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COST

European cooperation
in the field of scientific
European Commission and technical research

COST 507
Definition of thermochemical and
thermophysical properties to provide a
database for the development
of new light alloys

Thermochemical database for


light metal alloys

Volume 2

EUR 18499 EN
EUROPEAN COMMISSION

Edith CRESSON, Member of the Commission


responsible for research, innovation, education, training and youth

DG XII/B.1 RTD actions: Cooperation with non-member countries


and international organisations European Economic Area, COST,
Eureka and international organisations

Contact: Mr Peter Lobotka


Address: European Commission, rue de la Loi 200 (SDME 1/44),
B-1049 Brussels Tel. (32-2) 29-65512; fax (32-2) 29-65925
COST
European cooperation
in the field of scientific
European Commission and technical research

COST 507
Definition of thermochemical and
thermophysical properties to provide a
database for the development
of new light alloys

Thermochemical database for


light metal alloys

Volume 2
Edited by
Ansara, A. T. Dinsdale, M. H. Rand

July 1998

EUR 18499 EN
LEGAL NOTICE

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is responsible for the use which might be made of the following information.

A great deal of additional information on the European Union is available on the Internet.
It can be accessed through the Europa server (http://europa.eu.int).

Cataloguing data can be found at the end of this publication.

Luxembourg: Office for Official Publications of the European Communities, 1998

Volume 2: ISBN 92-828-3902-8


Volumes 1 to 3: ISBN 92-828-3900-1

European Communities, 1998


Reproduction is authorised provided the source is acknowledged.

Printed in Belgium
COST 507
COORDINATION GROUP C

Final Report Round 2


July 1998

Partners in Coordination Group C, whose results are presented in the pages of


this report, are:

Lehrstuhl fr Theoretische Httenkunde und Metallurgie der


Kernbrennstoffe, RWTTI Aachen, Germany

Max-Planck-Institut fr Mctallforschung, PML, Stuttgart, Germany

Laboratoire de Thermodynamique et Physico-Chimie Mtallurgiques,


INPG - ENSREG, St.Martin - d'Hres, France

Istituto di Chimica Generale, Universit di Genova, Genova, Italy

Senter for Industriforskning, Blindem, Oslo, Norway

Division of Physical Metallurgy, Royal Institute of Technology, Stockholm,


Sweden

Laboratory of Materials Processing and Powder Metallurgy,


Helsinki University of Technology, Espoo, Finland

Centre for Materials Measurement and Technology, National


Physical Laboratory, Teddington, U.K.

Institut fr Physikalische Chemie, Universitt Wien, Austria

GTT - Technologies, Herzogenrath, Germany


INTRODUCTION

The COST-Action 507 has the official title:

Measurement and Evaluation of Thermochemical and Thermophysical


Properties to Provide a Database for the D e v e l o p m e n t of N e w Light
Alloys

There are 14 signatory countries to the Action, which had an official commence
ment date on January 1, 1990.

The countries concerned are:

Austria Germany Norway Switzerland

Belgium Greece Portugal United Kingdom

France Italy Spain

Finland Netherlands Sweden

In addition, the Baikov Institute of Metallurgy, Moscow (Russia) is taking part


in the Action.

The work of COST 507 is shared amongst partners in 4 Coordination Groups


whose areas of interest are:

Coordination Group A : Experimental measurement of thermochemical


properties

Coordination Group : Critical compilation and assessment of constitutional


data prior to thermodynamic calculation

Coordination Group D : Experimental measurement and compilation of


thermophysical data
Coordination Group C, whose work is presented in this report, is concerned with
the general theme:
Critical thermodynamic evaluation of relevant binary, ternary and higher-order
alloy systems to produce a set of optimized coefficients for the light metal alloy
database.

The evaluations of Group C incorporate experimental data from Group A and


Group D partners, and use the critically compiled constitution data from Group
as basis for the evaluation work.
Using this computer database, which is now in an impressive state of develop
ment, it will be possible to calculate the phase equilibria to be expected in complex
light alloy systems as a function of a wide range of compositions and temperatures.
For example calculation can be made of liquidus and solidus temperatures, crystal
lization paths for equilibrium and non-equilibrium conditions, nature and amounts
of precipitated phases, enthalpy effects associated with phase transformations, etc.

The rapid accessibility of such information will considerably assist the design,
manufacture and utilization of a wide range of different alloy types.

The alloy systems towards which the experimental and evaluation work is being
directed, together with some major applications, are listed below:

Al-Mg-Mn-Fe-Si : cans

Al-Mg-Si-Cu (-Fe) : extrusions, automobiles

Al-Zn-Cu-Mg (-Zr,Cr,rare earth metals) : aerospace, transport

Al-Li-Cu-Mg-Zr (-II) : airframes

Ti-Al-Mo-Zr (Cu,B,C,N,0,Si) : gas turbines

Ti- (-V,Cr,Mn,Ni,Fe,Nb), (B,C,N,0,Si) : gas turbines

EVALUATION PROCEDURE

Bearing in mind the alloy categories defined by industrial partners at the begin
ning of the Action, a matrix was drawn up to define the binary systems forming the
building blocks for the evaluation of higher-order systems. These binaries were then
allocated to the different partners in Group C for evaluation.

All partners made use of the selected data for the elements published by A.T.
Dinsdale ' on behalf of SGTE.

There was also agreement amongst partners with respect to the modelling of par
ticular phases so that consistency could be maintained on proceeding from binary to
higher-order systems combining evaluations originating from different laboratories.
All results were prepared in exactly the same format to facilitate exchange of data
and to provide a standard format for computer storage of the data by the database
manager, Dr.Ansara, in Grenoble.

Evaluations to produce optimized sets of coefficients were carried out using one or
' A . T . Hinsdale, Calphad, 15, 4, 317-425 (1991).
both of t h e two p r o g r a m s Bingss/Tergss w r i t t e n by Lukas 2 and Parrot developped
3
by Jansson contained in t h e Thermo-Calc d a t a b a n k system 4 .

T h e s e p r o g r a m s m a k e use of e x p e r i m e n t a l t h e r m o d y n a m i c and p h a s e d i a g r a m
d a t a , which are fed in as m e a s u r e d values with error limits. Using defined models for
t h e different phases of t h e s y s t e m s concerned, o p t i m i z e d coefficients a r e p r o d u c e d
which p e r m i t a self-consistent description of t h e t h e r m o d y n a m i c p r o p e r t i e s and t h e
p h a s e b o u n d a r i e s of t h e alloys.

For some alloy s y s t e m s t h e available e x p e r i m e n t a l information is very scarce or


unreliable. In such cases, only a p a r t of t h e s y s t e m m a y have been dealt w i t h . In
other cases, recourse m a y have had to be m a d e t o e s t i m a t i o n p r o c e d u r e s to obtain
i n p u t d a t a for t h e o p t i m i z a t i o n process. T h e accuracy of t h e calculations involving
these d a t a will consequently be reduced.

T h e following pages present in s u m m a r i z e d form a c o m p l e t e description of t h e


evaluation work carried o u t by t h e p a r t n e r s in C o o r d i n a t i o n G r o u p C d u r i n g t h e
course of R o u n d 1 and 2 of C O S T 507. T h e brief r e p o r t s for each s y s t e m contain a
calculated phase d i a g r a m , information on t h e s t r u c t u r e s of t h e phases in t h e s y s t e m .
T h e t h e r m o d y n a m i c coefficients used to p r o d u c e t h e calculated information are also
given.

2
H.L. Lukas, J. Weiss, and E.-Th. Henig, Calphad, 6, 229-251 (1982)
3
B. Jansson. Ph. D. Thesis, (1984), Div. Phys. Met., Royal Inst. Tech., Stockholm, Sweden.
"B. Sundman, B. Jansson, and J.-O. Andersson, Calphad, 2, 9, 153-190 (1985).
ACKNOWLEDGEMENTS

The members of Coordination Group C express their sincere thanks to the fol-
lowing sponsors of their work:

A : Austrian Ministry of Science, Research and Traffic

D : Bundesministerium fr Forschung und Technologie

F : Pechiney, Centre de Recherches de Voreppe


Ministre de la Recherche et de la Technologie

N : Hydro Aluminium A/S


ELKEM Aluminium A/S
Norsk Hydro A/S
NFR

S : NUTEK, Swedish Board for Industrial and Technical Development

SF : Tekes (Technical Development Centre)


Outokumpu Research

UK : Rolls Royce pic


Alean International - Banbury Laboratories
DERA
AEA Technology, Harwell
T & N Technology Ltd.
Department of Trade and Industry
Anglo Blackwells Ltd.
Table of Contents

T h e r m o d y n a m i c Modelling 1

Binary Alloy S y s t e m s

Al -B 15
Al-C (revised) 18
-Ce (revised) 20
Al-Cr 23
Al-Cu 28
Al-Fe 34
Al-Li 40
-Mg (Round 1) 44
-Mg (revised) 48
Al-Mn (revised) 54
Al-Mo 59
Al-N 65
Al-Nb (new) 69
Al-Nd (revised) 75
-Si (revised) 79
Al-Sn 81
-Ta (new) 83
Al-Ti 89
Al- V 95
Al-Y 99
Al-W (new) 103
Al- Zn 109
Al-Zr 112
B-C 117
B-Hf (new) 120
B-N 123
B-Si 126
B-Ti 129
C-Si (revised) 132
C-Ti 134
Ce Mg 137
Cr-Cu (revised) 141
Cr-Mg 143
Cr-Mn 145
Cr-Si 149
Cr-Ti 153
Cr-V 156
Cr-Zn 158
Cr-Zr 161
Cu-Fe 165
Cu-Li 168
Cu-Mg (revised) 170
Cu-N 175
Cu-Si (revised) 178
Cu-Y 182
Cu-Zn (revised) 186
Cu-Zr 192
Fe-Mg 195
Fe-Mn 197
Fe-Si 200
Fe-Ti (new) 205
Hf-T (new) 208
Li-Mg 210
Li-Zr 213
Mg-Mn 215
Mg-Ni 218
Mg-Si (revised) 221
Mg-Y 224
Mg-Zn (revised) 227
Mg-Zr 234
Mn-Si 236
Mn-Ti 241
Mn-Zr 245
Mo-Ti (new) 249
N-Ti (revised) 253
Nb-Ti (new) 256
Ni-V 261
Si-Sn 264
Si-Ti 266
Si-V 270
Si-Y 274
Si-Zn 278
Si-Zr 280
Sn-Ti 284
Sn-Zn 288
Sn-Zr 290
Ta-Ti (new) 293
Ti - V 297
T i - W (new) 299
V-Zr (new) 303
T e r n a r y Alloy S y s t e m s

Al-C-Si 307
Al-Cu-Li 309
Al-Cu-Mg 311
Al-Cu-Si 315
Al-Fe-Mn 316
Al-Fe-Si 319
A]-Li T Mg 322
Al-Mg-Mn 325
Al-Mg-Si 327
Al-Mg-Zn 329
Al-Mn-Si 333
Al-Mo-Ti 336
l-N-Tj 339
Al-Nb-Ti 342
Al-Si-Zn 346
Al-Sn-Zn 347
Al-Sn-Zr 349
Al-Ta-Ti 351
Al-Ti-W 354
B-Hf-Ti 357
Cu-Mg-Y 359
Cu-Mg-Si 360
Cu-Mg-Zn 363

Appendices

Appendix I: Thermodynamic properties of the Pure Elements 371

Appendix II: Magnetic Properties of the Elements 395


Thermodynamic Modelling

I. Ansara and N. Dupin

Introduction

Standard CALPHAD procedures were used to assess the binary and ternary
systems defined in the COST507 project. In Round 1, binary systems have been
assessed. Several ternary systems have been analysed during Round 2.

In many ternary systems, the three pure elements exhibit different stable crystal
structure. Hence data for metastable binary solutions have been obtained and are
presented in the tables.

In these systems, there are also many binary phases stable on one binary edge
which extend into the ternary system but not all the way across to the other binary
edges, (for example, the Laves-C15 in the Cu-Mg-Zn system or the AIM-D0| 9 in
the Al-Ti-X (X=Mo, Nb, Ti, W) systems). Thus to model the intrusion of these
phases into the ternary systems, the Gibbs energies of the metastable counterparts
of the intruding phase must be defined in the other binary system(s). This means
that when the data of these binary systems are retrieved, there will be data for these
metastable "counterparts".

As the number of ternary systems increases, the number of metastable solution


phases or counterphases will increase sharply and this may lead to increasing com-
puting time and possible problems due to metastable equilibria which may appear
during the calculation.

The main characteristics of each system are given in individual chapters which
include:

a summary of the various stable and metastable phases defined in the system,
the thermodynamic model used to decribe their thermodynamic properties,
the name of the assessor and the reference of the publication in which the
evaluation is described,

the thermodynamic properties of the compound and solution phases,

for the binary systems: the phase diagram,

for the binary systems: a table giving the invariant reactions,

a table presenting the crystal structure for each phase in a given system, the
structural type, the Pearson Symbol and space group as well as the occupation
of the sublattices and comments when necessary. This information is taken
from Massalski et al. [90Mas] and Villars et al. [91 Vil].
Thermochemical Database for Light Metal A lloys

In Appendix I, the thermodynamic functions for the elements in stable or metastable


states are listed as a function of temperature. For magnetic ordering the functions
are given in Appendix II.

T h e r m o d y n a m i c Description

Elements

The Gibbs energy of the pure element i, Gf(T), referred to the enthalpy for its
stable state at 298.15 K, tff(298.15K), is denoted by GHSER,. This quantity is
described as a function of temperature by the following equation:

GHSER, = Gf(T) - tf*(298.15 K)


= a-rbT + cT-\nT + dT2 + eT3 + fT-l+gT' + hT-9 (1)

The first and second derivatives of this quantity with respect to temperature
are related to the absolute entropy and heat capacity of the compound at the same
temperature. Experimental values for heat capacities can thus be directly used in
the optimisation and will be related to the coefficients c,d,e,f,g and h.

For elements which display a magnetic ordering (Cr, Fe, Ni and ),the term
GHSER will be referred to a paramagnetic state. The magnetic contribution is
treated explicity. An additional term is thus added to the molar Gibbs energy of
the magnetic phase.

For elements as well as for solutions, this term is equal to:

Gm*s = RT\n( + l)f(r) (2)

where is /' , T' being the critical temperature for magnetic ordering (Curie
temperature Tc for ferromagnetic materials or the Nel temperature TN for antifer
romagnetic materials), and the average magnetic moment per atom of the alloy
expressed in Bohr magnetons.

The function f () is given as:

r < 1 : f(r) = 1 [79"740 + (474/497)(l/p - l ) ( r 3 / 6 + r 9 /135 + r 1 5 /600)]M

>\ : / ( ) = - [ r - 5 / 1 0 + r - ' 7 3 1 5 + 7- 2 7500]/

with A = 518/1125 + (11692/15975)(l/p - 1).

These equations were derived by Hillert et al. [78H1] from an expression of the
magnetic heat capacity C*s proposed by Inden [81Ind].

The value of depends on the structure. For example, is equal to 0.28 for fee
and hep metals and 0.40 for bee metals [81 Ind].
Thermochemical Datahase for Light Metal A lloys

For each element, equation 1 is taken from the SGTE database [91 Din]. These
equations and the magnetic parameters for pure elements are given in Appendices I
and II.
The function GHSER, is also often used to express the thermodynamic functions
of a structure " different from the stable structure of the pure element. The ex
pression G' V "(T) tf'*(298.15K) is equivalent to G%'v'(T) G'*(T) + GHSER,.
The term G'v (T) G (T) is often called the lattice stability of element i.

Binary Compounds

The Gibbs energy of formation of the compound A a Bb is expressed as:

GA,Bb(T) -
#7*(298.15 K) 6 H0/(298.15 ) = f {) (3)

The expression for f () is identical to that given by equation 1.

Equation 3 can be transformed by applying equation 1 for each component

f(T) = GA aBl,(T)~ G"/(T)-b G/(T) + Gl\SERA +b GUSERB


= A / G ^ B b + GHSER,, + 6 GHSER (4)

The term A /GA tBb(T) is the Gibbs energy of formation of the compound referred
to the stable elements at temperature T.

Gaseous species

An expression identical to equation 3 is used to describe the Gibbs energy of


formation of the gaseous species with the additional RT In term, where is the
total pressure. The gas phase is assumed to form an ideal solution. The reference
state for each vapor species is taken to be the pure component at 0.1 MPa pressure.

Condensed phases

1: Substitutional solutions:

For the substitutional solution , the Gibbs energy of mixing is expressed as


follows:

G m = G*M + G*'XB (5)


with

G*'id = RT >,lnx; (6)

The Redlich Kister equation [48Red], a power series expansion, is used to


express the excess Gibbs energy, G* ,x ', as follows:
Thermochemical Database for Light Metal Alloys

GIT = *i*i Ltfixi-xj)' (7)


i/=0

, is the molar fraction of component i with =


L The model parameter Af
ean be temperature dependent as follows:

j:. = y'iV'Mo -rOoT + coT- 1(, + 6 , ) ( ^ yj.)] (8)


For a ternary solution, the excess Gibbs energy is expressed as follows:

G* = ? ' L"'* (*t - *r (9)


If experimental information relative to ternary solutions are available then an
extra term can be added to 9. For a ternary system ABC, this term is equal to:

XAXBXC(OIXA + a2xB + a3xc.) (10)

For magnetic alloys, the composition dependence of Tc and are expressed by:

r;(z) = y>,rf + T ; (ii)


i
() = + *' (12)

where '' and *' are both represented by an equation similar to 7.

2: Ordered Phases:

The use of the sublattice model, developed by Hillert and Staffansson [70]
based on Temkin's model for ionic solutions [45Tem] and extended by Sundman
and gren [8lSun], allows a variety of solution phases to be treated, in particular
ordered phases.

As nonstroichiometric phases are formed by several sublattices, they can be


schematically described as follows:

(A B ...)p(A B ...)....

where the species A, B , . . . can be atoms, vacancies or ions on the different sublattices
', ", .... The number of sites are p, q, ... If + q + ... = 1, then the thermodynamic
quantities are referred to one mole of sites.

For each sublattice s, the site fraction of the species i is equal to

y' = ^r, = i with


/.? = 1 and
"* = " (is)
where n' is the number of species i in sublattices, n' the number of sites in sublattice
s, and the total number of sites, n' is related to by n' = p/(p + q + ...). The
Thermochemical Database for Light Metal A lloys

number of sublattices and the species occupying them, is generally obtained from
crystallographical information.

This model also describes stoichiometric phases, in which case the sublattices
are occupied by a single atom, and substitutional phases which only contain one
sublattice.

The molar Gibbs energy expressed by the sublattice model is equal to

Gm = G"! + Gid + CTX (14)


For a two sublattice phase taken as an example, with two elements A and in
each of the sublattices, the term G', which defines a surface of reference, is equal
to

G"' = y'A ylGA :A + y'^lGl-B + yyAG^A + ^ B ^ B (15)


The terms G A:A and G|. B represent the Gibbs energy of formation of the con
stituent elements A and B. The colon separates the different sublattices.

The terms GQA : and GB.A represent the Gibbs energy of formation of the
stoichiometric compounds A P B, and B P A,, which may be stable or metastable.

The term G is related to the molar configurational entropy and is equal to:
d
G' = R T[p{y'A lny'A + y'Blny'B) + q{y"A lny"A + y'Blny'B)) (16)
xs
Finally, the excess Gibbs energy G is equal to

G"" = yA!/B[yLA,B:A + yBA,B:B]


+ yA!/B[/AA:A,B + y B B:A,B]
+y!/ByAyBLA,B;A,B (i7)

The terms L, J : , and L;;,,j represent the interaction parameters between the atoms
on one sublattice for a given occupancy of the other, and can be described by a
polynomial, as follows:

.,,;.' = y,'y>o + b0T + (a, + 6,T)(y; y))] (18)

The above equations can be expressed for ternary systems and they become more
complicated when the number of species increases in each sublattice.

3. Orderdisorder transformation:

For the COST project, only the orderdisorder transformation relative to the
bcc.42 and bccB2 was considered. A unique function representing the Gibbs
energy is used to describe the thermodynamic properties of both phases as follows:

Gm = Gt'(xi) + AGZd(y) (19)


6 Thermochemical Database for Light Metal A lloys

where A G^d(y') and GJa(x,) are respectively the ordering energy, equal to zero in
the disordered state, and G*"(x,) the molar Gibbs energy of the disordered phase.
&GZd{y') s equal to:

AG^(y,s) = T,EyWA aG
:f + RTL2y;\nyl + b2yr\nyA
i j V i i /
: L L
+' y. ' ',Ba + y'Ay'iiy'A - y'n) y' ',B
i i
L
+yXyB yi lZi + yWaiv - y) y XB
t '

r
+yAyByAyBA ,B:A,B (20)

( J J ' ( I ) is given in the RedlichKister formalism by equation 7. x, and y' are


the molar fraction of element t in the phase and its site fraction in sublattice s
respectively.

To ensure stability of the disordered phase, the first derivative of G m with respect
to the site occupation must be zero for any given composition. This condition and
the fact that the ordering energy is zero for disorder leads to constraints between
the thermodynamic parameters describing ordering [88Ans]. Using these constraints
and converting the Gibbs energy of the disordered state into the sublattice formal
ism, allows to express the whole Gibbs energy of both phases (A 2 and P>2) in the
sublattice formalism as follows:

G"(T) - /''(2985 ) = G(A:A) = GREF A


G ( r ) 0 . 5 # ^ ( 2 9 8 . 1 5 K ) 0.5 ^(2985 ) = G(A:B) =
0.5 G R E F A + 0.5 G R E F A + A<GAr:B + { LA %

G"(T) 0.5 tfA'ref(298.15 K) 0.5 "'{298.\5 ) = G(B:A) =


0.5 G R E F A + 0.5 GREF A + A GX& + { LA %'

G(T) "'(2985 ) = G(B:B) = GREF B


rO 0 A os-Ord ri,of d . \ rO,dia . 3 ri,dia , 3 r2,dis
L
^A,B:A ^:, ~ ~
<-: ~ ^ A , B : A + 4 A , B + i L A , B + L
A,B

1 _ ri _ Lord , 1 ri,dia 1 4 rl.dit


L
^A,B:A - ^A:A,B ~ ^A,B:A + S ^ , + A,
2 _ 12 _ 1 j2,dit
^,: ^:, ^ ,

_ rO Korsord rl.ord , 1 rO.dia 3 rl.dia , 3 ,7./1.


^,: ^B:A,B * <-: + ^ , : + L A , B ~ 8 ^ , + ^ A . B

rl rl rl,ord . ] rl,die 4 r2,d8


^A,B:B ^B:A,B ^A,B:B + 4 L A ~ 8 ^,

r2 _ 2 _ 1 r2,di
_
^A,B:B ^B:A,B ^ ,

A,B:A,B = 4LA'B:A 4 L A ' R . B A B ' (2


Thermochemical Database for Light Metal A lloys

w h e r e 7 : , L A ' :A , ^A'B:B are


the independent ordering parameters and LA B,
and are
^A',B*> ^A',B*[ ' ] parameters of the disordered state.
In the binary systems Fe, CuMg, CuZn, FeSi and MgZn, the equations
21 were used with ' and e 9 u a l to zero.
In a ternary system ABC, the relations 21 stand for each binary system. More
over, the following constraints have to be fulfilled:

ru rO rO.ord , 1 rO,dia 1 / rl.dia , rl,dia\


J
*:, ^,:0 ^ A , B : C "+" 4 ^ , " 8 V A,C "+" B,C I

, 1/2 j2.dia . r2,dia\


+ 16 y ^ A , C + ^B,C )

rO rO rO.ord . 1 r Q.dia 1 / l,dia rl,dia\


^BiA.C ^A.CiB ^A,C:B + 4 ^ A , C " 8 \ LA ' h
B,C I

1 1/2 / r2,dia . T2,dia\


+ 16 y ^ , + ^B.C I

rO 0 rO,ord . 1 t), 1/1.1 i l / rl,dia , rl,dia\


L
^:,0 ^B.CiA ^A:B,C + 4 ^B.C + s ^, + A ,C I

. 1/2 / r2,dia . r2,dia\


+ 16 \ ^ , + ^A.C )

ri _ r 1 _ ' Drt' 1 1 r ' *'*


L
^CiA.B A,B:C ^.:0 + 8 ^,

1/2 / i2,di'j 2,dia\


~ 16 l ^ A . C ~ ^ B . C I

ri ri ri,ord . \ ri,dia 1/2 1 j2,dia r2,dia\


' J B:A,C ^A,C:B ^A.CtB + 5 ^A.C " 16 ^ , ^B,C /

il _ ri _ rl.ord . 1 rl,dia 1/2 / r2,dia r2,dia\


L
^:,0 ^,& B,C:A + 8 ^B.C 16 \ ^A.B ^A,C J

[2 _ r2 _ 1 r2,.3
^CtA.B ^,:0 Ti ^ ,

2 _ 12 _ 1 r2,dis
/
:,0 ^A.CiB ^A,C

2 _ f2 _ 1 r2,d>3
^:,0 ^B,C:A Ti ^ B , C

f A ccord ostord A ofiord rO,ord rO, ord


^A,B:A,C A,C:A,B " ^ : AT_rA:C A T r B : C L A B : C " L A C.B

_ rO.ord . rl.ord rl.ord , ri,ord r l ,ord


^B.A + ^,: ~ ^A.BiC + ^A.CtA ~ ^A,C:B

2,citi ., rF r2,dia
1 / c r2,dia r2,dts ..
r, i2,(,a\
r2,dia\
16 ^, + ^A.C + Z ^B,C I

'In the tables, the following substitutions were made: AG A r g = G A . B : D , 4 L A J = A B ,


1 r l.dia _ ,1 1 ,2,di _ r 2
L
8 ''A.B A , B ' T6 L A , B '^,
Thermochemical Database for Light Metal A lloys

r _ r _ AO/tord A a^ord Aoford rO.ord rO.ord


'A,B:B,C B,
C :A,B ~ AXrA.B A T J A . C t i B . c L A B . C L A ,C : B

O,ord . r i , ord rl,ord , rl,ord rl,ord


B,C:A + ^,: ~ ^,:0 + ^B,C :A ~ ^B,C :B
2,di ,.
l r c r2,d\a 2.dis
il.dxs ..
c r2,di<\
r2,dtj\
Ti l ^, L ^A.C ^B,C I

\es~iord Aoford A<V~Ord rO.ord rO.ord


B,C:A,C ^A,C:B,C = -
*-: ~ X,A:C AX,
B:C _
A,B:C ~ ^,0:

rO.ord . ri,ord ri,ord , ri,ord r l.ord


^,0: + ^A,C :B ^A.
C Ci + ^,0: ^B.C

I / o r 2, , (. r2,dia , c r2,di5\
~ l Z ^A.B + ^A.C + ^B.C /

1 / o f2,di . o r2,d \
<A:A,B,C = A,B,
C :A = 32 l LA,B + *M,C J

1 r o r2,di . Q l2,di \
B:A,B,C = A,B,
C :B = 32 \ LA,B + J LB,C )

C:A,B,C = A,B,
C C: L 3 / 9 2.* Q / 9 2 * \

A,B:A,B,C = A,B,
C :A,B = 0

A,C:A,B,C = A,B,
C :A,
C = 0

B,C:A,B,C = >A,B,
C :B,B = 0

A,B,C:A,B,C = 0 (22)

...U rO,ord rO,ord rO,ord l.ord l.ord l.ord ,1 j j . .


L a r e t h e
where LA B:C, AIC:BI B,C:A> A,B:C A,C:B> B,C:A independent ternary
parameters of ordering.
In the ternary system CuMgZn, the regular interaction parameters A 'B ; CI
LAQ.B and B'C:A' w e r e taken respectively identical to -? : , - AXJAfc and -
AX?B:C, and the sub-regular terms A ' iB:C , LA .B and LB:A ea , ua l to zero like in
the corresponding binary systems.

Neverthless, the use of this sublattice formalism to describe the order disorder
transformation requires the conversion of the parameters of the disordered state into
the sublattice model which is cumbersome. A new treatment of the orderdisorder
transformation was introduced later on by Sundman [9lSun] where G m is expressed
as follows :

G m = Gf{xi) + A C ^ f , y;') A Gri'(xi, ,) (23)


with

Gf(xi) = 'i f + RT Xi In Xi + AL %'(A I B ) " (24)


Thermochemical Database for Light Metal A lloys

^cri'{yi yr ) = y^y]A G:f + RT ( y;1 y; + b y."1 y.")


i j V t /

+yXyi3 y." A,B!* + yyisy yi,) yi' A,B:"
I i
L
+yXyB y ATB* + yyB(y'A - yi\) y'< <ZB
i i
+yXyByXyB ,', (25)

AG or,, *(x,X;) =
'
; &GZf' + RT f a ^ x . l n x . r ^ x . l n x , )
t j \ i i /
V^ r O,ord* . / \ V^ r l.ord
+ Z A ^ B 2 ^ Xi LA ,B:i + ^A^Bl^A ~ X) ^ Z ^A,B:i'
i i
V^ rO.ord* , / \ V^ r l.ord*
X L X
+ X A ^ B ^ :A,B + ^ A ^ B ( ^ A ^ B ) 2/ ' ^":,

i i A i B i A i B LA B:A B (26)

Hence, the disordered and ordered phases can be treated separately. The pa
rameters of the disordered phase, L"A B, and those describing the ordering AGAr.B*,
^ABi'i L"ArB* and L A B . A B are introduced as usual thermodynamic parameters of
the sublattice model and a special command then allows their combination to define
the expression of the orderdisorder sublattice following equation 23.

Constraints must still be introduced between the thermodynamic parameters of


the function A G(y\,y') to ensure stability of the disordered state. But the value
zero for the ordering energy is now built in. This allows to simplify the expression
of the constraints linking the ordering parameters.

The ternary systems AlTi(Mo,Nb,Ta,W) were assessed with equation 23 as


suming

/^rord* A 0/rord

iO.ord rO.ord r O,ord
^i-.j = L-y.i = -Li,j:i ~~Li,r.) =-Li,j:k
LO,ord* rO.ord* rO.ord* / \
: = ~Lyi. = -Lk:i,3 = ij (27)
These relations are identical to 21 and 22 when disordered parameters are not
considered and subregular ordering terms are zero. The use of equation 23 allows
a simpler but mathematically equivalent description with only two ordering param
eters:

A o G ord. _ **> -tan (28)

When such simplication is possible, the two descriptions (the original using equa
tions 27 and the modified using equations 28) are presented in this report.

For sake of uniformity, the descriptions using the sublattice model with the
constrainsts 21 and 22 were also converted for use of equation 23 in the simpler way
possible .
10 Thermochemical Database for Light Metal Alloys

Only the parameters derived from the simpler description are in the database.
In this report, they are presented in a frame. An example is shown hereunder for a
binary system.

Phase bcc-B2

G(T) - WA,r<!f(298.15 ) = G(A:A) = 0.0

G{T) -- 0.5 tfA'ref(298.15


) - 5 '"'(2985 ) = G(A:B) == 2.0 GZ'

G(T) - 0.5 //<:(298.15 ) - 0.5 tfB'ref(298.15 ) = G(B:A) =-- 2.0 GZ'

G(T) -- tf'rer(298.15 ) = G(B:B) = 0.0

Phase bcc-/42

G(T) -- i/A'ref(298.15 ) = GREF A

G{T) -- ffB,ref(298.15 ) = GREF B


r D.(lis
*,: = 4 A,B
1 I ,die
8
^A.B-.O = A,B
r 2,dis
^,:0 = 16 ,
Thermochemical Database for Light Metal Alloys 11

Bibliography

[45Tem] M. Temkin, Acta Phys. Chim., 20, 411 - 420 (1945).


[48Red] 0 . Redlich, and A. Kister, Ind. Eng. Chem., 40, 345 - 348 (1948).
[701] M. Hillert, and L. - I. Staffanson, Acta Chem. Scand., 24, 3,
6 1 8 - 3 6 2 6 (1970).
[78H1] M. Hillert, and M. Jarl, Calphad, 2, 3, 227 - 238 (1978).
[81Ind] G. Inden, Physica, 103B, (1981) 8 2 - 1 0 0 (1981).
o

[81Sun] B. Sundman, and J. gren, J. Phys. Chem. Solids,


42, 2 9 7 - 3 0 1 (1981).
[88Ans] I. Ansara, B. Sundman, and P. Willemin, Acta Metall.,
36 9 7 7 - 9 8 2 (1988).
[91Din] A.T. Dinsdale, Calphad, 15, 4, 3 1 7 - 4 2 5 (1991).
[90Mas] T.B. Massalski, H. Okamoto, P.R. Subramanian, and L. Kacprzak,
"Binary Alloy Phase Diagrams", (1990), 2nd. Edition,
ASM International, Metals Park, U.S.A.
[91Sun] B. Sundman, ThermoCalc Newsletter, 12, Division of Physical
Metallurgy, K H T , - 100 44 Stockholm, Sweden (1991).
[91V1] P. Villars, and L.D. Calvert, "Pearson's Handbook of
Crystallographic Data for Intermetallic Phases", (1991), ASM
International, Materials Park, Ohio, U.S.A.
BINARY SYSTEMS
Svstem - 15

System A l B

Solution Phases:
Liquid, fcc,41
Compounds:
A1B2, AIB,2L, A1B.2H
Modelling:

Liquid Substitutional, RedlichKister


fee.41 Substitutional, RedlichKister
AIB2 Stoichiometric, (A1)(B)2
A1B12L Stoichiometric, (A1)(B), 2
A1B.2H Stoichiometric, (A1)(B), 2

Assessor and Date:


H.L. bukas 1992

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A1B 2

G(T) - IlA c-M (298.15 ) 2.0 o.fl-rhombo-B^gg


' 1 5 , _

- 85808.76 f 45,16923 f GHSER A , + 2.0 GHSER B

Phase A1B, 2 L

G"{T) //i r '" r_/i, (298.I5 K) 12.0 // B ' /? r '"" nbo R (298.15 K) =

198290.69 + 33.68638 T + GHSER + 12.0 O H S F . R R

Phase , 2

G"(T) /VA',fcc'41(298.15 K) 12.0 /7 B s/, rhomb B (298.15 K) =


75292.23 33.66376 + G H S E R A I + 12.0 GIISERR
Phase f e e / I l
O.frc-Al
.: 12242.44 1.74891
16 Thermochemical Database for Light Metal A lloys

Phase liquid
1
"A\M = - '2671.16 + 1.81016

/r'AilBUH = 31988.28

/'A'H"'"1 = 15873.74

3000

2600-

O
g 2000

*->
CD

CD
D . 1500
E
o
1000

600

1000

990-

980-

970- Liquid Liquid + A B j

<D 960-

*->
CO 950
\ 940
o
o.
E 930
o
920
fccvl1 fcc- + A B j
910-

900

Al xB 1 0
System A l-B 17

Table I Invariant Reactions.

Reaction Type Compositions xj /

Liquid + AIB2 ^ foc Peritectic .003 .667 .0007 935.0


Liquid + AIB12L T=i AIB2 Peritectic .019 .923 .667 1245.8
AIB, 2 L r AIB12H Polymorphic .923 .923 1826.2
Liquid ? A1B,2H + /? rhomboB Eiitectic .988 .923 1.000 2336.0
A1B,2H ^ Liquid Congruent .923 .923 2448.0

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlB (Al) Cu M 4
Fm3 m

() /?rhomboB

, , 0C88 not assessed


Cmcm

A1B12L A1B,2 oP384 ! 2


2\22 in [90Mas]

A1B,2H A1B,2 IP216 AIB12/3


Ph2i2 in [90Mas]

AIB2 A1B2 hP3 Al 1


6/mmm 2
18 Thermochemical Database for Light Metal A lloys

System AlC

Solution Phases:
Liquid, fccyll
Compound:
AI<C3
Modelling:

Liquid Substitutional, RedlichKister


(cc.-A\ Sublattice model , (A1)(C,0)
AIC 3 Stoichiometric, (A1).|(C)3

Assessor and Date:


J. Grbner, H. L. Lukas, and F. Aldinger.
Publication:
Calphad, 20, 2 (1996) 247254.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

P h a s e A1 4 C 3

G"{T) 4.0 // A f "' (298.15 K) 3.0 //' ' '"c(298.15 K) =


cc 41 ,r iph

286002.0 + 1030.273 161.709142 \ - 0.011523 2


f 2450000 " 1 + 707 3

Phase f e e A l

G(T) - ffA fc-M(298.15 ) //2' graphile (298.15 ) =


80 + G H S E R A I + GHSER<;

a" = 80
P h a s e graphite
^o.gr.phi,. = go

P h a s e liquid

,," = 40861.02 33.21138


System AI-C 19

3000 J I L J L

Liquid

2600-

<J> 2000-
3
+->
Q o

< graphite
Q_ 1500-
E
o
-
000-

fcc-
500

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 08 0.9 1.0

Table - Invariant Reactions.

Reaction Type Compositions XQ /

Liquid + graphite ^ AI4C3 Peritectic .198 1.000 .429 2429.0


Liquid ^ fcc-/1l + AI 4 C 3 Degenerate .000 .000 .429 933.5

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Croup lattices

Al-C (Al) Cu cF4 M 4


Fm3m

(C) graphite

AIC3 AI4C3 7 Al, 2


mm AI2 2
C, 1
C2 2
20 Thermochemical Database for I/ight Metal A lloys

System AlCe

Solution Phases:
Liquid, bcc,42, (cc-A l
Compounds:
Al,,Ce 3 , Al 3 Ce, AlCe, AlCe 2 , Al 2 Ce
Modelling:

Liquid Substitutional, RedlichKister


bcc-A2 Substitutional, RedlichKister
kc-A] Substitutional, RedlichKister
AlCe3 Stoichiometric, (Al)n(Ce) 3
Al 3 Ce Stoichiometric, (Al) 3 (Ce)
Al 2 Ce Stoichiometric, (Al) 2 (Ce)
AlCe Stoichiometric, (Al)(Ce)
AlCe 2 Stoichiometric, (Al)(Ce) 2

Assessor and Date:


G. Cacciamani, G. Borzone, R. Ferro
Publication:
revised 1997

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase Al n C e 3
CC M
G(T) - 11.0 HA - (298.15 K) 3.0 H^*'(298.15 K) =
574000 + 179.3087 f 11.0 GHSERA, + 3.0 GHSERc
Phase Al 3 C e
1
G{T) - 3.0 /, (298.15 K) Hcc-A l (298.15 K) =
176000 I 54.97964 + 3.0 GHSERA, + GHSERC<:
Phase AlC e
CC M 0 CC M
G"{T) - HA - (298.15 K) H ~ (298.15 K) =
92000 + 33.90118 + GHSERA, + GHSERc.
System A l Ce 21

Phase AlC e 3

<7(7) lllfc-M(298.15 K) 3.0 / V ^ 4 1 (298.15 K) =


108000 + 41.3726 + GHSERA, + 3.0 GIISERo

Phase LavesC 15

G(T) - 2.0 // A i rcc 1l (298.l5 K) //f 0 41 (298.15 ) =


150000.0 4 45.66405 f 2.0 GHSERA, + GIISERo
Phase bcc/12
rO,bccA2 Qf\ nr,
L
AI,0:Q 01)1

Phase fee/Il
rO.rcr/ti
'JA\,Cr:0 80

Phase Liquid
0,liquid
''Al,Ce 167593.1 + 84.87628
r 1,liquid
''Al.Ce - 36060 + 5.89346

^Ce Ce
22 Thermochemical Database for Light Metal A lloys

Table I Invariant R e a c t i o n s .

Reaction Type Compositions > T/K

Liquid ^ tec-A i + AI,,Ce3 Eutectic .028 .000 .214 902.6


Liquid + LaveeC15 ^ Ali,Ce 3 Peritectic .179 .333 .214 1497.1
Liquid + LavesClS ^ AlCe Peritectic .619 .333 .500 1116.9
Liquid ^ AlCe + AICe3 Eutectic .704 .500 .750 911.3
Liquid F AICe3 + kc-A l Eutectic .854 .750 1.000 852.2
Liquid ^ bccj42 + fee^41 Polymorphic .956 1.000 1.000 1000.0
AI,,Ce 3 + LavesC15" ^ AI3Ce Pcritectoid .214 .333 .250 1408.0
l,avesC15' ^ Liquid Congruent .333 .333 1752.0

Laves-CIS AI2Ce

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Structural Pearson Symbol Sub-


Type Space Group lattices Comments

Al Ce (Al) Cu cF4 M 4
Fm3m

(Ce) Cu cF4 M 4
Fm3m

(Ce) W eli M 2
ImZm

AliiCe 3 - AI|,La 3 Immm polymorphic trans,


oIlS not considered

Al,,Ce3-/3 AI4Ba 14/mmm


tuo
Al3Ce Ni3Sn h PS
P6 3 /mmc

Al2Ce Cu 3 Mg cF14 Ce 8
Fdm Al 16

AlCe AlCe 0CI6 Al, 4


Cmcm Al2 4
Ce 8

AlCe 3 - Ni3Sn h PS Al 2 polymorphic trans,


PSi/mmc Ce 6 not considered

AlCe3 - 0 AuCu 3 cP Al 1
Pm3m Ce 3
System A l- Cr 23

System AICr

Solution Phases:
Liquid, bcc/12, (cc-A \
Compounds:
AlGr 2 , Al 4 Gr, Al 8 Cr 5 L, Al 8 Cr 5 H, Al 9 Cr 4 L,
Al 9 Cr 4 H, AlCr 2 , Al 13 Cr 2
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fccyll Substitutional, RedlichKister
AlCr 2 Stoichiometric (Al)(Cr) 4
Al4Gr Stoichiometric (AI) 4 (Cr)
AlgCr 5 L Stoichiometric (Al) 8 (Cr) 5 L
Al 8 Cr 5 II Stoichiometric (AI) 8 (Cr) 5 H
Al 9 Cr 4 L Stoichiometric (Al) 9 (Cr) 4 L
Al 9 Cr 4 II Stoichiometric (Al) 9 (Cr) 4 H
AlCr, Stoichiometric (Al)(Cr)2
Al l3 Cr 2 Stoichiometric (Al), 3 (Cr) 2

Assessor and D a t e :
N. Saunders, 1991
Publication:
based on the publication of N. Saunders and V.G. Riviin
in Z. fr Metallkde, 78, (11) 795801 (1987).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase AlC r 2
o,feeyli
G{T) - n (298.15 K) 2.0 // r bcc 42 ' para (298.15 K) =
32700.0 8.79 + GHSER A i + 2.0 GHSER Cr

Phase Al 4 C r

G(T) - 4.0 IIA icc-M (298.15 K) //2'rbcc"'42'p,*ra(298.15 K) =


89025.0 + 19.05 + 4.0 GHSER A , + GHSER C r
21 Thermochemical Database for Light Metal A lloys

Phase Al 8 C r 5 L

<7()8.0 /VA',fccAI(298.15K)5.0 r/'rbcc'42'para(298.15 ) =


229515.0+8.0 GHSERA1 + 5.0 GHSERCr

Phase AI 8 C r 5 H

C(T)8.0 /7i fcc_/,1 (298.15K)5.0 /Y'rbc<:'42'par"(298.15 ) =


147732.0 58.5 + 8.0 GHSERAI + 5.0 GHSER.C,

Phase Al 9 C r 4 L

G(T) - 9.0 H0A fc-M (298.15 K) 4.0 //c'rbcc_;42,pra(298.15 K) =

230750.0 + 16.094 + 9.0 GHSERA, + 4.0 GHSERo

Phase Al 9 C r 4

G"() 9.0 //A',fcc"A1 (298.15 ) 4.0 //rbcc"'42pr,*(298.15 ) =

134433.056.16 + 9.0 GHSERA| + 4.0 GIISERCr

Phase Al u C r 2

G(T) - 11.0 nA -cc-M(298A 5 K) 2.0 tfrbcc>,2'p,"'e(298.15 K) =

175500.0 + 25.805 T + 11.0 GHSERA1 + 2.0 GHSERcr

Phase Ali 3 C r 2

G(T) - 13.0 //ifcc"'"(298.15 K)Phase bcc,42


2.0 // bcc /,2 par
r " ' *(298.15 K) =
174405.0 + 22.2 T + 13.0 GHSERA, + 2.0 GIISERCr
rO,bcc-A2
,:0 = 54900 + 10 T
=

Phase cc-Al

rO.frc
''AI,Cr:0 45900 + 6.0 T

Phase liquid

/
'A!cr,iH = 29000.0

^i!criH = -nooo.o
System Al Cr 25

Al ^Cr Cr
26 Thermochemical Database for Light Metal A lloys

Table I Invariant Reactions.

Reaction Type Compositions *Cr

Liquid + Ali 3 Cr 2 ^ fee-A l Peritectic .002 .133 .003 934.8


Liquid + Al,,Cr2 F* Al, 3 Cr 2 Peritectic .009 .154 .133 1042.9
Liquid + AI4Cr ^ Al,|Cr 2 Peritectic .066 .200 .154 1214.6
Liquid + Al 9 Cr 4 L r=* Al4Cr Peritectic .137 .308 .200 1298.1
AI 9 Cr 4 H ? Al 9 Cr 4 L Polymorphic .158 .158 1333.0
Liquid + AlgCr 5 )l ^ AI 9 Cr 4 H Peritectic .225 .385 .307 1443.1
Liquid ^ AI 8 Cr 5 H + bcc,42 Eutectic .385 .383 .558 1597.0
AUCrsH ^ AlgCrsL Polymorphic .385 .385 1398.0
bcc,42 v Al R Cr s L + AICr2 Eutectoid .633 .385 .667 1139.3
AICr2 F bec-A l Congruent .667 .667 1181.0

Table II:a C rystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlCr (Al) Cu cF4 M 4


Fm3m

(Cr) W c/2 M 2
/m3m

AlCr2 MoSi2 /6 Al 2
I4/mmm Cr 4
Al 4 Cr AlCr mP180
P2/m

AI,iCr 2 AUCr mP48 also designated by


P2 Al 5 Cr in [90Mas]

AlgCrsL AlgCrs 26
R3m

AlgCrsH AlgCrs 26 indicated in [OOMas]

AlgCr 4 L c/52
/43m

Al 9 Cr 4 H indicated in [90 M as]


System Al Cr 27

Table II:b - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

302-/? A1V 7 mC104 Al, 2 also designated by


C2/m Al2 4 by Al 7 Cr in [90Mas]
Al3 4
Al4 4
Al5 4
Al6 4
Al? 4
Alg 4
AI9 4
, 8
Al,, 8
Al,2 8
Al, 3 8
AIH 8
Ah s 4
Al,6 4
Cr, 2
Cr 2 4
Cr 3 8
2S Thermochemical Database for Light Metal Alloys

System AlCu

Solution Phases:
(stable) Liquid, bcc-A2, fcc-Al
(metastable) hcp-,4.3

Compounds:
(stable) AlCu-i, AlCu-f, AlCu-r,, AlCu-0, AlCu-7(D8 3 )
AlCu-7(H), AlCu-C
(metastable) Laves-C14, Laves-Cl5, Laves-C36

Modellin

Liquid Substitutional, Redlich-Kister


bcc-A2 Substitutional, Redlich-Kister
fcc- Substitutional, Redlich-Kister
hcp-43 Substitutional, Redlich-Kister
MCu-6 Sublattice model, (Al,Cu) 2 (Cu) 3
AlCu-e Sublattice model, (Al,Cu)(Cu)
AlCu-r, Sublattice model, (Al,Cu)(Cu)
AlCu-0 Sublattice model, (Al)(Al,Cu) 2
AlCu-7(L>8 3 ) Sublattice model, (Al) 4 (Al,Cu)(Cu) 8
AlCu-7(H) Sublattice model, (Al) 4 (Al,Cu)(Cu) 8
AlCu-C Stoichiometric, (Al)g(Cu)n
Laves-C14 Sublattice model, (Al,Cu) 2 (Al,Cu)
Laves-C15 Sublattice model, (Al,Cu) 2 (Al,Cu)
Laves-C36 Sublattice model, (Al,Cu) 2 (Al,Cu)

Assessor and D a t e :
N. Saunders, 1991
Data relative to the Laves phases evaluated in Round IL
System Al-Cu 29

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase AlCu
<7(T)2.0 UA f - (298.15 ) 3.0 ^-
c A l
(298.15 ) =
106700.0 + 3.0 + 2.0 GHSERA, + 3.0 GHSERCu
Phase AlCue
G"(T) - IfA -cc-M(298A 5 ) //'ufcc/ll(298.15 ) = G(ALGu) =
36976 + 1.2 + GHSERA, + GHSERc
G'() - 2.0 //"cuCC_j4I(2)8.15 ) = G(Cu:Cu) = 2.0 GBCCCu
'.I = 760024 T
. = -72000
Phase AlCur;
G{T) - llA cc-M(298.15 K) / Y ^ " 4 1 (298.15 K) = G(ALCu) =
40560.0 + 3.14 T + GHSERA, + GHSERCu
G(T) - 2.0 //ufcc_'41(298.15 K) = G(Cu:Cu) = 2.0 GBCCc
C f t = 2574020 T
Phase AlCu0
G(T) - 3.0 //A,fcc_/U(298.15 K) = G(A1:A1) = 3.0 GBCCAI
G(T) 2.0 HA !rc-A i(298.15 K) I$*~M(298.15 K) = G(Al:Cu) =
47406.0 + 6.75 T + 2.0 GHSER A, + 1.0 GHSERc
rO.AICu0 0 0 1
'^ -r,.
AhAI-.Cu il

Phase AlCuC
G(T)-9.0 r/i fcc_/,1 (298.15K)11.0 /7cVufcc'41(298.15 K) =
420000.0 + 18.0 T + 9.0 GHSERAi + 11.0 GHSERCu
Phase AlCu 7 (D8 3 )
G(T) - 5.0 HA {CC-A l(298.15 K) 8.0 //'Ufcc_/U(298.15 K) = G(Al:Al:Cu)
300716.0 + 390.0 T - 52 T InT + 5.0 GHSERA!
+ 8.0 GHSERc
G(T) - 4.0 HA fc-M(298.15 K) 9.0 /V^41 (298.15 K) = G(Al:Cu:Cu)
280501.0 + 379.6 T 52 T InT + 4.0 GHSER
+ 9.0 GHSERc
30 Thermochemical Database for Light Metal A lloys

Phase AlC u 7 (H)

G"(T) - 5.0 irA fc-M (298.15 K) 8.0 Ii^~M (298.15 K) = G(Al:Al:Cu) =


219258.0 45.5 + 5.0 GHSERAI + 8.0 GHSERc
C70(T) 4.0 r/ A i fcc / " (298.15 K) 9.0 H^cc-A l{298.\5 K) = G(Al:Cu:Cu) =
200460.0 58.5 + 4.0 GHSERA, + 9.0 GHSERc

Phase LavesC l4

G(T) - 3.0 HA CC-M (298.15 ) = G(A1:A1) =


15000.0 + 3.0 GHSERAI
(7(T)2.0 // A ' l fcc ' 4, (298.15K) H^ucc-M(298.]5 ) = G(ALGu) =
15000.0 + 2.0 GHSERAI + GHSERc
G(T) - HA !CC-A i (298.15 K) 2.0 HCCC~M (298.15 ) = G(Cu:Al) =
15000.0 + GHSERAI + 2.0 GHSERc
G"(T) 3.0 HcuC~M(298.15 K) = G(Cu:Cu) =
15000.0 + 3.0 GHSERc
LA{C"A C ' 4 = 24000 + 2.44

L
Auc,uCi4 = 24000 + 2.44
Phase LavesCl5

G(T) 3.0 ffA cc-M (298.15 ) = G(A1:A1) =


15000.0 + 3.0 GHSERAI
G(T) - 2.0 HA CC-A 1 (298.15 ) Htcc~M (298.15 ) = G(ALCu) =
15000.0 + 2.0 GHSERAI + GHSERc
G"(T) - HA CC-A i(298.15 ) 2.0 ^-(298.15 ) = G(Cu:Al) =
15000.0 + GHSERAI + 2.0 GHSERc
G"{T) - 3.0 Hcicc-A 1 (298.15 K) = G(Cu:Cu) =
15000.0 + 3.0 GHSERc
LAUCTA~IC1S = !05000 1.615

LAICU"C~UC15 = - 105000 1.615

Phase LavesC36

G(T) - 3.0 rYAfcc'4,(298.15 ) = G(A1:A1) =


15000.0 + 3.0 GHSERAI
G(T)- 2.0 //ifcc_>u(298.15 K ) r/cfcc"'41(298.15 K) = G(Al:Cu) =
15000.0 + 2.0 GHSERAI + GHSERc
67(T) iA cc-A > (298.15 ) 2.0 ^- (298.15 ) = G(Cu:Al) =
15000.0 + GHSERAI + 2.0 GHSERc
G(T) - 3.0 H)icc-M (298.15 ) = G(Cu:Cu) =
System Al-Cu 31

15000.0 + 3.0 GHSERc


rO.Uvm-nfi
'> AI r...A I = 126169 + 14.61

C,Cu"ruC3e = - 126169 + 14.61

J I I 1 I I I L

Al ^Cu Cu

Phase bcc,42

. 73554 + 4.0
l,bcc-A2
y
AI,Cii:Q 51500 - 11.84

Phase fee-.41

rO.fcc-AI
53520 + 2
r 1,frc-/tl
'-Al.('ll:0 38590 - 2
r2.frc-.41
'AI,Cu:G 1170
32 Thermochemical Database for Light Metal Alloys

P h a s e liquid

r 0,liquid
',
66622 + 8.1 T

r 1,liquid
''Al.Cu 46800 - 90.8 T + 10 T InT

2,liquiH
L
A\,Cu 2812

Table I - Invariant Reactions.

Reaction Type Comp ositions *Cu r/K

Liquid ^ fcc- + AICu-0 Eutectic .175 .025 .318 820.7


Liquid + AlCu-r, ^ AICu-0 Peritectic .319 .506 .329 869.0
Liquid + AlCu-f ? AlCur, Peritectic .345 .541 .510 898.0
Liquid + bcc/42 5=* AICu( Peritectic .519 .585 .576 1124.0
Liquid + AlCu7(H) ^ bec-A Peritectic .604 .667 .644 1232.4
Liquid + bcc,42 r=* AlCu7(H) Peritectic .678 .698 .684 1293.4
Liquid ? bcc>12 + fcc.41 Eutectic .817 .807 .837 1309.3
bcc.42 ^ AlCu7(D8 3 ) + fec-A l Eutectoid .771 .691 .795 837.9
AICu7(H) ^ AICu 7 (D8 3 ) + bcc-A I Eutectoid .688 .686 .732 1054.2
bcc/12 + AlCu7(H) ^ AlCu7(D8 3 ) Peritectoid .625 .656 .647 1150.5
bcc-AI AICuf + AICu7(D8 3 ) Eutectoid .602 .580 .635 1109.3
AICuf + AICu7(D8 3 | ^ AlCu<$ Peritectoid .572 .628 .600 959.7
AlCur ^ AlCu< + AlCu<5 Eutectoid .555 .550 .600 855.8
AICu( ^ AlCur, + AlCuC Eutectoid .543 .511 .550 852.4
AlCuC ^ AICuf Congruent .550 .550 861.0

Table II:a C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlCu (AI) Cu cF4 M 4


Fm3m

(Cu) Cu cF4_ M 4
Fm3m

W e2 M 2
/m3m

o not considered
System A l-Cu 33

Table II:b C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Su br Comments


Space Group lalt ees

AlCui
R3m

AlCuv, Pban or Cmmm high T phase


0PI6 or 0CI6

AlCur^ AlCu mC20 low phase


C2/m

AlCufl Al 2 Cu III2 Al 8
14/mem Cu 4

AlCu
3 m

AICuf, NiAs hP4 low phase


P&i/mmc

AICuf, not considered

AlCu7(D8;,) AUClIg cP52 Al, 4


P43m Al2 12
Cu, 4
Cu 2 4
Cu 3 4
Cu 4 6
Cu 5 6
Cu 6 12

AlCu7(H)

AICuCi hP42 Cl
C2/m

AlCuG C2
not considered
34 Thermochemical Database for Light Metal Alloys

System Al-Fe
Solution Phases
(stable) Liquid, fcc-^41, bcc-i42, bcc-?2,Al5Fe4
(metastable) cbcc-j412, cub-i413, hcp-j43

Compounds:
stable Al 2 Fe, Al 5 Fe 2 ,Al 13 Fe 4 ,
metastable AliiMn 4 , Ali 2 Mn, ALMn

Modelling:

Liquid Substitutional, Redlich-Kister


cbcc-A12 Substitutional, Redlich-Kister
cub-A13 Substitutional, Redlich-Kister
cc-Al Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
bcc-/12 see below
bcc-B2 Sublattice model, (Al,Fe)o.5(Al,Fe) 0 . 5 (a)3
Two descriptions of the bcc-/12:bcc-B2 order-disorder
transformation are given: one which includes the
parameters of the order and disordered phases in a single
description (equation 21 in the thermodynamic
modelling chapter), and a second one where the order
and disorder contributions are expressed by equation 23.
For the second case, the parameters are in a frame.
Al 5 Fe 4 Substitutional, Redlich-Kister
Al 13 Fe 4 Sublattice model , (Al)0.6275(Fe)o.235(Al,0)o.i375
Al 2 Fe Stoichiometric, (Al) 2 (Fe)
Al 5 Fe 2 Stoichiometric, (Al)s(Fe) 2
AlnMn4 Stoichiometric, (Al)n(Mn) 4
Al [2 Mn Stoichiometric, (Al)i 2 (Mn)
Al 6 Mn Stoichiometric, (Al)e(Mn)

Assessor a n d D a t e :
M. Seierstein, 1991
Comments:
AliiMn 4 , Ali 2 Mn and Al 6 Mn and the hcp-i43 phase
have been evaluated by A. Jansson and T.G.Chart
(1995) in the assessment of the Al-Fe-Mn system.
System A l-Fe 35

Thermodynamic properties of the solution and compound phases (J.mol 1 )

Phase fccyll
LAi%Al = - 76066.1 + 18.6758

^FeT' = 21167.4 + 1.3398

Phase hcp^43
L
'ihFern'43 = 106903.0 + 20.0

Phase liquid
o.Hqmd _ _ 9 1 9 7 6 5 + 22.1314

L
M,F"id = - 5672.58 + 4.8728
j 2,liquid 1 9 1 Q

Phase Al2Fe

G"{T) - 2.0 //Aifcc'41(298.15 K) ffbcc_/l2'para(298.15 K) =


98097.0 + 18.7503 T + 2.0 GHSERA1 + GHSERFe

Phase Ali 3 Fe 4

G(T) 0.765 A icc~M (298.15 K) 0.235 //^ bcc 42 ' para (298.15 K) =
G(Al:Fe:Al) = 30714.4 + 7.44 T + 0.765 GHSERA, + 0.235 GHSERFe
G(T)0.6275 HA icc-M (298.15 K) 0.235 HCC~A 2'P(298.15 K) =
G(Al:Fe:a) = 27781.3 + 7.2566 T + 0.6275 GHSERA, + 0.235 GHSERFe

Phase Al5Fe2

G(T)5.0 // A ', fcc /U (298.15K)2.0 HCCA- 2*(298.15 K) =


228576 + 48.99503 + 5.0 GHSERA, + 2.0 GHSERFe
36 Thermochemical Database for Light Metal A lloys

Phase Al5Fe4
CC A 1
G(T) - HJ ~ (298.15 K) = 12178.90 4.813 + GHSERA,
G"(T) - HCC-A 2'P"*(298.15 K) = 5009.03 + GHSERFc
A Fe4
A'| Fe = 131649 + 29.4833

Ai^f* = 18619.5
Phase bccf2
0 CC A 1
G(T) - H A ' - (298.15 ) = G(A1:A1:G) = GBCCAI
G-(T) - 0.5 HA fc-A l (298.15 ) 0.5 tfF;bccyl2'para(298.15 ) = G(Fe:AlhO) =
37890.5 + 7.9972 + 0.5 GBCCA, + 0.5 GHSERFe
TFAM> = 521.5 i t o = 1.11
cc M cc_/l2 para
G(T) 0.5 Hli - (298.15 K) 0.5 //^ ' (298.15 K) = G(Al:Fe:D) =
37890.5 + 7.9972 + 0.5 GBCCA, + 0.5 GHSERFc
T^F% = 521.5 & % = 1.11
G(T) ^ c c 4 2 ' p a r a (298.15 K) = G(Fe:Fe:D) = GHSERF(!
r)bccB2
MW. = 1043K fep J
c,Al:F<=:a = 2.22
i0,bccB2 rO,bccB2
^AI,Fe:Al:D =
"AI:AI,Ffea = - 22485.07 + 7.9772
r l,bccB2 r l,bccB2
^Al,Fe:Al:D =
"AI:Al,Fe;0 368.15
rpO,bccB2 TiO,bccB2
i
c,Al,Fe:Al:G = J
c,AI:Al,Fe:Q 189.0
rril,bcc2 rpl,bcc-B2
i
c,Al,Fe:Al:0 r
- / c,AI:AI,Fe:G 63.0
r}0,bccB2 rjO,bccB2
KAI,Fe:AI:0 =
PA\:A\,
F c:a 0.0
TiO,bccB2 rnO,bcc-B2
1
c,AI,Fe:Fe:a ==
l c,Fe:Al,Fe:D = 189.0
o.l.bccBJ <jil,bccB2
1
c,AI,Fe:Fe:D == i
c,Fe:AI,Fe:D 63.0
r}0,bccB2 rjO,bccB2
PAI,Fe:Fe:D = PFe:AI,Fe:n 0.0
rO,bccB2 rO,bccB2
^Fe:Al,Fe:D =
^AI,Fc:Fc:D = - 24694.0 + 7.9772
r l,bccB2 r l,bccB2

Fe:AI,Fe:CI
Al,Fe:Fc:D 368.15
System Al-Fe 37

GAhF(.:D = 860 R (R = 8.31451)

LM Fe = 30740 + 7.9972

Al Fe = 386.15

Phase b c c 5 2

G"(T) - tf',fcc/41 (298.15 ) = G(A1:A1:0) = 0.0

G"() 0.5 HA fc-A 1 (298.15 ) 0.5 ff^cc"j41,para(298.15 ) = G(Al:Fe:D) = 2


0 G
l:Fe:G

G(T) - 0.5 W'| fCC_ ' 41 ( 298 15 ) 5 tfF;fcc"'",para(298.15 ) = G(Fe:Al:0) == 2.0 G|.Fc:D

G'() - //p/ cc "" 1 ' para (298.15 ) = G(Fe:Fe:D) = 0.0

Phase becA2

fO,bcc-A2 _ . n rO
L,
A\,Fe-.a 4 ^AI.Fe

r l , b c c A 2 _ o Un ri
^Al.FeiD ^AI.Fe

/Til.bcc Ari ses


T 5 0 4
C,A1,F.:D =
38 Thermochemical Database for Light Metal A lloys

Al *>F. Fe

Table I Invariant R e a c t i o n s .

Reaction Type Compositions *r> /

AI5Fe4 ? bcc-BI + Al2Fe Eutectoid .403 .462 .333 1368.2


AlsFe2 ^ Liquid Congruent .286 .286 1434.5
Liquid ^ AUFe2 + AlsFe4 Eutectic .316 .286 .365 1430.0
Liquid + AlsFe2 ^ Al, 3 Fe 4 Peritectic .242 .286 .247 1424.4
Liquid ? * fcc + Ali 3 Fe 4 Eutectic .009 .000 .237 927.1
Liquid + bcc2 =* Al5Fe4 Peritectic .405 .483 .425 1495.5
AI5Fe2 + AI5Fe4 ^ AI2Fc Peritectoid .286 .366 .333 1428.1
System A l-Fe 39

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space G r o u p lattices

AlFe (Al) Cu cF4 M 4


Fm3m

(Fe) Cu cF4 M 4
Fm3 m

(Fe) W cil M 2
mim

AlFe CsCl cPI M, 1


PniSm M2 1

AIFe 3 BiF3 cF16 Al 4 not considered


Fm3m Fe, 4
Fe, 8

Al 2 Fc AI 2 Fe aP18
Fl

AI 3 Fe mC102 designated by
C2/m AI, 3 Fe 4

Al5Fe2 oC*
Cmcm

e c/16? designated by
Al 5 Fe 4

Al 6 Fe Al 6 Fe oC28 Al, 4 metastable


Cmc2i 2 4
Al 3 8
AL, 8
Fe 4

Alt,Fe 2 AI.,Co 2 mF22 metastable


Plilc
10 Thermochemical Database for Light Metal A lloys

System AlLi

Solution P h a s e s
(stable) Liquid, bcc/42, fcc-A l
(metastable) hep,43

Compounds:
(stable) AlLi, A12L3, Al 4 Li 9
(metastable) AlMg/3, Al 2 Zr, Al 3 Zr, Al 3 Zr2,Al, 2 Mg, 7

Modellin SI

bcc,42 Substitutional, RedlichKister


kc-A\ Substitutional, RedlichKister
hc.p.43 Substitutional, RedlichKister
Liquid Substitutional, RedlichKister
Al Li Sublattice model, (Al,Li)(Li,0)
Al 2 Li 3 Stoichiometric, (Al) 2 (Li) 3
49 Stoichiometric, (Al)4(Li)g
Al, 2 Mgi7 Sublattice model, (Li) 24 (Al,Li)i 0 (Al) 24
Al 2 Zr Sublattice model, (Al) 2 (Zr)
Al 3 Zr Sublattice model, (Al) 3 (Zr)
32 Sublattice model, (Al) 3 (Zr) 2

Assessor and Date:


N. Saunders
Publication:
Calphad, 1, (3), 237251 (1977)
Comments:
Data below used to calculate the AlLiMg and
AlLiZr systems.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase hcp/43

L
\,u7oA3 = 27000.0 + 8.0
System A l-Li 41

Phase bcc/\2

ulici42 = - 27000.0 + 8.0

AuTo42 = l.OE06

L2A^-aA2 = 3000.0

Phase fee,41

^AULITO ' = - 27000.0 + 8.0

ujTa' = l.OE06


AU!TD2 = 3000.0 + 0.1
Phase liquid


Ai'!u'd = 41500.0 + 20.96

Ainuid = 10000.0 5.8

^Ai',u"H = 15902.0 9.368


SJiquid = _ 2 5 0 0

Phase AlLi

(7() //Aifcc_/U(298.15 ) Hl?cc-A 2(298.15 ) = G(Al:Li) =


41300.0 + 16.86 + GHSERA, + GHSERL
G"(T) - 2.0 10^2(2985 ) = G(Li:Li) = 2.0 GHSERLi
CC M
G(T) - IIA - (298.15 K) = G(A1:D) = 24000.0 + GIISERA,
G(T) - Hl;>cc-A 2(298.15 K) = G(Li:D) = 50000.0 + GHSERL
200000
Aii =

ACUL = 26000.0

= 2000.0

'iVVa = 24000.0 + 10.0


12 Thermochemical Database for Light Metal A lloys

Phase Al 2 Li 3

G(T)2.0 //',rcc"'41(298.15K)3.0 Hl?cc-A 2


(298.15 ) =
89640.0 + 32.79 + 2.0 GHSERA, + 3.0 GHSER,,

Phase Al4Lig

G"(T) - 4.0 /fif***1 (298.15 ) 9.0 /^ bcc_/,2 (298.15 ) = G(ALLi) =


185250.0 + 67.8 + 4.0 GHSERAI + 9.0 GHSER,,,
Phase Ali 2 Mgi7

G(T) 34.0 //)rcc_/,,(298.15 ) 24.0 //,bc<"'42(298.15 ) = G(Li:Al:Al) =


800000 + 405 + 34.0 GHSERAI + 24.0 GHSER,.
G"(T) 2-1.0 / / o.fcc-Al, (298.15 ) 34.0 Wu
'(298.15 ) = G(Li:Li:.M) =
750000 + 405 + 24.0 GHSERAI + 34.0 GIISERu

Phase Al 2 Zr

G"(T) 2.0 //'Aifcc'4,(298.15 ) //,;b,:c'42(298.15 ) = G(Al:Li) =


24240 + 16.869 + 2.0 GHSERAI + GIISERu
Phase Al 3 Zr
o,{cc-Al
G"(T) - 3.0 irAl (298.15 K) o,bec Al (298.15 ) = G(ALLi) =
24400 + 16.88 + 3.0 GHSERAI + GHSERLi

Phase Al 3 Zr 2

G(T) 3.0 HA !CC-M(298.\5 K) 2.0 //,.bcc'42(298.15 ) = G(Al:Li)


46625 + 33.25 + 3.0 GHSERA| + 2.0 GIISERu

Table I Invariant Reactions.

Reaction Type Compositions zu T/K

Liquid ? fcc,41 + AlLi Eutectic .256 .155 .462 868.8


Liquid + AlLi 5^ AI2Li3 Peritectic .775 .555 .600 793.6
Liquid + AI2Li.i ^ AI4L9 Peritectic .912 .600 .692 607.6
Liquid ? i AU Lip + bec-A I Eutectic .989 .692 .999 447.8
AlLi ^ Liquid Congruent .500 .500 978.0
Svstem A l-Li 43

1100- J I I I I I I I L

Liquid
1000-

Al Li

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

AlLi (Al) Cu cF4 M 4


Fm3m

(Li) VV cI2 M 2
lmim

AlLi NaTl cF16 M, 8


F dim M2 8

Al,Li 3 Ga 2 Te 3 hR15 Al 6
R3m Li, 3
Li2 6

AI3Li A11C113 cP4 Al 3 metast.


Fm3m Li 1

AI4L9 .,.', mC26


C2/m
11 Thermochemical Database for Light Metal A lloys

System AiMg
Version I

Solution Phases:
(stable) Liquid, fcc,41, hep,43
(metastable) bcc,42

Compounds:
(stable) AMg- , A l M g t , AlMgC,Al 12 Mg, 7
(metastable) AlLi

Modellin SI

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcp.43 Substitutional, RedlichKister
Al 12 Mg,7 Sublattice model, Mg 24 (Al,Mg)| 0 (Al,Mg) 24
AlMg/3 Stoichiometric, (Al)0.6i5(Mg)o.M5
AlMge Stoichiometric, (Al)0.56(Mg)o.44
AlMgC Stoichiometric, (Al)0.52s(Mg)o.475
AlLi Sublattice model (Al,Mg)(Mg,D)

Assessor and Date:


N. Saunders, 1991
Comments:
The data below were used for the thermodynamic assess
ment of the AlLiMg system in COST507 Round I .

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases(J.mol ')

Phase AlMg/?

G"(T)- 0.615 HA fc-M (298.15 K) 0.385 / / ^ _ 3 ( 2 9 8 . 1 5 ) =


1000.0 3.017 + 0.615 GHSER A | + 0.385 GHSER M g
.System A l Mg 45

Phase AlMg

G(T) - 14.0 //A/" 41 (298.15 K) 11.0 //^ cp 43 (298.15 K) =


9275.0104.0 + 14.0 GHSERAI + 11.0 GIISERMg

Phase AlMg

G(T) - 21.0 irA cc-M(298A 5 K) 19.0 Mgcp~/,3 (298.15 K) =


- 21040.0 - 163.76 + 21.0 GHSERAI + 19.0 GIISERMg
Phase Al| 2 Mgi 7
G(T) - 34.0 HAlcc-M(298.15 K) - 24.0 ^-(298.\5 K) = G(Mg:A1:Al) =
- 36800.0 - 140.0 + 34.0 GHSERA, + 24.0 GHSERMg
G"(T) - 24.0 Ilc-M(298.15 K) 34.0 //"'43(298.15 K) = G(Mg:Mg:Al) =
123200.0 56.26 + 24.0 GHSERA, + 34.0 GHSERMg
G(T) - 10.0 irA jcc-A i (298.15 K) 48.0 //^j g c p > 1 3 (298.15 K) = G(Mg:Al:Mg) =
151000.0 + 10.0 GHSERAI + 48.0 GHSERMg
G(T) - 58.0 //^ig rp " /,3 (298.15 K) = G(Mg:Mg:Mg) =
290000 + 58.0 GHSERMg
rO,AI,2Mgl7 _ 17f)f)f)
/y
Mg:AI,Mg:AI 1 < UUU

rO,All2Mg17
J
Mg:AI,Mg:Mg 17000
Phase AlLi

G"(T) - HA icc-M(298.\5 K) = G(A1:D) =


24000 + GHSERAI
G(T) - //Mgrp'43(298.15 K) = G(Mg:G) =
50000 + CBCCMg
G(T) - 2.0 H^cp~A 3(298A 5 K) = G(Mg:Mg) =
2.0 GBCCMg
G(T) - IfA fc-M (298A 5 K) ^~3(298.\5 K) = G(Al:Mg)
2486 1.75 + GBCCA, + GBCCMg

Phase bcc/42

.'2 = 4971.03.5

L\Z:-n
y
AI,M :Q g
= 900.0 + 0.423
-2.hrc-.-12
2
/,.
'AI.MgtO = 950.0
16 Thermochemical Database for A ghi Metal A lloys

Al ^Mg Mg

Phase fee-
A l

O.fccytl
I. A I , M g : 0 4971.03.5

r l.frcAI
' y AI,M g :D 900.0 + 0.423

2,fcc,41
AI,M g :D 950.0

Phase hcp,43

r 0,hepA3
/y
AI,Mg:a 1950.0 2.0

1, hep A3
/. AI,M g :D 1480.0 2.08

r 2,hcpA3
'AI,M g :D 3500.0

P h a s e liquid

r O.liquiH
'yAl,Mg 12000.0 + 8.566

1,liquid
/y
AI,Mg 1894.0 3.0

r 2,liquid
''AI.Mg 2000.0
System A l-Mg 47

Table I Invariant Reactions.

Reaction Type Compositions *Mg /

Liquid ^ fee/Il + AlMg/? Eutectic .363 .166 .385 723.3


Liquid F* AlMg/? + AlMge Eutectic .423 .385 .440 721.5
Liquid + AlMgC ^ + AlMgf Peritectic .436 .475 .440 722.0
Liquid + Ali 2 Mgi7 ^ AIMg Peritectic .468 .522 .475 725.0
AlMgf ^ AlMg/? + AlMgC Eutectoid .440 .385 .475 700.0
AlMgC ^ AlMg/? + Al 12 Mg 17 Eutectoid .475 .385 .513 673.0
Liquid =* Al, 2 Mg,7 + hcp,43 Eutectic .690 .604 .884 710.0
AlMg/? ^ Liquid Congruent .385 .385 724.1
AI,2Mgi7 ^ Liquid Congruent .556 .556 733.3

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


S pace Group lattices

AIMg (Al) Cu cF4 M 4


Fm3m

(Mg) Mg 2 M 2
F6 3 /mmc

Ali 2 Mgi7 c/58 Al 24 7 in Masi


cbcc/412 /43m Mg, 2
Mg2 8
Mg3 24

AI3Mg2 Cd 2 Na cF112 CF1832 in [91 Vii]


Frf3m designated as AlMg/?

AI3oMg23 Co 5 Cr 2 Mo 3 53 Al, 18 f
(Mn 44 Si 9 ) 3 Al2 18
Al3 18
Al4 18
Al5 18
Mg, 3
Mg2 6
Mgs 6
Mg< 18
Mgs 18
Mg6 18

AI49Mg.12 Al 6 Mg,,Zn,i c/162 C


/m3
48 Thermochemical Database for Light Metal Alloys

System Ai-Mg
Version II

Solution Phases:
(stable) Liquid, fcc-,41, hcp-,43
(metastable) bcc-,42, hcp-Zn

Compounds:
(stable) AlMg-/?, AlMg-e, AlMg-7
(metastable) I,aves-Gl4, Laves-G15, Laves-G36, Mg 2 Zn,,,
Mg 2 Zn 3 , MgZn, (^-phase, r-phase

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister
AlMg-/? Stoichiometric, (Al)o.eis(Mg)0.385
AlMg-r Stoichiometric, (Al)0.s6(Mg)o.44
MgZn Stoichiometric, (Al)i 3 (Mg)i 2
Mg2Zn3 Stoichiometric, (Al) 3 (Mg) 2
-phase Stoichiometric, (Al) 5 (Mg)6
Mg2Zn11 Stoichiometric, (Al)u(Mg) 2
AlMg-7 Sublattice model, Mg 5 (Al,Mg)i 2 (Al,Mg)| 2
Laves-Gl4 Sublattice model (Al,Mg) 2 (Al,Mg)
Laves-G15 Sublattice model (Al,Mg) 2 (AI,Mg)
I,aves-G36 Sublattice model (Al,Mg) 2 (Al,Mg)
r-phase Sublattice model (Mg) 2e (Al,Mg) 6 (Al,Mg) 48 (Al)

Assessor and D a t e :
H.-L. Lukas
Comments:
The data for the Laves-C15 phase were evaluated by
T. Biihler for the thermodynamic assessment of the
Al-Cu-Mg system
System A l Mg 49

Thermodynamic properties of the solution and compound phases (J.mol 1 )

Phase liquid

12000
^'.' = + 8566 T

A!!MH = 18943

',' = 2000
Phase AlMg/?

G(T)- 140.0 UA irc-M (298.15 K) 89.0 //^ cp ' 43 (298.15 K) =


246175 675.55 7 + 140.0 GHSERAI + 89.0 GHSERMg

Phase AlMg

G(T) - 30.0 H'irc41(298.15 ) 23.0 H^hgcp/,3(298.15 ) =


52565.4 173.1775 + 30.0 GHSERA| +23.0 GHSF.RMg
Phase AlMg^y

G(T)- 24.0 //A'|fcc41(298.15 K ) 5 . 0 /7Mgrp~'43(298.15 K) = G(Mg:Al:Al) =


97875101.5 T+24.0 GHSERA1 + 5.0 GIISERMg
G(7) 12.0 I1A C-M(298.15 ) 17.0. ff^hgcp-A 3(298.\5 ) = G(Mg:Mg:Al) =
52780 50.75 + 12.0 GHSERA, + 17.0 GIISERMg
G"(T) - 12.0 H'icc/tl(298.15 ) 17.0 H^ cp_/,3 (298.15 ) = G(Mg:Al:Mg) =
284124.6 138.069 T+ 12.0 GHSERA, + 17.0 GHSERMg
G(T) - 29.0 H^rp"'43(298.15K) = G(Mg:Mg:Mg) =
133469.687.319 T + 29.0 GHSERMg
rO,AI| M |7
y
2
' M :AI:AI.Mg
g
=
g
113100 14.5 T

rO,AI|jMg|7
''M g :Mg:AI.M g = 113100 14.5 T

Phase fcc,41
rO.fccAl
''AI,Mg:a 4971 3.5 T
r l,fccAI
iv
AI.Mg:D 900 + 0.423 T
r2,frcAI
' y AI,Mg:a 950
50 Thermochemical Database for Light Metal A lloys

Phase hcp,43

&a 3 = 19502

= 1480-2.08
r2,hcp-A3 Wff
''AI.MgtQ '30UU

Phase hcpZn

^ASUIO" = 19502
L h
'| Mg^Dn = 1480 2.08
r2,hcpZn _ Ocff
J 0 U U
''Al,Mg:D

Phase LavesGl4

G"(T)- 3.0 /YAifcc_>,,(298.15 K) = G(A1:A1) =


15000 + 3.0 GHSERA,
G(T) - ffA cc-M(298A 5 ) 2.0 H^cp-A 3(298A 5 ) = G(Mg:Al) =
17329 16.8 + GHSERA, + 2.0 GIISERMg
G"(T) 2.0 HA 'CC-M (298.15 K) //^ cp_ ' 43 (298.15 K) = G(ALMg) =
12671.1 + 16.8 T+ 2.0 GHSERA, + GHSERMg
G(T) - 3.0 H^P~A 3(298A 5 K) = G(Mg:Mg) =
15000 + 3.0 GHSERMg
A t o = 15000

'MgCU = 800

C X " = 8000
1 4
C ^ = 15000
Phase LavesGl5

G"(T)- 3.0 r7Aifcc_i41 (298.15 K) = G(A1:A1) =


15000 + 3.0 GHSERA,
cc
A i
G(T)- HA - (298
A 5K)- 2.0 /YM'gcp_'43(298.15 K) = G(Mg:Al) =
104970.9616.46448 + GHSERA, + 2.0 GHSERMg
G(T) - 2.0 HA CC-M (298.15 K) //M'gcp_'43(298.15 K) = G(ALMg) =
30000 + 4.0 + 2.0 GHSERAI + GHSERMg
G"(T) - 3.0 tfM'gCp,43(298.15 K) = G(Mg:Mg) = 15000 + 3.0 GHSERMg
System -Mg 51

rO,I.avesC15 1 cnnn
150
AI,Mg:Al = 0

L' A0TrJ. C,5


O, Lavesf
hAI.Mg = 8000
0, L a v e s 15
C
raf
J
Mg:AI.Mg = soou
O.Laves C'
^f'5
''Al.MgiMg = 15000

Phase LavesG36

G(T) - 3.0 //Af""41 (298.15 K) = G(A1:A1) =


15000 + 3.0 GHSERAI
G(T) - HA CC-M(298A 5 K) 2.0 /7M'gcp_/,3(298.15 K) = G(Mg:Al) =
84970.9616.46448 T+GHSER A | + 2 GIISERMg
G(T) - 2.0 rA cc-A l(298.15 K) //'^_/,3(298.15 ) = G(Al:Mg) =
21734 + 11.02 + 2.0 GHSERA, + GHSERMg
G(T) 3.0 //^ cp ' 43 (298.15K) = G(Mg:Mg) =
15000 + 3.0 GHSERwg

',,^ 36 = 15000

'A = 8000
' = 8000
'AI,Mg:M
. g = 15000
Phase Mg 2 Zn,i
G(T)- 11.0 irA! ~ (298.15 K ) - 2.0 //M'gcp_'43(298.15 K) =
cc Al

+ 130000- 26.0 T + 11.0 GHSERAI + 2.0 GHSERM K

Phase Mg 2 Zn 3

G(T)- 3.0 //A',fcc->u(298.15 K ) - 2.0 // M ^ p_ ' 43 (298.15 K) =


1000-0.2 + 3 . 0 GIISERA, + 2.0 GHSERMg

Phase MgZn

G(T)- 13.0 IlA;cc-Ai(298.15 K ) - 12.0 /7M'g<"p-43(298.15 K) =


- 10000+ 2.5 T+13.0 GHSERAI + 12.0 GIISERMg
52 Thermochemical Database for Light Metal A lloys

1000 J I I I L

Al ^Mg Mg

Phase <>phase

G"(T)- 5.0. // A i fcc_/,, (298.15K) 6.0 //M^cp_'43(298.15 K) =


1540016.5 + 5 . 0 GHSERA1 + 6.0 GHSERMg

Phase phase

G"(T)- 55.0 HJCC-M(298A 5K)- 26.0 FQhtcp~A 3(298A 5 K) =


G(Mg:Al:Al:Al) = 105.3 + 55.0 GHSERA, + 26.0 GHSERMg
G(T) - 49.0 //Alfcc'41(298.15 K) 32.0 //M'gcp"'43(298.15 K) =
G(Mg:Mg:Al:Al) = 81000 186.3 + 49.0 GHSERAI + 32.0 GHSERMg
G"(T)- 7.0 //Aifcc_'4,(298.15 K ) 74.0 H$cp-A 3(298A 5 K) =
G(Mg:Al:Mg:Al) = 1053000 + 405 T + 7.0 GHSERA, + 74.0 GHSERMg
G"(T) - HA !CC-M(298.15 K) 80.0 /7M'gcp43(298.15 ) =
G(Mg:Mg:Mg:Al) = 405000 + 243 + GHSERA, + 80.0 GHSERMg
S;TS5WAI = 20250040.5
r O.Tphase
'^ :| :, : = - 202500 - 40.5
System A l-Mg 53

Table I Invariant Reactions.

Reaction Type Compositions *M g

Liquid ? * fcc,41 + AlMg/? Eutectic .363 .166 .389 723.6


Liquid ? i AlMg/3 + A I M g 7 Eutectic .424 .389 .480 722.7
AIMg/?+ A l M g 7 ^ AIMgf Peritectoid .389 .494 .434 682.9
AlMgf r=* AlMg/? + A l M g 7 Eutectoid .434 .389 .536 523.2.0
Liquid ? A I M g 7 + hcp,43 Eutectic .690 .601 .884 709.4
AlMg/? ^ Liquid Congruent .385 .385 724.7
A I | 2 M g i 7 ^ Liquid Congruent .523 .523 736.3

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space G r o u p lattices

AlMg (Al) Cu cF4 M 4


Fm?>m

(Mg) Mg h PI M 2
PSz/mmc

AIMg7 c/58 Al 24 designated as


cbcc 12 /43m Mg, 2 Ali2Mgi7
Mg 2 8
Mg., 24

Al3Mg2 Cd2Na cF112 c F 1 8 3 2 in [91 Vii]


Fd3m designated as AlMg/?

AlMgf Co5Cr2Mo3 53 Al, 18 R phase in


[Masi]

(MnSi9) R3 Al 2 18
Al 3 18
AL 18
Als 18
Mg, 3
Mg 2 6
Mg 3 6
Mg 4 18
Mgs 18
Mg 6 18
54 Thermochemical Database for Light Metal A lloys

System A l M n

Solution Phases:
Liquid, bcc,42, cbcc,412,
cub,413,fcc,41, hcp,43

Stoichiometric Compounds:
(stable) Al,,Mn 4 , Al 6 Mn, Al 4 Mn, Al 8 Mn 5 i>8,o
(metastable) Al 2 Fe, AlsFe,, Al 13 Fe 4

M o d e l l i n SI

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
cbcc-A\2 Substitutional, RedlichKister
cub/113 Substitutional, RedlichKister
fccr41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
AlgMns -D8W Sublattice model, (Al)| 2 (Mn) 4 (AI,Mn)io
Al 2 Fe Stoichiometric, (AI) 2 (Fe)i
Al5Fe2 Stoichiometric, (Al) 5 (Fe) 2
Al, 3 Fc 4 Sublattice model, (Al).r.27s(Fe).235(Al,n).|375

Assessor and D a t e :
. Jansson
Publication:
TritaMac0462, May 1991, Materials Research Center,
The Royal Institute of Technology, Stockholm

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s (J.mol ')

Phase ,,.,

G(T) - 11.0 //'i icc /,, (298.15 K) 4.0 /'/' M 'f cc /,,2 ' p, ' ra (298.15 K) =

354690.0 + 103.031 T + 11.0 G H S E R A I + 4.0 GHSER M n

Phase Ali 2 Mn

G(T)- 12.0 UA icc-M(298.15 K) r/ M ^ bcc "' 4,2p,u,, (298.15 K) =


125730.0 + 54.98103 T + 12.0 GHSER A , + GHSER M n
System A l-Mn 55

Phase Al 4 Mn
G(T)- 4.0 rrA fc-A (298A 5 K) //M'fcc~/,,2'para(298.15 K) =
100005.0 + 30.0 + 4.0 GHSERA, + GHSERM
Phase Al e Mn
cA i
G(T) - 6.0 FfA f - (298A 5 K) r7M'fcc/U2,para(298.15 K) =
124564.3 + 53.6593 + 6.0 GHSERAI + GHSERM
Phase AI 8 Mn 5 D8i 0
G(T) - 22.0 HA CC-M (298.15 K) 4.0 //M^bcc/U2'psra(298.15 K) = G(Al:Mn:Al) =
308671 + 56.6488 + 22.0 GHSERA, + 4.0 GHSERMn
G(T)12.0 //ifcc_/U(298.15 ) 14.0 //M'fcc~'412'para(298.15 ) =
G(Al:Mn:Mn) = 596867 + 94.612 + 12.0 GHSERAI + 14.0 GHSERM
^A|AMnM,,Mn8' = 546234 + 387.348
Phase Al2Fe

G(T)- 2.0 // A ' l fcc 4, (298.15K) /7jcnbcr'l,2para(298.15 K) =


14065.0 + 2.0 GHSERAI + GHSERMn
Phase Al5Fe2
G(T) - 5.0 HA icc-M(298.15 K) 2.0 //M'cnbcc412'para(298.15 K) =
5.0 GHSERAI + 2.0 GHSERM

Phase Al| 3 Fe 4

G(T) - 0.765 r/A',fcc'41(298.15 K) 0.235 //M'cnbcc_/112'para(298.15 K) =


20000.0 + 10.0 + 0.765 GHSERAI + 0.235 GHSERM
G(T) - 0.6275 frA cc-A l(298.15 ) 0.235 //M^bcc/,l2'para(298.15 ) =
17000.0 + 10.0 + 0.6275 GHSERAI + 0.235 GIISERMn
Phase bcc,42
120077
I'MM~ = - + 52.851 Mn"r12 = 40652 + 29.2764
Phase cbcc/tl2

'AiMn-u12 = 101410 + 43.0


Phase cub,413

^A".Mb,7:'3 = 119022 +52.507 A


ALl ^ 3 = 1763
56 Thermochemical Database for Light Metal Alloys

Phase ice-Al
r o,fee-Al r l.fcc ,41
, - 69300 + 25.0 ^Al.MtiiD 8800

Phase hcp-,43
rO,hcp-A3 r 1,hep-A3
'. - 108066 + 43.83 ^, = - 54519.8 + 40

Phase liquid
r 0,liquid
", 66174 +27.0988
1,liquid
'', 7509 + 5.4836
2,liquid
'-, 2639

Table I - Invariant Reactions.

Reaction Type Compositions iMn /

Liquid + Al4Mn ^ AI^Mn Peritectic .021 .200 .143 978.0


Liquid ^ fcc-Al + A le Eutectic .010 .007 .143 931.1
fcc-Al + AI6Mn * AI,2Mn Peritectoid .002 .143 .077 817.0
Liquid + AI,,Mn 4 ^ AI4Mn Peritectic .127 .266 .200 1193.1
Liquid + Al8Mn5-D8,o =* , 4 Peritectic .205 .324 .266 1262.4
Liquid + hcp-A3 ^ AI8Mn5-D8io Peritectic .425 .519 .486 1433.3
hcp-A3 ^ Al 8 Mn 5 -D8io + cub-A13 Eutectoid .551 .511 .590 1143.7
bcc-A2 ? hcp-A3 + cub-A13 Eutectoid .601 .592 .621 1207.0
fcc-Al + bcc-A2 ? CUD-A13 Pertitectoid .913 .903 .910 1330.9
Liquid + bcc-A2 ? hcp-A3 Peritectic .588 .644 .641 1522.3
bcc-A2 ?=^ Liquid Congruent .816 .816 1582.0
System A -M n 57

J I I I I I I I L

1700-
Liquid

1500-

Al , -*

1100

1050-

i 1000-

O 950
i_
3
90 fcc-,41
oo
O
Q- 860-

0)

I 800-

750
700 I r-
0.0 005 0.1 0.15 0.2

Al ^Mn
58 Thermochemical Database for Light Metal A lloys

Table II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Su fa Comments


Space C roup lati ices

AlMn (Al) Cu cF4 M, 4


Fm3m

oMn oMn c58 cbcc 1


/43m

/?Mn /?Mn cF20 cub,413


F^,32

7~Mn Cu cF4 icc/41


Fm3m

Mn W c/2 bcc,42
Inm

AIMn AuCuLln tP2 M, 1


P4/mmm M2 I metast.

A AI4Mn oKO reported as 1,


Pnnn

,, AlfiMn oCIS Ali 8


Cmcm Al2 8
Al3 8
Mn 4

Al,oMn3 AUMn2 hPIS Ali 2


F6 3 /mmc Al2 6
Als 12
6

AlnMn 4 L AL MD., aP30 transformation


P\ not taken into
account
reported as
aPI5 in [91 Vil]

AI,,Mn 4 H 0FI6O not in [90Mas]


Pnma metast.

Al,2Mn AI,2W c/26 not quoted in


ImZ [90Mas] metast.

AlgMns AI8Crs 26 Al8Mns>0g


3m
System AI-Mo 59

System AI-Mo

Solution Phases:
(stable) Liquid, bcc-,42, fcc-,41
(metastable) bcc-S2, hcp-,43

Compounds:
(stable) Al 12 Mo, Al 4 Mo, AI5M0, ^ , Al 8 Mo 3 , AlMo,
cub-,415
(metastable) AIM-DO,.,, AlTi-Llo

Modellin S

Liquid Substitutional, Redlich-Kister


bcc-A2 Substitutional, Redlich-Kister
fcc-.41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
Al| 2 Mo Stoichiometric, (Al) J2 (Mo)
AI5M0 Stoichiometric, (Al)s(Mo)
Al4Mo Stoichiometric, (Al) 4 (Mo)
63 3 7 Stoichiometric, ( A l ^ M o ) ^
Al 8 Mo 3 Stoichiometric, (Al) 8 (Mo) 3
cub-,415 Stoichiometric, (Al)(Mo) 3
AlMo Sublattice model, (Al,Mo)(Al,Mo)
bcc-S2 Sublattice model, (Al,Mo)0.5(Al,Mo)n.5(D)3
The thermodynamic description of the bcc-B2 takes
into account the ordering reaction bcc-,42 # bcc-B2.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
AIM-DO19 : Sublattice model, (Al,Mo) 3 (Al,Mo)(D) 0 5
MTi-Llo : Sublattice model, (Al,Mo)(Al,Mo)

Assessor and D a t e :
N. Saunders (1996)
60 Thermochemical Database for Light Metal Alloys

3000

Al M*> Mo

1100- Liquid + A l , Mo

1000-

fcc-

Icc-AI + Al,, Mo

500- 1
0.0 0.005 0.01 0.015 0.02 0.025
Al -Mo
System A I-Mo 61

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s ( J . m o l ')

Phase AIi2Mo

G"(T) - 12.0 // A i r c c '" (298.15 K) /7 M ' bcc/,2 (298.15 K) =

139100 + 26.975 + 12.0 G H S E R A I + GIISER M

Phase A l 4 M o

G(T) - 4.0 /Vifcc/U(298.15 ) /YM'bcc_'42(298.15 ) =

137570 + 29.69 + 4.0 GHSER A | + GIISER M o

Phase Al5Mo

G"(T)- 5.0 HA fc-M(298A 5K)- /7 M ' bcc_/,2 (298.15 ) =

139104 + 30.156 + 5.0 G H S E R A I + GIISER Mo

P h a s e 1 3 7

G"(T) - 63.0 // A / cc_ ' 41 (298.15 K) 37.0 r/ M ,bcc_/,2 (298.15 K) =

2268100 + 167.2 + 63.0 GHSER A , + 37.0 GIISER M

Phase Al8Mo3

G"(T)- 8.0 //"f^ 1 (298.15 ) 3 . 0 // M ' bcc 42 (298.15 ) =

412500 + 105.05 + 8.0 G H S E R A I + 3.0 GHSER M

P h a s e cub/115

G(T)- // A i f r c 4 1 (298.15 K ) 3 . 0 // M ,bcc_ ' 42 (298.15 K) =

89000 + 20 - 0.003 2 + GHSER A , + 3.0 GHSER M o

Phase AlMo

G(T) - 2.0 HA CC-M(298.15 ) = G(ALAl) =


2.0 GBCCAI
G(T) - riA '!cc-A i(298A 5 K) - ^~2(2985 ) = G(Al:Mo) =
36850 + + G H S E R A I + GHSER Mn
G(T) - flA (cc-A l(298.)5 K) - // M ' bcc_/42 (298.15 K) = G(Mo:Al) =
36850 + 7' + G H S E R A I + GHSER M
G(T) - 2.0 // M ' bcr_/,2 (298.15 K) = G(Mo:Mo) =
2.0 + GHSERMO
62 Thermochemical Database for Light Metal Alloys

r o,AlMo r o,AlMo cnnn


0
'!,: , ~ ~

. -, ^
' :, ^,: JUUU

ri.AiMo ri.AiMo mnnn


'':, ^, lUUUU

Phase A1MD0, 9
G"(T) - 4.0 /7',fcc_j4I(298.15 ) = G(A1:A1) =
4.0 GHCPAI
G(T) - f{A cc-M(298A 5 K) 3.0 /7 M ' bcc_/,2 (298.15 K) = G(Mo:Al) =
64000 + 15.32 + GHCP A | + 3.0 GHCP M o
G(T) - 3.0 GHCP A , // M ' bcc_ ' 42 (298.15 K) = G(Al:Mo) =
64000 + 15.32 + 3.0 G H C P A I + GHCPMo
G(T) - 4.0 r/ M ' bcc ' 42 (298.15 K) = G(Mo:Mo) =
4.0 GHSERMO

Phase liquid

rO, liquid

, - 100000 + 35

r 1 .liquid
^, - 15000 + 6.3
Phase fcc-,41

rO,fccAl
',: - 92220 + 20
Phase bcc-/12

rO,bcc-A2
''AI.MorO - 75000 + 25
Phase b c c 2
cc A 1
G"(T) - HA f - (298.15 K) = G(A1:A1:D) = 0.0
G"(T) - 0.5 Hi$*-M(298.15 K) 0.5 // M ' bcc " 42 (298.15 K) = G(Mo:Al:D) =
7050 +
G"(T) - 0.5 HA icc-M(298A 5 K) 0.5 // M ' b ^ c 42 (298.15 K) = G(Al:Mo:D) =
7050 +
G"() - //M'oCC"'42(298.15 ) = G(Mo:Mo:D) = 0.0
o = 7050T

=
'':,: 7050 - T

5& = 7050 -T

CbMo":A|2D = 7050 T
System A I-Mo 63

Phase bccB2

GAl:Mo:G = " 7050 +

G"() - A lcc~A ] (298.15 ) = G(AI:A1:D) = 0.0

G(T) - 0.5 HJcc-A l (298.15 K) 0.5 // M ' b c c " y 4 2 (298.15 K) = G(Al:Mo:D) = 2.0 G A i : M o : D

G"(T) - 0.5 H-{ucc-A 1 (298.15 ) 0.5 H^b0cc'A 2(298.15 ) = G(Mo:Al:0) == 2


0 G
l:Mo:G

G(T) H M ' b c c " 4 2 (298.15 ) = G(Mo:Mo:) = 0.0

Phase bcc,42

AMO"=D2 = 75000 + 25

Phase hcp,43

rO,hcpA3
^,:0 85570 + 25 T

Table I Invariant Reactions.

Reaction Type Compositions I l i o K

AlMo ^ AI8Mo3 + cub,415 Eutectoid .507 .273 .750 1745.6


Al63Mo37 ^ Al 8 Mo 3 + AlMo Eutectoid .370 .273 .505 1759.6
Liquid ^ Al 8 Mo 3 + Al63Mo37 Eutectic .333 .273 .370 1836.4
Liquid + AlMo * 1337 Peritectic .358 .4955 .370 1844.7
Liquid + cub,415 * AlMo Peritectic .417 .750 .525 1983.6
Liquid + bcc-A 1 ^ cub,415 Peritectic .621 .791 .750 2418.9
Liquid + Al4Mo ^ Al5Mo Peritectic .0012 .200 .166 1025.2
Liquid + AI5M0 f* Al, 2 Mo Peritectic .0005 .167 .077 971.6
Liquid + Al, 2 Mo F^ fcc,41 Peritectic .0002 .077 .0007 933.8
Liquid + Al 8 Mo 3 * AI4M0 Peritectic .028 .273 .200 1397.7
AI 8 Mo 3 f i Liquid Congruent .273 .273 1850.5
64 Thermochemical Database for Light Metal A lloys

Table II C rystal S t r u c t u r e and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlMo (Al) Cu cF4 M 4


Fm3m

(Mo) W cI2 M 2
ImZm

Al, 2 Mo A1,2W cl26 Al 24


Im3 Mo 2

50 AlsW hP12
P63

AI4Mo AI4W mC30 Al, 2


Cm Ali 2
Mo, 2
Al 3 4
., 4
Als 4
Al6 4
7 4
Mo2 4

AI 8 Mo 3 Al8Mo3 mC22 Mo, 2


C2/m Al, 48
Al, 4
Al 3 4
., 4
Mo2 4

AI 23 V 4 A123V4 hP54
Pi/mmc

Al63Mo37

AlMo W cI2 M 2
Inm

AIM03 Cr 3 Si cP8 Al 2 cub,415


Pnn Mo 6
System Al-N 65

System Al-N

Solution Phases:
(stable) Liquid, fcc-,41
(metastable) bcc-,42, hcp-,43

Compound:
A1N
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-.42 Sublattice model, (A1)(C,D) 3
fcc-,41 Sublattice model, (A1)(C,D)
hcp-,43 Sublattice model, (Al)(C,a) 0 . 5
gas ideal (A1,A12,N,N2,N3)
A1N Stoichiometric, (A1)(N)

Assessor and Date:


ILL. Lukas 1992
Data relative for the bcc-,42 and hcp-3 phases were
evaluated by R. Fetzer and K. 7,eng for the Al-N-Ti
system.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases ( J . m o l - 1 )

Phase A1N

G(T) - HAicc-M(298.15 K) - 2.0 // 0 'f(298.15 K) =


- 338005.5 + 305.211 - 46.94867 InT - 0.00189068 2
+ 874528 " 1 + 1.3756E-07 3

Phase bcc-/12

G(T) - /Y A ' l - (298.15 K) - 3.0 r/0;5e(298.15 K) =


fcc /n

23000 + 10 + G H S E R A I + 3.0 GHSER N

Phase ice-Al

G"(T) - HAicc-M(298A5 K) - //0%g(298.15 K) =


80 + GHSERA, + GHSERN
66 Thermochemical Database for Light Metal A lloys

3000- J L

gas

2600-

<> 2000 Liquid


*->


Q. 1500
E
>
I
1000-

TC C .A1

500- -

0.0 0.1 0.2 0.3 0.4 0.6 0.6 07 0.8 0.9 1.0


Phase hcp,43

G(T) - Il0A cc-A 1


(298.15 ) 0.5 //|" 2 (298.15 ) =
80000 + GHSERAI + 0.5 GHSERN

Phase liquid

^o.iiqmd = _ 336826.61 + 103.22478

Phase gas(Al,A.2,N,N2,N 3 ) (p = o.l MPa)

(?iT) _ irA fc~M (298.15 K) = RT In +


298.15 <T< 4300.00 : 323947.5825.1480948 20.859 T- InT
+ 4.5665E05 2 3.94209 3 24275.5 ~
1300.00 << 8200.00 : 342017.23454.0526111 17.7891
+ 6.82205 2 1.911108 3
- 14782200 ~
8200.00 << 10000.00 : 542396.07411.214335 + 22.2419
0.00349619 2 + 4.0491 08 3
- 2.0366965+08 " 1
System A l-N 67

G A " ( 7 ) 2.0 ^' (298.15 ) = RT +


298.15 < < 900.00 : 496408.232 + 35.4797382 - 41.6397 -
+ 0.00249636 2 - 4.9050-07 3
+ 85390.3 " 1
900.00 < < 10000.00 : +497613.221+17.3681302 - 38.85476 7- InT
- 2.249805-04 2 - 9.49003167- 09 3
- 5287.23 " 1
() - ir0:iz2(298.i5 ) fTlnP +
298.15 < < 2950.00 : 466146.153 + 2788.78662 7 _ 1 - 13.2660528
- 20.8939295 + 8.4552092-05 2
- 1.00186856-08 3
2950.00 < < 6000.00 : 481259.023-7559107.28 7 " 1 - 52.43-18889
-16.3761342 - - 2.28373808-04 2
- 2.78997209-08 3
Cr*"*(T) - 2.0 If..^(298.! 5 ) = 2.0 GH S E R N + /?7
GNf"(T) - 3.0 ^."2(298.15 ) = RT +
298.15 <T< 800.00 403075.636 14.3245228 29.5595416 ThiT
0.02413122 2 + 3.6156036E06 3
+ 55714.141 " 1
800.00 < < 2000.00 388937.207 + 158.809275 55.404528
0.0026570492 2 + 1.936561407 3
+ 1536448.48 " 1
2000.00 < < 6000.00 380898.006 + 210.207464 62.295576
+ 6.572645606 2 7.86801210 3
+ 3336949.2 " 1

Table Invariant Reactions.

Reaction Type Compositions I N r /

Liquid ? i fcc,41 + 1 Degenerate .000 .000 .500 933.3


Liquid + gas ^ A1N Peritecticlike .001 .503 .500 2707.7
68 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Comments


Space Group

Al-N (Al) Cu cF4


FmZm

AIN ZnS hP4 Wurtzite


Pfamc
System A l-Nb 69

System AlNb

Solution Phases:
(stable) Liquid, bcc,42, fccAl
(metastable) bccS2, hcp,43

Compounds :
(stable) AIMDO22, , AlNb 3 A15
(metastable) AlTiLl o ,AlM/J0 19

Modelling:

Liquid Substitutional, RedlichKister


bcc-,42 Substitutional, RedlichKister
fccAl Substitutional, RedlichKister
hcp.43 Substitutional, RedlichKister
bcc2 Sublattice model, (Al,Nb) 0 . 5 (Al,Nb) 0 .5(a) 3
The thermodynamic description of the bccB2 takes
into account the ordering reaction bcc,42 # bccB2.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
A1MD022 Sublattice model, (Al) 3 (Nb)
AlNb 3 A15 Sublattice model, (Al,Nb)(Nb) 3
Sublattice model , (Al) 8 (Nb) 4 (Al,Nb), 8
AlTiLlo Sublattice model, (Al)(Nb)
A1MD0,9 Sublattice model, (Al,Nb) 3 (Al,Nb)(D)

Assessor and D a t e :
N. Saunders, 1997.
70 Thermochemical Database for Light Metal A lloys

Thermodynamic properties of the solution and compound phases (J.mol 1 )

Phase AIMDO22
G(T) - 3.0 //A'| (298.15 K) tfifcc_/,1(298.15 K) =
fcc 41

136000 + 24 + 3.0 GHSERA, + GHSERNb


Phase A1MD0, 9
cc A l
G"(T) - 4.0 HJ - (298.15 K) = G(A1:A1:D) = 4.0 GHCPA,
C(T)- 3.0 /7 A fcc_/,1 (298.15K) H^CC~A 2 (298.15 K) = G(Al:Nb:D) =
98000 + 22 + 3.0 GHCPA] + GHCPNb
G(T) - HA CC-A i(298.15 ) 3.0 H^CC~A 2 (298.15 ) = G(Nb:Al:D) =
98000 + 10 + GHCPAI + 3.0 GHCPNb
G(T) - 4.0 H^C~A 2 (298.15 ) = G(Nb:Nb:D)= 4.0 GHCPNb
A K " = 137400 + 60

Ai A Air7b D D 9 = 45760 + 20
r0,AIMD0, 9 4nf)n
^NbrAI.NbrO ^UUU

r o,AiM-Do lonnn
^AI.NbiNbiD 1UUU

Phase AlNb 3 Al5


G(T) - HA - (298.15 ) 3.0 ^~(2985
CC A l
) = G(Nb:Al)
77920 + 4.88 + GHSERA, + 3.0 GHSERNb
G(T) - 4.0 H^CC~A 2 (298.15 K) = G(Nb:Nb) =
20000 + 10 + 4.0 GHSERNb
Cb:AN|bNbA15 = 68000 + 20

5 = l.OE04
,2,AINb 3 AA15 1 onnn
^NbiAl.Nb ~ l^UUU

PhE
fcc_y4I
G(T) - 26.0 //;i (298.15 K) 4.0 H^CC~A 2 (298.15 K) = G(Al:Nb:Al) =
150000 + 96 + 26.0 GHSERA, + 4.0 GHSERNb
G(T) - 8.0 HA CC-A l(298.15 K) 22.0 H^CC~A 2 (298.15 K) = G(Al:Nb:Nb)
635250 + 60 + 8.0 GHSERAi + 22.0 GHSERNb
','., Nh
^A:Nb:AI,Nb = 990000 + 270

AINb.AI.Nb = 420000
System A l-Nb 71

Phase AlTiLln

G(T)- 2.0 tff^1 (298.15 K) = G(A1:A1) = 4 + 2.0 GHSERA,


G(T) - HA lcc-M(298.15 K) H$cc-A 2 (298.15 K) = G(Al:Nb) =
44400 + 5.5 + GHSERA, + GHSERNb
G(T) - HA CC-M(298.15 ) //f0""42 (298.15 ) = G(Nb:Al) =
44400 + 5.5 + GHSERAI + GHSERNb
G(T) - 2.0 H^cc-A 2 (298.15 K) = G(Nb:Nb) = 2.0 GFCCNb

^AiANb:fl = 80800 + 30

AiAA[.NbL1 = 80800 + 30

S10 = 37600

b'0 = 37600
Phase bcc,42

'|bNbTo2 = 104050 + 30

ANbTa2 = 91404

AlNbTa2 = 12000

Phase bccB2

G"(T) - HA fc-A l (298.15 K) = G(A1:A1) = 0


G"(T) - 0.5 //Aifcc_j41(298.15 K) 0.5 H^CC~A 2(298.15 K) = G(Al:Nb)
8650 +
G(T) - 0.5 //A'lfcc41(298.15 ) 0.5 H^'^(298.15 ) = G(Nb:Al)
8650 +
G(T) - HNCC-A 2(298.15 K) = G(Nb:Nb) = 0
r O.bccB2 occn
L 0 0 U _ l
Al:A\,Nb:a ~

^Nb:AI,Nb:D = 8650

1
LO,bec B2 0cn
Al,Nb:AI:G DOU ~ *

LO,bec B2 QCcfi
D 0 U _ l

AI,Nb:Nb:n
72 Thermochemical Database for Light Metal A lloys

Phase bccB2

G A , :Nb:0 = 8650 +

G"() - 'lfcc"/" (298.15 ) = G(A1:A1:) = 0.0

G(T) 0.5 HA -CC-Al (298.15 ) 0.5 tf'bbcc/t2(298.15 ) = G(Al:Nb:D) = 2


0 G
l:Nb:0

G(T) - 0.5 H^CC~A1 (298.15 ) 0.5 //' bcc "' 42 (298.15 ) = G(Nb:AI:G) = 2 Gl:Nb:n

G(T) - H^CC~A 2(298.15 ) = G(Nb:Nb:D) = 0.0

Phase bcc,42

L
A'|bb"2 = !4050 + 30 T
A f e a 2 = 9140 4 T
4 = 12000

Phase fcc,41

u^o' = 113500+21.1 T

ifS^1
vAI,Nb:0 = 5000

C = 1000
Phase hcp,43

3 = 113500 + 21.1 T

A i * = 5000
n3
JAI,Nb:D = oooo
Phase liquid


Al'.Nbd = 91000 + 25

A" = 6000

ANb" = I5000
System Al-Nb 73

2800

Al XNb - * Nb

Table I - Invariant R e a c t i o n s .

Reaction Type Compositions *Nb /

Liquid + Al3Nb" F* kc-Al Peritectic .000 .250 .001 934.2


Liquid r Al3Nb* + Eutectic .412 .250 .596 1832.1
Liquid + AINb; ^ a Peritectic .647 .772 .683 2237.6
Liquid + bcc-,42 ? AINb" Peritectic .718 .831 .782 2333.7
Al 3 Nb' r=i Liquid Congruent .250 .250 1955.5

Al 3 Nb-D0 22
Cr 3 Si-.415
74 Thermochemical Database for Light Meta] Alloys

Table II - Crystal S t r u c t u r e and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Al-Nb (Al) Cu cF4 M 4


FmZm

(Nb) W ell M 2
ImZm

AlNb 3 Cr 3 Si cPS Al 2 cub-,415


Pmln Nb 6

AlNb 2 cr-CrFe fP30 Al, 2


P42/mnm Nb, 4
Alj 8
Nbj 8
Nb 3 8

Al 3 Nb Al 3 Ti US Nb 2 AIM-DO22
4/mm3m Al, 2
Al, 42
System Al-Nd 75

System Al-Nd

Solution Phases:
Liquid, bcc-,42, dhcp
Compounds:
AlNd 3 -H, AlNd 3 -L, Al 3 Nd, AINd, AlNd 2 , AlNd 3 ,
Laves-C15
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
dhcp Substitutional, Redlich-Kister
Al,,Nd 3 -II Stoichiometric (Al)(Nd) 3
AlNd 3 -L Stoichiometric (Al)(Nd) 3
Al3Nd Stoichiometric (Al) 3 (Nd)
AINd Stoichiometric (Al)(Nd)
AlNd 2 Stoichiometric (Al)(Nd) 2
AlNd 3 Stoichiometric (Al)(Nd) 3
Laves-G15 Stoichiometric (Al) 2 (Nd)

Assessor and Date:


G. Gacciamani, G. Borzone, R. Ferro
Publication:
G. Gacciamani, G. Borzone, R. Ferro, Anales de Fisica
86B, 160-162 (1991)
Revised in 1997.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A l n N d 3 - H

G(T) 1.0 IIAlcc-M (298.15 K) - 3.0 7/'ddhcp(298.15 K) =


- 526776.18 + 114.5827 + 11.0 GHSFR A1 + 3.0 G H S F R N H

Phase A l , , N d 3 - L
rO.fcc- , ro.dhrp/
G(T) 0 UM (298.15 ) - 3.0 //d (298.15 ) =
548308.18 + 132.1646 + 11.0 GHSF,RA, + 3.0 GHSF,RNd
76 Thermochemical Database for Light Metal A lloys

Phase LavesGl5

G(T) - 2.0 UMtcc~M (298.15 K) /ftdhcp(298.15 K) =


158935.47 + 41.37165 + 2.0 GHSERAI + GHSFRNd

Phase Al 3 Nd

f7(T) 3.0 //',fcC_>ll(2i)8.15 ) Ilfhcp(298.15 ) =

181169.24 + 47.75868 + 3.0 GHSERA, + GHSERNd

Phase AlNd 2

G"(T) - UA CC-M (298.15 ) 2.0 / / ^ ^ . ) =

- 107787.66 + 37.00017 + GHSERA, + 2.0 GIISERNd

Phase AINd

G(T) - irAicc~M (298.15 K) - Iffhcp(298.15 K) =


Phase AINd 3
99854.84 + 34.32248 + GHSER A, + GIISERNd

G(T) - UA icc-M (298.15 K) 3.0 /7ddhcp(298.15 K) =


107474.72 + 35.0142 + GHSERA, + 3.0 GHSFRNd

Phase bcc,42

INHTO2 = 113226+ 45.05

^NdTo2 = 10340 15.93


Phase feeA l

rO.fcc- r.

',

Phase Liquid

/
Al,iN.H = 125909.87 + 56.16354 - 21805836 "'

^A'Ndd = 35170.8133.34898 - 32643234 " 1


System A l-N 77

2000

1800

^ 100-

Al ^Nd Nd

Table I Invariant Reactions.

Reaction Type Compositions *Nd /

Liquid F A l n N d 3 L + fcc,41 Eutectic .030 .000 .214 898.6


Liquid + LavesCI5" ** Al M Nd 3 H Peritectic .170 .333 .214 1506.6
Al,lNd 3 H + AI2Nd # Al3Nd Peritectic .214 .333 .250 1475.8
Liquid + AINd ^ Al2Nd Peritectic .643 0.500 .333 1220.3
Liquid + AINd ? AINd2 Peritectic .696 .500 .667 1122.2
Liquid + AlNd2 AINd 3 L Peritectic .780 .667 .750 1037.9
Liquid ? AINd 3 L + bcc,42 Eutectic .815 .750 .920 1008.9
bcc,42 ^ AINd 3 L + dhcp Eutectoid .939 .750 1.000 855.3
Al2Nd ^ Liquid Congruent .333 .333 1758.0
AI,,Nd 3 L ^ AlNd 3 H Polymorphic .214 .214 1224.7

LavesC15 = Al 2 Nd
78 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices Comments

ALNd (Al) Cu cF4 M 4


Fm3m

(Nd) La-or hP4 M 4


PGs/mmc

(Nd) W eli M 2
Im5m

Al,,Nd3-r Ali,I,a 3 o oIlS AI,,Nd 3 -L


Immm

Al,,Nd3-/3 Al,Ha 1118 Al,,Nd 3 -H


14/mmm

AI3Nd Ni3Sn hPS


P6 3 /mmc

Al2Nd Cu2Mg cF24 Nd 8 Laves-CIS


FdZm Al 16

AINd AlEr oP\6 Al 1


Pmmma Nd 1

AlNd2 Co2Si oPI Al 1


Pnma Nd 3

AlNd3 Ni3Sn hPS Al 1


P6 3 /mmc Nd 3
System A l -Si 79

System AlSi

Solution Phases:
(stable) Liquid, fcc-A l
(metastable) hcp/13

Modelling:

Liquid Substitutional, RedlichKister


fcc-Al Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
diamond Substitutional, RedlichKister

Assessor and Date:


J. Grbner, ILL. Lukas, and F. Aldingen
Publication:
Calphad, 20, 2 (1996) 247254.

T h e r m o d y n a m i c properties of t h e solution phases(J.mol ' )

Phase fcc,41
rO.fccAl
''AI,Si:D 3143.78 + 0.39297

Phase hcp,43
r O.hrpA.T
' y AI.Si:0 3143.78 + 0.39297

Phase diamond
r 0,diamond
'Al.Si 113246.1647.5551

Phase liquid
r 0,liquid
''Al.Si " 11340.1 1.23394

j 1 .liquid
'Al.Si 3530.93 + 1.35993

2.liquid
'Al.Si 2265.39
80 Thermochemical Database for Light Metal Alloys

L
2000-1 1 1 " 1 ' " ' '

dlomond

fcc-yt1

5 0 t
H 1 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Al Si
Table I Invariant Reactions.

Reaction Type Compositions xsi T/K

Liquid ? fcc-,41 + diamond Eutectic .122 .016 1.000 850.1

Table II - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol


Space Group

Al-Si (Al) Cu cF4


FmZm

(Si) diamond cF8


Fd3m
System Al Sn 81

System AlSn

Solution Phases:
(stable) Liquid, fcc-,41, bct-,45
(metastable) : hcp-,43

Modelling:

Liquid Substitutional, Redlich-Kister


fcc-Al Substitutional, Redlich-Kister
hct.-A5 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor and Date:


S. Fries, and ILL. Lukas,
Publication:
"Cost.507 New Light Alloys", Leuven Proceedings,
F.d. G. Effenberg (1991)

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase bct-,45

r 0.bct-A5
U.hCt-
''Al.Sn
= 14136.95 - 4.71231
Phase fcc-,41
r O.frc-Al
''AI,Sn:0 = 45297.84 - 8.39814
Phase hcp-,43
r O.hrp-A.l
''ALSiirO = 0.00001
Phase liquid
r 0,liquid
''Al.Sn = 16329.85 - 4.98306

r 1 .liquid
'-Al.Sn = 4111.97 - 1.15145

r 2.liquiH
'-Al.Sn = 1765.43 -0.57390
82 Thermochemical Database for Light Metal A lloys

1000- J I I I I I I I L

Al ">Sn Sn
Table I Invariant Reactions.

Reaction Type Compositions xs /

Liquid ? fcc,41 + bet-A H Eutectic .980 .000 .990 502.4

Table II C rystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol


Space Group

AlSn (Al) Cu cF4


FmZm

(Sn) /5Sn 114


4i/amd
System A l-Ta 83

System AlTa

Solution Phases:
(stable) Liquid, bcc,42, fcc-A l
(metastable) b c c 2 , hcp,43

Compounds :
(stable) A1MD0 22 ,
(metastable) AlTiLlo,AlMD0,9

Modelling:

Liquid Substitutional, RedlichKister


bcc-,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcpA3 Substitutional, RedlichKister
bccB2 Sublattice model, (Al,Ta) 0 .5(Al,Ta) 0 . 5 (D) 3
The thermodynamic description of the bccB2 takes
into account the ordering reaction bcc,42 # bcc-B2.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
AIMDO19 Sublattice model, (Al,Ta) 3 (Al,Ta)(D)
A1MD0 22 Sublattice model, (Al) 3 (Ta)
Sublattice model , (Al) 8 (Ta)(Al,Ta), 8
AlTiLlo Sublattice model, (Al,Ta)o.s(,TaTa)o.5

Assessor and D a t e :
N. Saunders, 1997.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A1MD0 2
CC_ 41 cc A2
G(T) - 3.0 /Y^
Al ^ o . i u c , H^ - (298.15
V(298.15K) K) =
130456 + 23 + 3.0 G H S E R A I + GHSER T a
M Thermochemical Database for Light Metal A lloys

Phase Al 3 Ta 2 H

G(T) - 3.0 UA icc~M (298.15 K) 2.0 ^~2(2985 K) =


145000 + 17.325 + 3.0 GHSERAI + 2.0 GHSERr

Phase Al 3 Ta 2 L

r7(T) 3.0 HA icc-M (298.15 K) 2.0 H^CC~A 2 (298.15 K) =


155000 + 24 + 3.0 GHSERA, + 2.0 GHSERr*
Phase A1MD0, 9

<7(T)4.0 //A',frc>"(298.15K) = G(A1:A1:D) = 4.0 GHCPA,


G(T) 3.0 HA ZC~A (298.15 ) H^C~A 2(298.15 ) = G(Al:Ta:D) =
96000 + 22.52 + 3 GHCPAI + GllCPra
<7(T) /7,fcc^(298.15 ) _ 3 . 0 / / " f ^ 2 (298.15 K) = G(Ta:Aha) =
96000 + 22.52 + GHCPAI + 3 GHCPTa
G"(T) - 4 /^"' 42 (298.15 ) = G(Ta:Ta:0)= 4 + 4 GHCPTa
LuTM~un" = - 200000 + 6,0
Al, ::0

/'.'1 = - 66000 + 20
' AI:AI, la:u
r0,AlM-D0,9 _ OQQQ

'':,: """

/,0A.l ,IH:
!-;"'
lit:U
9
= 20000
Phase

G(T) - 26 0*0-*1 (298.15 ) - 4 H^CC~A2(298.15 ) = G(Al:Ta:Al) =


- 300000 + 9 0 + 26 GHSERAI + GHSERTa
G(T) - 8 IIM,CC~M (298.15 K) - 22 H^CC~A2(298A5 K) = G(Al:Ta:Ta) =
- 657000 + 9 0 + 8 GHSERAI + 22 GHSERTa
0
.:... = - 1230000 + 450

:... = lOE-4

.::,. = 300000
System A l-Ta 85

Phase AlTil 0

<7()2.0 HA CC-M (298.15 ) = G(A1:A1) = 4 +2.0 GHSERA|


G(T) - //A/ (298.15 K) H^CC~A 2 (298.15 K) = G(Al:Ta) =
71000 + 15.0 T + G H S E R A ; + GHFCCT
G(T) - IIM'CC~M(298.15 K) //;bcc42(298.15 K) = G(Ta:Al) =
71000 + 15.0 T + GHSERA/ + GHFCCTo
G"(T) - 2 Ilcc-A 2(298.15 K) = G(Ta:Ta) = 2 GFCCro
^A!T"I LI = - 56000 + 20 T

4 S ' ' = 30000


2000
AIA"" =
*!./'' = - 56000 + 20

LMMJ~*!A = 30000

f-S'' = 20000
Phase bcc-,42

1\,'2 = - 89000 + 30

J
^ = -5000

2
'A = 15000
Phase bcc-/32

G(T) - IIM'CC~A (298.15 K) = G(A1:A1) = 0


G(T) - 0.5 HAcc'Al(298.15 K) - 0.5 //^ bcc_/,2 (298.15 K) = G(Al:Ta)
- 8250 + T
G(T) - 0.5 rYA'1fcc-"l,(298.15 K) - 0.5 H^C~A2(298.15 K) = G(Ta:Al)
- 8250 + T
G(T) - Hcc-A2(298.15 K) = G(Ta:Ta) = 0
' = 8250-T

C = 8250-T

' w = 8250-T

'AS:O = 8250-T
86 Thermochemical Database for Light Metal A lloys

Phase b c c 2

Gl:Ta:D = " 8250 +

G"() - f"""1 (298.15 ) = G(A1:A1:0) = 0.0

G(T) - 0.5 HA CC-A i (298.15 ) 0.5 7/; bcc 42 (298.15 ) = G(AI:Ta:D) = 2


0 G
l:T:0

G"() - 0.5 H]fc-M (298.15 ) 0.5 H^cc-A2 (298.15 ) = G(Ta:AI:D) == 2.0 G,.Ta:D

G"(T) tf;bcc_j42(298.15 K) = G(Ta:Ta:D) = 0.0

bcc,42

L 2 89000
,T^O = - + 30

2
iS = 5000
4 { w ! = 15000

Phase cc-A l

,1 = - 100000 + 30 T

Phase hep-A3

1
73 = - 100000 + 30 T

Phase liquid


AI,Tad = 108000 + 30

L
Al'Tad = 600

1700
AIS" =
System Al-Ta 87

2800

Al "'T. Ta

Table I - Invariant Reactions.

Reaction Type Composi! ions *Ta

Liquid + AIM-D0 2 , ^ fee-A\ Peritectic .00001 .250 .0008 934.0


Liquid 5=* + AIM-O0.J2 + Al 3 Ta 2 -H Eutectic .366 .250 .400 1826.8
Liquid r=* Al 3 Ta 2 -H r* + Eutectic .444 .400 .576 1819.8
Liquid + bec- ?* Peritectic .643 .877 .720 2270.4
AI3Ta" Liquid Congruent .250 .250 1901.0
AI 3 Ta 2 -H ^ Al 3 Ta 2 -H Polymorphic .400 .400 1498.1

A1M-D022 = AI3Ta
88 Thermochemical Database for Light Metal Alloys

T>ble II - Crystal S t r u c t u r e and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

AI-Ta (Al) Cu cF4 M 4


FmZm

(Ta) W ell M 2
ImZm

AlTa2 (T-CrFc P30 Al, 2


P4 2 /mnm Ta, 4
Al-, 8
Ta2 8
Ta 3 8

Al3Ta AI3Ti t IS Ta 2 A1M-/0 22


14/mmZm AI, 2
AI, 42

AI3Ta2-L o"

Al3Ta2-II o'14
System A l-Ti 89

System AlTi

Solution Phases:
(stable) Liquid, bcc,42, fcc-A l, hcp,43, AIMDO, 9 , AlTiLl 0
(metastable) bcc2

Compounds:
A1MD0 22 , Al 2 Ti, Al,,Ti 5
Modelling:

Liquid Substitutional, RedlichKister


bcc.42 Substitutional, RedlichKister
fccAl Substitutional, RedlichKister
bcc2 Sublattice model, (Al,Ti)o.5(Al,Ti) 0 . 5 (n) 3
The thermodynamic description of the bccB2 takes
into account the ordering reaction bcc,42 =* bccB2.
Two descriptions are given: one using equations
23 and 27, the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
hcp,43 Substitutional, RedlichKister
A1MD0,9 Sublattice model, (Al,Ti)(Al,Ti) 3 (a) 0 5
Llo.41Ti Sublattice model, (Al,Ti)(Al,Ti)
AlM)0 22 Stoichiometric, (Al) 3 (Ti)
Al 2 Ti Stoichiometric, (Al) 2 (Ti)
A1TU Stoichiometric, (Al),,(Ti)5

Assessor and D a t e :
N. Saunders (1992)

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase AlTiZ,l 0

G(T) - 2.0 HA fM (298.15 K) = G(A1:A1) = 2.0 GHSER A ,


CC A 1
G(T) - HA - (298.15 ) Htfcp~A 3(298.15 ) = G(Ti:Al)
79644.0 + 19.2 T+ GHSER A , + GHSER T
90 Thermochemical Database for Light Metal A lloys

G'() - IfA cc-A \298.15 ) H^-*3 (298.15 ) = G(ALTi) =


79614.0 + 19.2 T+ GHSERAI + GHSERT
G"() - 2.0 //;h'"p'43(2)8.15 ) = G(Ti:Ti) = 2.0 CFCCTi
LMATJMAO = - 89892 + 44

'A'' = 30000
r2,AITi-.l0
, 20000

^AI A
ATT/''
'AhAI.'l = - 89892 + 44
1.AIT/.1
rAkMT, = 30000

LMMJZ,'AO = 20000

^ThT.T/', = 151342.36

LMAT,mA = - 15134 2.36

Phase AIMDO 1!)

<7(T)4.0 HA CQ-M(298.15 ) = G(A1:A1:D) = 4.0 GHCPAI


G" () 1Illcc~M (298.15 K) 3.0 //fihcp'43(298.15 K) = G(Ti:Al:D) =
110080 + 23.88 T + GHSERA, + 3.0 GIISERTi
G"(T) - 3.0 HA CC-A i (298.15 K) /fT;hcp'43(298.15 K) = G(Al:Ti:0) =
99120.0 + 32.28 T+ 3.0 GHSERAI + GHSERTi
rp A 3
<7(T)4.0 H^ - (298.15 K) = G(Ti:Ti:D) = 4.0 GIISERTi
0 A D 9
L M ^:M ' = 298200 + 100 T

/,'^" = 320004 T

l'AUM-r" = - 98968 + 33.3 T

Thvrio1 = 106561.332 T
Phase Al 2 Ti

G(T) - 2.0 //A, (298.15 K) // hrp /,3 (298.15 K) =


121500 + 31.2 T+ 2.0 GHSERAI + GHSERTi
System A l-Ti 91

Phase A1MD022

G'() - 3.0 //Aifcc_'4,(298.15 K) /rhcp'43(298.15 K) = G(Al:Ti) =


144592.0 + 37.024 T+ 3.0 GHSERAI + GHSERT
G"() - 4.0 //rihrp'43(298.15 ) = G(Ti:Ti) =
GFCCTI
'S'*'" = 60000

Phase "Al,,Ti 5 "

G(T)- 17.0 HA CC-A i (298.15 K) 8.0 //:hcp^3(298.15 K) =


971125.0 + 236.4 T + 17.0 GHSERA, + 8.0 GHSER n

Phase bcc,42

r
-Mbj7a2 = 128500 + 39 T

'- 2 = 6000

'-,'42 = 21200

Phase bcc-D2

G"(T) - irMfcc~Ai (298.15 K) = G(A1:A1:D) = 0


G"(T) - 0.5 //Aifcc_/U(298.15 K) - 0.5 /V^"- 42 (298.15 K) = G(ALTi:D]
- 8750 + 1.25 T
G"(T) - 0.5 HAlcc-M(298.15 K) - 0.5 f/;bcc-42(298.15 K) = G(Ti:Al:D)
- 8750 + 1.25 T
G(T) - //'bcc-/,2(298.15 K) = G(Ti:Ti:) = 0
S = 87501.25

f^TkiTni = 8750 1.25

'Alho = 87501.25

AUTA = 8750 1.25


92 Thermochemical Database for Light Metal A lloys

Phase bccB2

G A1:Ti:D = 8750 + 1.25

G(T) - r7Afcc>n (298.15 K) = G(A1:AI:0) = 0.0

G(T) 0.5 HA CC-A i (298.15 ) 0.5 //; hcp_/,3 (298.15 ) = G(Al:Ti:0) - 2.0 G AhTi:G

G"(T) - 0.5 Hcicc~M (298.15 K) 0.5 H^ hcp_,43 (298.15K) = G(Ti:Al:D) = 2.0 C A1 . Ti:D

G(T) /4 hcp_>,3 (298.15 K) = G(Ti:Ti:D) = 0.0

Phase bcc,42

iM,TVa2 = - 128500 + 39

'''42 = 6000

4',2= 21200

Phase fcc-

LA^' = 128970 + 39

l\**r"
AI,Ti:0 = 5000

^Aijho' = 20000

Phase hep.43

0,73 = - 133500 + 39

LMJXC?3 = 750.0

I2MhT7a3 = 17500.0
System Al-Ti 93

Phase liquid

rU,liquid
'-. - _ 108250 + 38
1 .liquid
'-Al.Ti 6000 + 5
2,liquici
-'
', 15000

J I I I I

Al Ti
Table I - Invariant Reactions.

Reaction Type Compositions x T i

Al,,Ti 5 + AlTi- ^ A12T Peritectoid .320 .388 .333 1454.3


AI,,Tis AIM' + / Eutectoid .320 .250 .333 1259.8
Liquid + Al,,Ti 5 ^ AIMD0; 2 Peritectic .247 .320 .250 1627.7
Liquid + AIMO0 22 c* fcc,41 Degenerate .001 .250 .000 934.2
Liquid + AITiLl 0 ^ AI,,Tis Peritectic .310 .380 .320 1651.9
Liquid + hrp-A Z r=* AITi/,l 0 Peritectic .436 .498 .459 1716.7
Liquid + bcc,42 ^ hrp,43 Peritectic .491 .555 .540 1775.9
hcp,43 ^ U0-A \T\ + AIMDOig Eutectoid .595 .518 .607 1384.4
AIM00,9 ^ hcp,13 Congruent .682 .682 1452.0
bcc,42 ^ liquid Congruent .788 .788 1989.0

I MDO., = AI:iTi
94 Thermochemical Database for Light Metal A lloys

Table II C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub


Space G r o u p lattices

AlTi (Al) Cu cF4_ M 4


FmZm

(Ti) Mg hP2 M 2
P&i/mmc

(Ti) W cI2 M 2
ImZm

AITi AuCu tP4 Al 2 AlTiLlo


P4/mmm Ti, 1
Ti, 1

AlTi3 Ni 3 Sn hP8 AIMDO19


'fo /mmc

A1,T Ga2!ir 1124


I4\/nmd

12- Ga2Zr oCI2 transformation not


taken into account
in [90Mas]

AI 3 Ti AI 3 Ti 118 Al, 2 AIMD022


I4/mmm Al 2 4
Ti 2

AI5T3 IP32
14/mbm

S AI 3 Zr 1116 AITi5
from [91 Vil]

AlsTi3 IP32 metastable


14/mbm
System Al-V 95

System Al-V

Solution Phases:
Liquid, bcc-,42, fcc-,41

Compounds:
A1,OV,A1TV, A123V4, A1M-D0 22 , Al e V 5

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
AlioV Stoichiometric (Al).o(V)
A17V Stoichiometric (Al)r(V)
A123V4 Stoichiometric (A1) 23 (V) 4
AIM-DO22 Stoichiometric (A1)3(V)
A18V5 Stoichiometric (AI).(V) B

Assessor a n d E a t e :
N. Saunders (1991)

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase A1,0V

G(T)-10.0 // A ' l fcc - /n (298.15 K) - //v' bcc_/,2 (298.15 K) =


- 111221 + 18.909 T + 10.0 G H S E R A I + GHSERv

Phase A1 23 V 4

G(T)-23.0 IIM(CC~M(298.15 K) - 4.0 Hy-hcc-A2(298.15 K) =

- 430650 + 64.665 T + 23.0 GHSER A | + 4.0 GHSERv

Phase A1M-D0 2 2

G(T) - 3.0 H"Aicc-M(298.15 K) - // v ' bcc_y,2 (298.15 K) =


- 104308.0 + 15.2 T + 3.0 GHSFRA, + GHSERv
96 Thermochemical Database for Light Metal A lloys

Phase A17V

G(T) - 7.0 HA fc-M(298.15 K) Hyhcc-A 2(298.15 K) =


108800.0 + 16.8 + 7.0 GHSERAI + GHSERv

Phase A18V5

G(T)8.0 HA CC-A (298.15 ) 5.0 //v'bcc_y42(298.15 ) =


294320.0 13.0 + 8.0 GHSERAI + 5.0 GHSERv
Phase bcc,42

rO,bcc-A2
''AI.ViG 95000 + 20
j l,bcr-A 2
''AI,V:D 6000

Phase feeAl

I/,ca;0A = 69800 + 15

r 11.1er
. f e r - Al
= - 8000
',
Phase liquid

/-,|7 iH = - 50725 + 9
r 1 .liquid
'JAI,V 15000 + 8

Table I - Invariant Reactions.

Reaction Type Composi! ionf iv

Liquid + AIM-D0; 2 ? A123V4 Peritectic .003 .250 .148 1007.3


Liquid + AI23V4 ^ ALV Peritectic .002 .148 .125 969.0
Liquid + AI7V ^ AI,oV Peritectic .001 .125 .091 945.2
Liquid + AI10V ^ fcc-Al Peritectic .000 .091 .001 935.3
Liquid + AlsVs AIMDO^ Peritectic .167 .384 .250 1640.1
Liquid + bcc-A I ^ AI8V5 Peritectic .376 171 .384 1932.7

A1MD0 22 .,
System Al-V 97

0.015 0.02 0.025


98 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Al-V (Al) Cu cF4 M 4


Fm3m

(V) W r/2 M 2
ImZm

A13V AI3Ti t IS Al, 2 A1M-D0 22


I4/mmm Al2 4
V 2

Al8Vs CusZng c 151 , 24


I4Zm M, 8
2 12
V 8

AI 21 V 2 A121V2 cF\n Al, 16 described as


FdZm 2 48 AI10V
Al 3 96
V 16

AI23V4 A1S3V< 54
P6 3 /mmc

AI45V7 AU5V7 mC104 described as


C2/m AI7V

AIV3 Cr3Si cP8 Al 2 A,5 stable?


PmZn V 6
System A-Y 99

System Al-Y

Solution P h a s e s :
Liquid, bcc-,42, fcc-,41, hcp-,43
Compounds:
AI3Y, A12Y, A1Y, AljYa, A13Y5, A1Y2
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fcc-.41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
A13Y Stoichiometric (A1)3(Y)
A12Y Stoichiometric (A1)2(Y)
1 Stoichiometric (A1)(Y)
A12Y3 Stoichiometric (A1) 2 (Y) 3
AI.3Y5 Stoichiometric (A1) 3 (Y) 5
A1Y 2 Stoichiometric (A1)(Y)2

Assessor and Date:


ILL. Lukas, 1993

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol )

Phase A1 2 Y

G(T) - 2.0 o,fee-1 (298.15 K) - //y' h c p - 4 J (298.15 K) =


246018.0 + 35.32809 + 2.0 GHSE R A , + GIISFR Y

Phase A1 2 Y 3

( 7 ( T ) - 2 . 0 / / A l f r c - / U ( 2 9 8 . 1 5 K ) - 3 . 0 // Y ' h c p - 4 3 (298.15 K) =
- 373605.0 + 84.410 + 2.0 GIISF,RA, + 3.0 GIISFR>
100 Thermochemical Da<a/>a.se for Light Metal Alloys

Phase A13Y
G"(T) - 3.0 HA'I - (298.15 K) - 7/'v'hcp-'4:,(298.15 K) =
CC A1

- 267460.0 + 46.48084 + 3.0 GHSERA, + GIISF,RY

Phase A1)Y5
G"(T) - 3.0 HAi ~ (298.15 K) -5.0 //Y'hcp_/,3(298.15 K) =
cc M

- 564479.2 + 127.7201 T + 3.0 GHSERA, + 5.0 GHSERY

Phase A1Y
cc M
G(T) - irA! - (298.15 K) - II Y'Kcp-/13(298.15 K)
173810.0 + 40.86831 T + GIISFRA, + GHSERc

Phase AIY2
G"(T) - tlAicc-M (298.15 K) - 2.0 /7Y'hrp->l3(298.15 K) =
- 190908.0 + 44.38629 T + GHSERAI + 2.0 GIISFRy
System Al Y 101

Phase bcc-,42

'AI.Y:0 90 T

Phase hcp-,43

rO,hcp-A3
',: = 90

P h a s e liquid

rO,liquid
'. 202611.28 +4.63942

r 1,liquid
', 54350.11 + 0.28402

r 2,liquid
'', 83347.01 - 34.76401

r 3,liquid
', 15488.69 - 0.7988

,liquid
', ~
51205.9 + 30.2161

Table - Invariant R e a c t i o n s .

Reaction Type Compositions Xy

Liquid ^ A13Y + fcc-,41 Eutectic .020 .000 .250 913.0


Liquid + A12Y ^ AI3Y Peritectic .114 .333 .250 1253.0
Liquid + AI2Y ^ AIY Peritectic .516 .330 .500 1403.0
Liquid ^ AIY + AI2Y3 Eutectic .581 .500 .600 1361.2
Liquid + A12Y3 ? AI3Y5 Peritectic .707 .600 .625 1302.5
Liquid + 35 ^ AIY2 Peritectic .757 .625 .666 1258.0
Liquid ^ AIY2 + hcp,43 Eutectic .667 .783 1.000 1239.0
hcp,43 ^ bcc-A I Allotropie 1.000 1.000 1752.0
Liquid ? A12Y Congruent .333 .333 1734.0
Liquid ;=* AI 2 Y 3 Congruent .600 .600 1364.0
102 Thermochemical Database for Light Metal A lloys

Table II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lal (ices

AIY (Al) Cu cF4 M 4


FmZ m

(Y) Mg hP2 M 2
Pfy^/mmc

(Y) W C2 M 4
ImZm

Al 3 Ya Ni3Sn hP8 Al 6
Pfo/mmc Y 2

AI3Y/3 naPh 3 hR12 Al, 9


A3 m Al, 18
Y. 3
Y2 6

, Cu, Mg cF24 Al 16
FdZm Y 8

AIY CrB 0C8 Al 4


Cmcm Y 4

AI,Y 3 AI,Zr 3 IP20 Al 8


P4i/mnm Yi 4
Y2 4
.3 4

AIY2 Co2Si 0PI2 Al 4


Pnma Y, 4
Y2 4

AIY3 AiiCu3 cP4 Al 1 Ll 2


PmZm Y 3 metastable
35 Mn 5 Si 3 hP16 impurity
Pfiz/mcm stabilized [91V il]
System Al-W 103

System Al-W

Solution Phases:
(stable) Liquid, bcc-,42, fcc-Al
(metastable) bcc-B2, hcp-,43

Compounds:
(stable) A1,2W, A14W, AI5W, A177W23, A17W3, A12VV
(metastable) A1M-D0.9, AlTi-Llo

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fee- Al Substitutional, Redlich-Kister
hcp-.43 Substitutional, Redlich-Kister
A1,2W Stoichiometric, (A1) I2 (W)
AI5W Stoichiometric, (A1)5(W)
A1 4 W Stoichiometric, (A1)4(W)
A17TW23 Stoichiometric, (A1)77(W)23
A1 7 W 3 Stoichiometric, (A1) 7 (W) 3
cub .415 Stoichiometric, (A1)(W) 3
A12VV Sublattice model, (A1)2(W)
bcc-B2 Sublattice model, (Al,W)o. 5 (AlW)o. 5 (0) 3
The thermodynamic description of the bcc-B2 takes
into account the ordering reaction bcc-,42 ^ bcc-B2.
Two descriptions are given: one using equations
23 and 27, the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
A1M-D0, 9 : Sublattice model, (Al,W) 3 (Al,W)(O) 0 5
AlTi-Llo : Sublattice model, (A1,W)(A1,W)

Assessor and D a t e :
N. Saunders, 1996.
104 Thermochemical Database for Light Metal Alloys

4000

Al ^w
W

Liquid 4- Al, W
1200-

Liquid + A I . W

Lkid t A I , , W

fcc- fcc- + AI,,W


800

700- 1 1 1
0.0 0.005 0.01 0.015 0.02 0025

Al ^W
System -W 105

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase A112W

G(T) - 12.0 I1A icc-M(298.15 K) r7^bcc"i42(298.15 K) =


62400 + 9.49 + 12.0 GIlSERAi + GIISERw

Phase A14W

G(T) - 4.0 HA CC-M (298.15 ) /7wbcc_/,2(298.15 ) =

57500 + 9.73 + 4.0 GHSERAI + GIISERw

Phase A15W

G(T) - 5.0 HA lrc-M (298.15 K) If^bcc-A 2(298.15 K) =

58416 + 8.4 + 5.0 GIISFRA, + GIISERw

Phase A12W

G(T)- 2.0 //A,fcc'41(298.15 K) /"/wbcc42(298.15 K) =

13536 22.38 + 2.0 GIISERAi + GIISERw

Phase A177W23
Acc 2
G(T)-77.0 HM'CC
A
~ (298.15K)-23.0 Iltf ~ (298.15 K) =
189300 400 + 77.0 GHSERAI + 23.0 GIISERw
Phase A17W3
Phase AIMDO 19
c M
<7(T)7.0 HA f - (298.15 K) 3.0 //wbcc_/12(298.15 K) =
frc /U
G"(T) - 4.0 //Ai34700 70 K)
(298.15 + 7.0
= G(A1:A1)
GHSERA=, + 3.0 GIISERw
4.0 G1IC PA1
G(T) - 1IM<CC-M(298.15 K) 3.0 //wbcc'42(298.15 K) = G(W:A1) =
12716+15.16 + GIICPA, + 3.0 GIICPW
G"(T) - 3.0 HA irc~M (298.15 K) // w bcc_/,2 (298.15 K) = G(ALW) =
12716 + 15.16 + 3.0 GIIGPAi + GIICPW
G"(T) - 4.0 //wbcc_/12(298.15 K) = G(W:W) =
4.0 GIISERw
106 Thermochemical Database for Light Metal Alloys

Phase bcc,42

L
Mbw7n2 = - 27000 + 25
1
C = 10000
Phase bccf2

G"() - HMfcc~A l(298.15 ) = G(A1:A1:D) = 0.0


G70(T) 0.5 HA ;cc-A i(298.15 ) 0.5 // w bcc_42 (298.15 ) = G(W:A1:) =
l.OE4
G(T) - 0.5 HA CC-A 1 (298.15 ) 0.5 //wbcc"'42(298.15 ) = G(A1:W:D) =
1.0E4
G(T) - //wbcc_/42(298.15 K) = G(W:W:) = 0.0
S = 10E4
T = l.OE4
:4fn
'A1,W:AI:D = i.oE-4
rO,bcc-B2
-0,bcc-fl 2 , ? ,
1,::
lW-I-n = l.OE-4

Phase bccB2

GhWiO = lOE4

G(T) Mfcc~A l (298.15 K) = G(A1:A1:D) = 0.0

G"(T) - 0.5 // A i fcc /U (298.15 K) 0.5 tfwbcc"2(298.15 K) == G(AI:W:D) 2.0 G A |. w . a

G(T) 0.5 //cu C C _ A 1 ( 2 9 8 1 5 K ) 5 / / w b c C _ / 1 2 ( 2 9 8 1 5 K ) = = G(W:AI:D) = 2 0 G


A| : W:G

G(T) // w b c c _ / , 2 (298.15 K) = G(VV:W:D) = 0.0

Phase bcc,42

L
A\yi7a2 = - 27000
+ 25

2
^ 7 = - 10000
System Al-W 107

P h a s e fcc-,41

rO.frr-Al
''AI.W:0 = - 19250 + 20.2

j .-r-Al _ - 10000

Phase hcp-,43

jU.hrpA - 19250 + 20.2


''AI,W:Q

r l.hrp-,13
''Al,W:Q - 10000

Phase liquid

0.liquid
r
'AI.W - 70000 + 35

r 1i . .liquid
''AI.W
uqi
l.OE-4

-2,liquid
'AI,W 15000

Table I - Invariant Reactions.

Reaction Type Compositions xw /

AI,W ^ AI7W3 + bcc-,42 Eutectoid .333 .300 .847 1602.6


Liquid + A12W r AI 7 W 3 Peritectic .190 .333 .300 1706.8
Liquid + bcc-.42 v=* AI2W Peritectic .243 .901 .333 1925.7
Liquid + A17W3 ^ AI 77 W 23 Peritectic .172 .300 .230 1648.2
Liquid + A177VV23 ^ AL,W Peritectic .125 .230 .200 1604.1
AI 77 W,3 ^ ALW + bec-Al Eutectoid .023 .200 .840 1571.0
AI77W,3 + bcc-,42 ^ AI 7 W 3 Eutectoid .230 .841 .300 1580.0
Liquid + ALW AI5W Peritectic .0025 .200 .167 1149.6
Liquid + AI5W ^ AI,,W Peritectic .0003 .167 .077 969.4
Liquid + AI, 2 W ? lcc-,4 Peritectic .0002 .077 .0003 933.6
A1W3 =* Liquid Congruent .273 .273 1850.5
108 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space G r o u p lattices

Al-W (Al) Cu cF4_ M 4


FmZm

(W) W cI2 M 2
ImZm

A1,,W AI,,W cI26 Al 24


ImZ W 2

A1 5 W AlsW hP12
Pfk

AL,W ALW mC30 Al, 2


Cm 2 2
W, 2
Ala 4
AL 4
Als 4
Al 6 4
Al 7 4
W2 4

A1 2 W not quoted in [Masi]


nor in [Vill]

A1 7 W 3 not quoted in [Masi]


nor in [Vill]

AI77W,3 not quoted in [Masi]


nor in [Vill]
System Al Zn 109

System AlZn

Solution Phases:
(stable) Liquid, fcc-,41, hcp-Zn
(metastable) hcp-,43

Compounds:
AlOu-r/, Laves-Cl4
(melasi able)

Modelling:
Substitutional, Redlich-Kister
Liquid Substitutional, Redlich-Kister
fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
hcp-Zn Stoichiometric, (Al)(7,n)
AlCu-r, Sublattice model, (Al,Zn) 2 (Al,7,n)
Laves- CI 4
Assessor and Date:
S. an Mey (1991)
Publication:
Z. fr Metallkde, 84, 7, 451-455 (1993).

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase fcc-,41

O.frx- A 1
'., 7297.48 + 0,17512
r 1 .irr-,11
' , :Q 6612.88 -4.59110
r2.frr-Al _
''Al.ZnrO 3097.19 + 3.30635
Thermochemical Dafaoase for Light Metal Alloys

Phase hcp-,43

rO.hrp-A.T
',7,:0 = 18820.95 --8.95255

r 1,hep-A3
',: = l.OE-6
r2.hrp-.43
', = l.OE 6
,3,hcp-A3
', - 702.79

Phase hcp-Zn

r O.hrp7n
''AI.Zn:0 = 18820.95 -- 8.95255
r 1 ,hrpZn
', = 1.0F-6
r2,hrp-Zn
'. = l.OE-6
3,hepZn
''. - 702.79

Phase AlCu-r;

C(T) - ffccc~A t (298.15K) /7nhcpZn(298.15 ) =


15000.0 + GHSERc, + GHSERZn

Phase LavesCl4

<7(T) 3.0 ff^*1 (298.15K) = G(A1:A1) =


15000.0 + 3.0 GHSERc
G"(T) - 2.0 H0C^C-M (298.15K) - /7Znhcpz"(298.15 K) = G(ALZn)
15000.0 + 2.0 GHSERc + GHSERz
V(T) ffcicc~M(298.15K) 2.0 //^ hcp Zn (298.15 K) = C(Zn:Al)
15000.0 + GHSERc + 2.0 GHSERZ
G(T) - 3.0 //^ hcp_Zn (298.15 K) = G(Zn:Zn) =
15000.0 + 3.0 GIISERzn
F O,LavesCl 4 rO,LavesCl4 7\ 1
L
'1:.: - Zn:AI.7,n:D ~ " 'tl(JtJ - ' O l

Phase liquid

Ai'.znid = 10465.553.39259
System Al Zn 111

1000 J I I I I I I I L

Al ^Zn Zn
Table I - Invariant Reactions.

Reaction Type Compositions i z n /

Liquid ^ fcc-,41 + hcp-,43 Eutectic .884 .673 .969 654.0


fcc-,41' ^ fcc-Al" + hcp-,43 Monotectic .590 .141 .984 550.4

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Croup

Al Zn (Al) Cu cF4
FmZm

(Zn) Mg hP2
63/mm c
112 Thermochemical Database for Light Metal A lloys

System AlZr

Solution Phases:
Liquid, bcc,42, fcc,41, hcp,43
Compounds:
Al2Zr,Al2Zr3, Al3Zr, Al3Zr2, Al3Zr5,
Al4Zr5, AlZr, AlZr2, AlZr3
Modelling:

Liquid Substitutional, RedlichKister


bcc/12 Substitutional, RedlichKister
fcc-Al Substitutional, RedlichKister
hcp.43 Subst itutional, RedlichKister
Al 2 Zr Stoichiometric, (Al)2(Zr)
Al 2 Zr 3 Stoichiometric, (Al) 2 (Zr) 3
Al 3 Zr Stoichiometric, (Al) 3 (Zr)
137,2 Stoichiometric, (Al) 3 (Zr) 2
Al 3 Zr 5 Stoichiometric, (Al) 3 (Zr) 5
Al.Zrr, Stoichiometric, (Al) 4 (Zr)s
Al Zr Stoichiometric, (Al)(7,r)
1 2 Stoichiometric, (Al)(Zr)2
AlZr 3 Stoichiometric, (Al)(Zr) 3

Assessor a n d D a t e :
N. Saunders (1991)

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase Al2Zr

GT-2.0 IlMhc-M (298.15 K) //^hcp_/43(298.15 K) =


137430.0 + 25.44 + 2.0 GHSERAI + GHSERZr

Phase Al2Zr3

CT 2.0 HA CC-A l (298.15 ) 3.0 Ilcp-A 3(298.15 ) =


192135.0 + 33.0 + 2.0 GHSER + 3.0 GHSERzr
System A l Zr 113

Phase Al 3 Zr

GT - 3.0 H0A icc-M (298.15 K) H^cp~A 3(298.15 K) =

162500.0 + 28.92 + 3.0 G H S E R A I + GIISER Zr

Phase Al 3 Zr 2

<7T3.0 ffA cc-M (298.15 ) 2.0 iq*cp-A 3(298A 5 ) =

234700.0 + 44.1 + 3.0 G H S E R A I + 2.0 GHSER 7 , r

Phase Al 3 Zr 5

CT - 3.0 nMtcc-A
(298.15 ) 5.0 /T^ hcp ' 43 (298.15 ) =

217488.0 + 48.72 + 3.0 G I I S E R A , + 5.0 GHSERzr

Phase Al 4 Zr 5

CT - 4.0 HA CC-A i(298.15 ) 5.0 H^cp~A 3


(298.15 ) =

369000.0 + 62.55 + 4.0 G H S E R A I + 5.0 GHSER/,

P h a s e AlZr

CT - IIA CC-A 1
(298.15 ) H^cp-A 3(298.15 ) =

89000.0 + 17.0384 + GHSER , + GTlSER Zr

Phase AlZr 2

CT - If0A cc-A l
(298.15 ) 2.0 ^~3 (298.15 ) =

100125.0 + 17.553 + G H S E R A I + 2.0 GHSER Z r


Phase bcc,42
Phase AlZr 3
rO,bcc-A2
'AI.ZriQ
CT - IMCC~M (298.15 ) 3.0 // Z r h c p _ / , 3 (298.15 ) =
/''izrra'42 = i 108000.0
iooo + 22.38 + G H S E R A I + 3.0 GIISER Zr

/AKZr^ 2 = 15000
111 Thermochemical Database for Light Metal Alloys

Phase feeAl
r 0.rcc-.4l
". - 120000 + 30
I I .fee-AI
'". -10000
r2.fec-AI
', 15000

Phase hepA3
rO,hrp-A3
', - 122300 + 32
r 1,hep-A3
', -8000
r2.hrp-A3
''Al.ZnO 17000
Phase liquid
r 0,liquid
l'Ai 7r 125000 + 35
r 1,liquid
'.
10000 + 5.57
2,liquid
I.Al.Zr 15750

Al X7, - * Zr
System A l- Zr 115

Table I Invariant Reactions.

Reaction Type Compositions *Zr /

Liquid ^ fcc,41 + AI3Zr Peritectic .0002 .0008 .250 933.8


,AI3Zr ^ Liquid Congruent .250 .250 1893.0
Liquid ^ AI3Zr + ALZr Eutectic .277 .250 .333 1888.0
AloZr v^ Liquid Congruent .333 .333 1907.0
Liquid + Al^Zr 5^ 32 Peritectic .410 .333 .400 1869.1
Liquid F^ AI3Zr2 + ALZrs Eutectic .525 .400 .556 1765.3
1W4TS r* Liquid Congruent .555 .555 1773.0
Liquid + Al.(Zrs ^ 23 Peritectic .653 .556 .600 1701.8
Liquid + Al2Zr.3 Al3Zr5 Peritectic .696 .600 .625 1655.8
Liquid ^ AI3Zr.i + bcc,42 Eutectic .702 .625 .768 1648.7
AI,Zr3 + bcc>12 AlZr2 Peritectoid .600 .801 .666 1524.2
.\l3Zr5 ^ ALZr 3 + AIZr2 Eutectoid .625 .600 .666 1241.7
2 + bcc,42 ^ AlZr3 Peritectoid .667 .877 .750 1252.3
AlZr3 + bcc,42 # hcp,43 Peritectoid .750 .894 .879 1212.2
Al3Zr2 + ALZr 5 ^ AlZr Peritectoid .400 .556 .500 1529.5

Table II:a Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Croup lattices

AlZr (Al) Cu cF4 M 4


FmZm

(Zr) Mg hP2 M 2
P&s/mmc

(Zr) W cI2 M 4
ImZ m

AlZr ner 0C8 Al 4


Cmcm Zr 4

InN2 hP6 Al 2
POa/mmc Zr, 2
Zr2 4
116 Thermochemical Database for Light Metal A lloys

Table II:b Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlZr3 AuCu3 cP4 Al 1


PmZm Zr 3

Al2Zr MgZn2 hP12


Ps/mmc

Al2Zr3 AI2Zr3 IP20 Al 8


P4i/mnm Zr, 4
Zrj 4
Zr3 4

Al3Zr Alar 1116 Al, 4


14/mmm AI2 4
Al3 4
Zr 4

Al3Zr2 AI3Zr2 oF40 Al, 8


Fdd2 Alj 16
Al3 16

Al3Zr4 3 4 hP7 Al 3
Zr, 1
Zr2 1
Zr3 2

AI3Zrr, Mn5Si3 hP16 Al 6 not in Masi


Ps/mem Zr, 4
Zr2 6

Al3Zr5 Si 3 W 5 1132 Al, 4


14/mcm Al, 8
Zr, 4
Zr, 16

AIZr5 Ca^Tis hP18 Al, 2 not in Masi


Ps/mcm AI2 6
Zr, 4
Zr2 6
System l-C 117

System B-C

Solution Phases:
Liquid, graphite, /J-rhombo-B, R 4 C
Modelling:

Liquid Substitutional, Redlich-Kister


graphile Substitutional, Redlich-Kister
rhomho-B Sublattice model (B) 93 (B,C)i2
n.,c Sublattice model ( , , , ^ ^ , )

Assessor and Date:


. Kasper, ILL. Lukas, (1992).
Publication:
. Kasper, Thesis, Univ. Stuttgart (Germany).

5000

4500-

4000-

T T T T T T "
0.0 0.1 02 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Xc -" c
118 Thermochemical Database for Light Metal A lloys

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase B<C

C(T) - 13.0 //B^rhomboB(298.15 K) //c,er"phile(298.15 K) = G(B,,:B2) =


170978.12 + 22.909095 + 16.0 GHSRRB + GHSF,RC
C(T) - 14.0 //rhomboB(298.15 K) = = G(BI2:B2) =
10000 + 22.909095 T + 14.0 GHSERB
C(T) 12.0 ^ r h o m b B ( 2 9 8 . 1 5 K) 3.0 //'grephit'(298.15 K) = CfB^GjB)
347121.82 + 22.909095 T + 12.0 GHSF.Rn + 3.0 GHSERc
C(T) 13.0 //,""rhombo"B(298.15 K) 2.0 //c'gr,lphile(298.15 K) = G(B,2:G2B)
294040.52 + 22.909095 T + 13.0 GHSERB + 2.0 GHSERc
C(T) - 13.0 //B rhombo B (298.15 K) 2.0 HZ*npW'tc(298.15 K) = G(B,,:GB2)
304040.52 + 22.909095 T + 13.0 GHSERB + 2.0 GHSERc
C(T) - 14.0 //B'"rhomboB(298.15 K) ffcVgr*phite(298.15 K) = CB^CB,) =
169978.12 + 22.909095 T + 14.0 GHSERB + GHSERc
CCCB,2:BJ = 10E4

Phase /9rhomboB

C(T) - 105.0 /7Bs"rhomboB(298.15 K) = G(B:B) =


105 GIISERB
C(T) 93.0 #B'/? rhomboB(298.15 K) 12.0 //c'graphite(298.15 K) = G(B:C) =
1000000 + 93.0 GHSERB + 12.0 GHSERc
/, B f B 7 bombo B = 2769690.3

Phase graphite
yo.gr.phu* = 34385 9 5 + 8 6792 T

Phase liquid

lil?"iH = 67045.16 + 4.46969 T

/r.HJc'"iH = 36682.57 + 2.44551 T


System BC 119

Table I - Invariant Reactions.

Reaction Type Compositions xc T/K

Liquid ^ B4C + graphite Eutectic .292 .195 .977 2663.4


Liquid + B 4 C ^ /J-rhombo-B Peritectic .0056 .099 .010 2375.9
H4C # Liquid Congruent .184 .184 2725.3

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

B-C (B) /-rhombo-B

(C) graphite

BC B4C hR15 B, 3 B13C2 in


RZm B2 18 [91VI]
B3 18
C 6
120 Thermochemical Database for Light Metal Alloys

System B-Hf

Solution P h a s e s :
Liquid, bcc-,42, hcp-,43
Compounds:
(stable) BHf, B2Hf
(metastable) BJIf 3

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
nur Stoichiometric, (B)(Hf)
B2Hf Stoichiometric, ()2()
B,Hf3 Stoichiometric, (B).,(Hf)3

Assessor a n d D a t e :
II. Bitterman, Univ. Vienna, Austria

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase BHf

G(T) - H B ' fl - rhombo - B (298.15K) - ]]$cp-A3(298.15K) =


-159810 + 4.98602 + G I I S E R B + GII.SE RHr

P h a s e B,Hf 3

G ( T ) - 4 . 0 H B ^" r h o m b o _ B (298.15K)-3.0 HHVhcp_/,3(298.15K) =


- 535000 - 14.5754 + 4.0 GHSE R B + 3.0 GHSE R, lf
P h a s e B^Hf

G(T) - 2.0 H B '"- rhombo - B (298.15K) - U^cp~A3 (298.15K) =


- 3 5 1 4 4 5 + 4 6 9 . 1 4 6 - 73.868 InT - 0.0036789 2
+ 1517800 T~x - 5.2+09" 3
System l-llf 121

Phase bcc-A2

G(T) - 3.0 HB'-rbom,m-B(298.15K) - HH'hcp"'43(298.15K) =


- 137926 + 3.0 GIISERB + GHSER,,r
r 0,ber.42
', = l-OE-4

Phase hcp-,43
0,0rhombo
G(T)-0.5 HB (298.15K) - H^ncp_/,J(298.15K) =
- 44765.7 + 0.5 GHSERB + GHSERf
O.hrp-,1.1
,-.1 , .
l'Hf:H = 1-0-4

Phase liquid

L'l,7fuiH = -170625-4.85541

L'1;?;"'1 = -39128
2.1iqiiirl
I,H.ur 16331.1
122 Thermochemical Database for Light Metal A lloys

Table I Invariant Reactions.

Reaction Type Compositions zur K

Liquid ? /? rhomboB + B2Hf Eutectic .010 .000 .333 2337.9


Liquid + B2Hf + BHf Peritectic .780 .333 .500 2377.1
Liquid F* BHf + bec-A l Eutectic .850 .500 .990 2153.6
bcc,42 + BHf ^ hcp,43 Peritectic .993 .500 .985 2063.8
BoIIf ^ Liquid Congruent .333 .333 3650.0

Table II C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

BHf (B) /?rhomboB

(Hf) Mg hP2 M 2
P&i/mme

(Hf) W c2 M 2
ImZm

BHf BFe 0P8 4


Pnma Hf 4

B2Hf AIB2 hP3 2


P6/mmm Hf 1

B4Hf3 B<Ta3 oil 4 (metastable)


Immm
System l N 123

System B N

Solution P h a s e s :
Liquid, gas
Compound:
BN
Modelling:

Liquid Substitutional, RedlichKister


gas ideal (B,B 2 ,N,N2,N 3 ,BN)
BN Stoichiometric (B)(N)

Assessor a n d D a t e :
II. Wen, and ILL. Lukas 1992

1 I 1 1 I I I I

gas _
400CH '-

i 3500^ Liquid + gas \ '-


'.
dj 3000 -

3
% 2 5 0 0 ^ _ Liquid
emper
8
o
ro


1 5 0 0 /?rhomboB m gas

1000^

1 1 I I I I I
0.0 0.1 0.2 0.3 0.4 0.5 . 0.7 0.8 0.9 1.0

^
124 Thermochemical Database for Light Metal Alloys

T h e r m o d y n a m i c p r o p e r t i e s of t h e s o l u t i o n a n d c o m p o u n d p h a s e s ( J . m o l " 1 )

Phase BN

C(T) - //' B ' / '- r h o m b o - B (298.15 K) - //Of"3(298.15 K) =


- 250600 + 91.281942 + GHSER B +CIISER N

P h a s e liquid

^H!N" !H = 30000.0 - 4.0

Phase gas(B,B2,N,N2,N3,BN) (P = O.lMPa)

C,H*M(T) - //."-' h m , "- B = fir in +


298.15 <T< 700.00 : 564913.402-13.9693124
+ 1.6646044E-05 2 - 20.80858 InT
700.00 <T< 2800.00 : 564920.973-14.1156663 - 2 0 . 7 8 6 1 1 2
2800.00 << 4075.00 : 565086.023-15.0515115 - 20.6682069
-2.10566-05 2
C,"(T) - 2.0 tf^-*"1-1 = R +
298.15 < < 550.00 : 824867.604-125.766398 - 8.168 -
- 0.0430888612 2 + 1.00098016-05 3
- 136465.972 '1
550.00 < < 2150.00 : 809306.765 + 132.643168 - 48.851589 -
+ 0.00423205742 2 - 3.22751598-07 3
+ 980387.558 " 1
2150.00 < < 6000.00 : 826793.716 + 32.6504991 - 35.6295549
- 4.58209505-04 2 + 1.70149264-10 3
-3665441.32 ~'
G-g""(T) - 2.0 11^(298.15 ) = R +
298.15 << 2950.00 : 466446.153+2788.78662 " 1 - 13.2660528
- 20.8939295 - + 8.4552092-05 2
- 1.00186856-08 3
2950.00 << 6000.00 : 481259.023-7559107.28 " 1 - 52.4348889
- 16.3761342 - 2.28373808-04 2
- 2.78997209-08 3
C'sf(T) - 2.0 //"3;^(298.15 ) = 2.0 GHSER N + R
System - 125

Csf(T) 3.0 /7 0 0 f(298.1 ) = R +


298.15 < < 800.00 : 403075.636 14.3245228 29.5595416
0.02413122 2 + 3.615603606 3
+ 55714.144 " 1
800.00 < < 2000.00 : 388937.207 + 158.809275 55.404528 -
0.0026570492 2 + 1.936564407 3
+ 1536448.48 " 1
2000.00 < < 6000.00 : 380898.006 + 210.207464 62.295576
+ 6.572645606 2 7.86801210 3
+ 3336949.2 " 1
, rhombo /
/Y B ' y rnomBO " H (298.15 ) ^"'(298.15 ) = R +
Garn

298.15 < < 1000.00 469920.773 57.4937871 22.339422
0.0105569014 2 + 1.4148823606 3
69873.2184 " 1
1000.00 << 3500.00 462619.822 + 28.1899597 35.0100802
7.9985109604 2 + 1.1026792508 3
+ 719942.972 " 1
3500.00 < < 6000.00 449529.29 + 65.7741362 39.4662191
1.9581433804 2 9.1438530710 3
+ 7491452 " 1

Table Invariant Reactions.

Reaction Type Compositions XN

Liquid + gas ^ BN Peritecticlike .000 1.000 .500 2670.0


Liquid ^ BN f gas Degenerate .000 .000 .500 2670.0

Table II C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Comments


Space Group

BN /3rhomboB /rhomboB hRW8 hR105 in [91 Vil]


RZm

BN hP4
P6^mc
126 Thermochemical Database for Light Metal A lloys

System BSi

Solution P h a s e s :
Liquid, diamond, /3rhomboB, BSi, B 3 Si, BSi
Modelling:

Liquid Substitutional, RedlichKister


diamond Substitutional, RedlichKister
rhomboB Sublattice model (B)g 3 (B,Si)i2
BSi Sublattice model (B) 6 l (Si)(B,Si) 8
B:iSi Sublattice model (B) e (Si) 2 (B,Si) e
BeSi Sublattice model (B)2io(Si)23(B,Si),,8

A s s e s s o r and D a t e :
S. Pries, and H.L. Lukas,
Publication:
"Cost507 New Light Alloys", Leuven Proceedings,
Ed. G. Effenberg (1991)

S
System fi Si 127

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase B 3 Si

C(T) 12.0 //^" r , , " m b o " B (298.15 K) 2.0 // s ; diamond (298.15 K) = G(B:Si:B) =
112000 + 12.0 G I I S E R B + 2.0 GHSER s i
C(T) - 6.0 //'H' /5 rhombo B (298.15 K) 8.0 /7s'di,lmnd(298.15 K) = G(B:Si:Si) =
112000 + 6.0 G I I S E R B + 8.0^ GHSF.RS
'H:Si:H,si = " 2400475 + 240.0475

Phase BSi

C(T) - 25S.0 //' /3_r, '" n ' ho " B (208.15 ) 23.0 //; HiamonH (298.15 ) =
G(B:Si:B) = 729824.4 72.98244 + 258.0 GHSER B + 23.0 GIISER s i
C(T) 210.0 //B' r h " m b o B (298.15 K) 71.0 /7' di " mnnd (298.15 K) =
G(B:Si:Si) = 5451560545.456 + 210.0 GHSER B + 71.0 GIISERsi
f.H:s:H.s = 15715630 + 1571.563
Phase BSi

G"() - 69.0 / / ^ r h o m b B ( 2 9 8 . 1 5 ) //|; d i a m o n d (298.15 ) = G(B:Si:B) =


89819.86 + 8.981986 + 69.0 GHSER B + GIISERsi
G"() - 61.0 //' ?/ " rhnm, '" R (298.15 ) 9.0 //'s0dl"nnnd(298.15 ) = G(B:Si:Si) =
176659.7 + 17.66597 + 61.0 GHSER B + 9.0 GHSER s i
/.':^. = -281573.6 + 28.15736

Phase / ? - r h o m b o - B

C(T) - 93.0 //- fl - rhombo - B (298.15 K) - 12.0 /7s;diamond(298.15 K) = G(B:S


-6160.215 + 0.6160245 T + 93.0 G I I S E R R + 12.0 GHSER s i
o.^rhn,,,,,-B = _ 725614.0 + 72.5614 T

Phase diamond
t Cl,diamond C-70TO i c
'H.sr.a = 579/8.16

Phase liquid

,., = 17631.92 - 1.76321 T

x uicpnH _ _ 3 5 2 6 og + 0.3527 T
128 Thermochemical Database for Light Metal A lloys

Table I Invariant Reactions.

Reaction Type Compositions is T/K

BsSi + diamond ? B3Si Peritectoid .145 .993 .262 1543.0


Liquid ^ BeSi + diamond Eutectic .919 .146 .989 1657.6
Liquid + BSi 5=* B6Si Peritectic .379 .059 .138 2123.0
Liquid + /?rhomboB # BSi Peritectic .074 .021 .033 2310.0

Table II C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

BSi (B) /3rhomboB

(Si) diamond cF8 M 8


FdZm

BSi HR12
PZm

B3Si B<C hR15 18 hR14 in


RZm M 18 [91VI]
Si, 6
S 2 3

B6Si B6Si oP280 0P34O in


Pnnm [VI91]
System fi Ti 129

System B T i

Solution P h a s e s :
Liquid, bcc,42, hcp,43
Compounds:
BTi, B 4 Ti 3 , B 2 Ti
Modelling:

Liquid Substitutional, RedlichKister


bcc-,42 Substitutional, RedlichKister
hcp-,43 Substitutional, RedlichKister
BTi Stoichiometric, (B)(Ti)
B,Ti 3 Stoichiometric, (B) 4 (Ti) 3
l Ti Stoichiometric, (B)2(Ti)

Assessor a n d D a t e :
C. Btzner, June 1994
Publication:
Thesis, Univ. Stuttgart, Germany (1994)

T h e r m o d y n a m i c p r o p e r t i e s of t h e s o l u t i o n and c o m p o u n d p h a s e s ( J . m o l ')

P h a s e BTi

(7(T) /7 B ' i? ~ rhomb B (298.15K) Iltfcp-A 3(298.15K) =


166196.8 + 3.2968 + GIISER B + GHSER Ti

Phase B4Ti3

(7(T) 4.0 //H ,/5 " rhomb "~ B (298.15K) 3.0 H^cp~A 3(298A 5K) =
660745.8 + 4.3472923 + 2.162216 InT
+ 4.0 G I I S E R B + 3.0 GIISER T i

P h a s e B 2 Ti
rhom, , B
C(T) - 2.0 // B '" " (298.15K) //T hrp ' 43 (298.15K) =
318253.47 2.5557 + 0.799221 InT
+ 0.002813367 2 + 2.0 GIISER B + GIISER Ti
130 Thermochemical Database for Light Metal A lloys

I 1 1 l i l i l
4000

Liquid
3600

3000

d)
2600

*->
CD
^^^bccyl 2
O 2000 /?rhomboB

. M

E
m
,> 1600 CD m

1000
hcp-A 3 _
600 1 1 1 I l l l l
0.0 0.1 0.2 0.3 0.4 0.5 . 0.7 0.8 0.9 1.0

Ti

Phase becA2

C(T) 3.0 //Brhom,,"B(298.15K) //Thcp_/,3(298.15K) =


200000 + 14.0 + 3.0 G I I S E R B + GHSERT
/.(ih/12 = 260162.96 + 156.48207

Phase hcp,43
,rhombrt
G'() - 0.5 (298.15) /rrincp>,J(298.15K) =

50000 + 15.0 + 0.5 GHSERB + GHSER


, O.lirp,1.3
'-|i:H.D 21213.142

Phase liquid

r 0.liquid
'H.Ti 265414.4 + 15.543418

r 1l.liqi
.liquid
'H,T
134303.03 + 17.709482
r 2.liquid
'. 61691.479

*,', = 52656.13
System Ti 131

Table I Invariant Reactions.

Reaction Type Com positions Xf

Liquid 5^ /? rhomboB + B 2 Ti Eutectic .019 .000 ,333 2332.5


Liquid + B? Ti ^ B.,Ti3 Peritectic .578 .333 ,428 2474.0
Liquid + B 4 Ti 3 ? i BTi Peritectic .627 .428 .500 2456.0
Liquid v^ BTi + bcc,42 Eutectic .931 .500 .997 1814.1
bcc,42 ;= BTi + hcp,43 Transformation .998 .500 1.000 1156.1
B2Ti ^ Liquid Congruent .333 .333 3490.0

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub


Space Croup lattices

BTi (B) /rhomboB

(Ti) Mg hP2 M 2
Pb^/mmc

(Ti) W cI2 M 2
ImZm

BTi Fe 0P8 4
Pnma Ti 4

B2Ti 2 hP3 2
P6/mmm Ti 1

BTi3 B 4 Ta 3 0II4
Immm
132 Thermochemical Database for Light Metal A lloys

System CSi

Solution Phases:
Liquid, diamond
Compounds:
SiC, Si 4 C 3 (metastable)
Modelling:

Liquid Substitutional, RedlichKister


diamomi Substitutional, RedlichKister
SiC Stoichiometric, (Si)(C)
Si,C 3 Stoichiometric, (Si) 4 (C) 3

Assessor and D a t e :
J. Grbner, II. L. Lukas, and F. Aldinger.
Publication:
Calphad 20, 2 (1996) 247254.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

P h a s e SiC

C(T) - /7' gniphite (298.15 K) Hs damond (298.15 K) =


88583.96 + 27L1462 41.27945
0.00436266 2 + 207 3 + 800000 " 1

Phase A1 4 C 3 (metastable)

C(T) - 3.0 /7 graphUe (298.15 ) 4.0 //|; d i a m o n d (298.15 ) =


135043.86 + 949.01177 144.478096
0.01527 2 + 707 3 + 2800000 " 1

Phase liquid

":^'"" = 25644.976.381115

Phase diamond
U.rliamnnrl
'C.Si 93386.78
System C S i 133

graphite

1000- diamond *

500 I I I I I I I I I
0.0 0.1 0.2 0.3 0.4 0.6 0.6 0.7 0.8 0.9 1.0

Si

Table I - Invariant Reactions.

Reaction Type Compositions iji /

Liquid ^ diamond + SiC Degenerate 1.000 1.000 .500 1687.0


Liquid + graphite ^ SiC Peritectic .826 .000 .500 3096.1

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Croup lattices

C-Si (C) graphite

(Si) diamond cF8 M 8


FdZm

SiC-/? ZnS (sphalerite) cF8 C 4


F43m Si 4
131 Thermochemical Database for Light Metal A lloys

System CTi

Solution Phases:
Liquid, bcc,42, fcc-A l, hcp,43
Modellin Si

Liquid Substitutional, RedlichKister


bcc,42 Sublattice, (Ti)(C,D)
fcc,41 Sublattice, (Ti)(C,D)
hcp,43 Sublattice, (Ti)(C,G)

Assessor and Date:


S. .Jonsson
Publication:
Thesis, Royal Institute of Technology, Stockholm,
Sweden (1993)

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

P h a s e fcc,41
graphite
C(T) - // (298.15 K) // Ti hrp >13 (298.15 K) = G(Ti:C) =
207709.0 + 307.438 48.0195 InT 0.00272 2
- 2.03E+09 3 + 819000 1
OS rc.-Al
''TWO 8 5 1 1 5 + 6.756

1. f r e Al
'TWO 129429 + 31.79 T

Phase bcc,42
G"(T) - 3.0 /7 c g r a p h i t e (298.15 K) Hr^cp~A 3 (298.15 K) = G(Ti:C)
2295533 + GIlSER T c + 2.0 GHSERc
\S^M = 2590609

P h a s e hep ,43
gn,phUe
G'() - 0.5 flc (298.15 ) Iltfcp-A 3(298.15 ) = G(Ti:C)
1432 4.1241 + 0.5 GHSER T c + 0.5 GHSERc

P h a s e liquid

Lo,iiqid = _ 214678 - 14.314


System C-Ti 135

5000- I I I I I I I I L

0.0 0.1 0.2 0.3 0.4 0.5


r-^
0.6
1
0.7
1
08
r
0.9 1.0

C x T i -> Ti
Table I - Invariant Reactions.

Reaction Type Compositions r /

Liquid ^ fee-,4 + bcc-,42 Eutectic .968 .687 .974 1925.2


fcc-Ai' + bcc-.42 F hcp-/13 Peritectoid .655 .996 .984 1190.0
Liquid 5^ graphite + fcc-,41 Eutectic .349 .000 .515 3044.0
fcc-,41 F^ Liquid Congruent .554 .554 3338.0

fcc-/11 T i r C i _ r

Table II:a - Crystal Structure and Phase Description.

System Phase Structural Pearson Symbol Sub- Commen s


Type Space Group lattices

C-Ti (C) graphite

(Ti) Mg h PI M 2
Ps/mmc

(Ti) W 11 M 2
hnZm
136 Thermochemical Database for Light Metal Alloys

Table II:b - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Structural Pearson Symbol Sub- Comments


Type Space Group lattices

CTi CINa cF8 Mi 4


FmZm M-> 4

CTij Ca M Ge cF4S C 16 CaaaGe in [91 Vil]


FdZm Ti 32 ord. TiCi_r phase
not considered
System Ce-Mg 137

System C e M g

Solution Phases:
Liquid, bcc,42, fcc-A l, hcp,43
Compounds:
CeMg, CeMg2, CeMga, Ce 5 Mg 4 i, Ce 2 Mg 17 , CeMg, 2
Modellin S

Liquid Substitutional, RedlichKister


IVc,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
CeMg Stoichiometric (Ce)(Mg)
CcMg 2 Stoichiometric (Ce)(Mg) 2
CeMg3 Stoichiometric (Ce)(Mg) 3
Ce s Mg 41 Stoichiometric (Ce) 5 (Mg) 41
Ce 2 Mg,7 Stoichiometric (Ce) 2 (Mg) I7
CeMg 12 Stoichiometric (Ce)(Mg), 2

Assessor and ] Date:


G. Gacciamani, A. Saccone, and R. Ferro,
Calphad XXII Salou, Spain (1993).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase C e 2 M g i 7

C(T) 2.0 Hc'cc~A i(298.15 K) 17.0 ^-3(298.15 ) =


217170.0 + 104.5 + 2.0 G H S E R c + 17.0 GTISERMg

Phase C e s Mg 4 1

C(T) - 5.0 Hc<cc-M (298.15 K) 41.0 H^*3(298.15 K) =

575000.0 + 299.0 + 5.0 GHSERc + 41.0 GHSER Mg

Phase C e M g

C(T) - II^c-A i
(298.15 K) II^P'A 3 (298.15 K) =
46000.0 + 23.32 + G H S E R c + GHSER Mg
138 Thermochemical Database for Light. Metal A lloys

Phase CeMgi 2

C(T) - ll^-A i
(298.15 K) 12.0 //^hcp_'43(298.15 K) =
139880.0 + 84.5 + GHSERc + 12.0 GHSERMg

Phase CeMg 2

C(T) - Ifc'cc-A i(298.15 K) 2.0 If f"'*3 (298.15 K) =

52744.6 + 15.163 7' + GHSERc + 2.0 GHSERMg

Phase CeMg3

C(T) - tf&fec~'41 (298.15 K) 3.0 Il^cp-A 3(298.15 K) =


76800.0 + 26.5 + GHSERc + 3.0 GIISERMg
Phase bccA 2

r<*M* = 2 7 0 n n + 3.3 T

^c>.Mg:D2 = 25338.56 11.86885

C i " = 15106.9

Phase feeA l

1500
f'cjulo = + 5 T

Phase hcp,43

/,?:Xf = 94337.51 + 79.95155

Phase Liquid

f'C*Mf = 39381.19 + 16.34052

^(>.MgH = 25338.56 11.86885

. = 15106.9
System Ce-Mg 139

Ce ^Mg Mg

950 _i I I I L _ i I I I I I

940

930 Liquid + CeMg,

920

2 910-

900
Ce,Mg,7
Q_ 890
E CeMgj+CejMg 4,
Q 880-
r-
870-
860-

B50 | | r | | r
0.8 0.82 084 086 0.88 0.9 0.92 0.94 0.96 0.98 1.0

Ce k
Mg
140 Thermochemical Database for Light Metal A lloys

Table I Invariant Reactions.

Reaction Type Compositions x


Mg

Liquid ^ bcc,42 + CeMg Eutectic .328 .288 .500 955.1


Liquid 5^ CeMg + CeMg2 Eutectic .528 .500 .667 982.9
Liquid + CeMg3 ^ CeMg2 Peritectic .620 .750 .667 1020.1
Liquid + CeMg3 ^ Ce5Mg4i Peritectic .904 .750 .891 898.1
Liquid + CeiMg^i ? Ce2Mgi7 Peritectic .923 .891 .895 889.6
Liquid + Ce 2 Mgi7 ^ CeMg| 2 Peritectic .930 .895 .923 884.7
Liquid ? * CcMg| 2 + hcp,43 Eutectic .960 .923 1.000 867.9
(> 2 Mgi7 * Ce 5 Mg 41 + CeMgn Eutectoid .895 .891 .923 882.0
CcMg2 f i CeMg + CeMg3 Eutectoid .667 .500 .750 888.0
bcc,42 ^ fcc-A 1 + CeMg Eutectoid .114 .072 .500 768.7
CeMg ^ Liquid Congruent .500 .500 983.8
CeMg3 ^ Liquid Congruent .750 .750 1073.0

Table II C rystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

CeMg (Ce) Cu cF4


FmZm

(Ce) W eI2
ImZm

(Mg) Mg hP2
Pfts/mmc

CeMg CsCI cP2 Ce 1


PmZm Mg 1

CeMgj Cu 2 Mg cF24 Ce 8
FdZm Mg Hi

CeMg3 BiF 3 cF16 Ce 4


FmZm Mgi 1
Mg2 8

Ce5Mg4i Ce 5 Mg 41 tI92 10 sublattices


!4/m [91VI]

CcMgi03 Th 2 Ni 1 7 hP38 6 sublattices


P&i/mmc [91VI] Ce,Mg,7

CeMg I2 (I) ThMg 12 1126 ThMni 2 in


14/mmm [91VI]

OMg, 2 (H) CeMg, 2 (II) O338 not consirlered


(Immm)
System Cr-Cu 141

System CrCu

Solution Phases:
(stable) Liquid, bcc,42, fcc-A l
(metasi able) hcp.43

Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcp/l3 Substitutional, RedlichKister

Assessor and D a t e :

K. Zeng and M. Hmlinen

T h e r m o d y n a m i c properties of t h e solution phases ( J . m o l 1 )

Phase bcc,42

r0,t><-r-/t2
''Cr,Cu:0 = 200000

P h a s e feeAl

rO,{ec-A\
'Tr.Ciy.a 88112 30.38315

Phase hcp,43
, n.hrp,13
'Cr.CuiO 60000

Phase liquid

r 0,liquid
'Cr.Cii 35495.913 2 . 9 5 8

1 .lirpiifl
'Cr.Cii 1001.1765

, 2,l.|ui.l
'Cr.Cii 5704.648
112 Thermochemical Datahase for Light Metal Alloys

2500-I 1 1 ' " 1 ' 1 1 1-

fcc-,41

750-

500 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cr *>Cu Cu

Table I - Invariant Reactions.

Reaction Type Compositions icu T/K

Liquid ? bec-Al + fcc-,41 Eutectic .982 .000 .992 1347.9

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Cr-Cu (Cr) W cI2


ImZm

(Cu) Cu cF4
FmZm
System Cr-Mg 143

System CrMg

Solution Phases:
(stable) Liquid, bccA2, hcpA3
(metastable) cbccA12, fcc,41, hcpZn

Modelling:

Liquid Substitutional, RedlichKister


bcc-A2 Substitutional, RedlichKister
cbcc-A12 Substitutional, RedlichKister
Icc-AI Substitutional, RedlichKister
hcp-A3 Substitutional, RedlichKister
licp-Zn Substitutional, RedlichKister

Assessor and D a t e :
I. Ansara, 1991

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase becA2

/"' = 80
P h a s e cbcc,412

,0.rl,cr-,412
'-C'r.Mg:a = 80
Phase fcc,41

rO.frc-^l
'-Cr,M g :a 80
Phase hcp,43

rO,hcp-/43
''Cr.M g :0 = 80
Phase h c p Z n

r O.hcpZn
Q o = 80 T
Phase liquid

r 0,liquid
'Tr.Mg 94500.0

12;
cMg = >000
1-1-1 Thermochemical Database for Light Metal A lloys

3000 4 i 1 1 1 1 " 1 1 1 L

Liquid' + Liquid"
2500

2000 Liquid"



Q_ 1500 bcc-A 2
E
>

000

hcpyl 3 *
600 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.6 0.6 0.7 0.8 0.9 1.0

Cr ^Mg Mg

Table I Invariant Reactions.

Reaction Type Compositions I M 8 /

Liquid' ? Liquid" + bce-A I monotectic .000 .003 .988 2174.9


Liquid" ? bcc,42 + hcp,43 Degenerate .000 1.000 1.000 923.0

Table II C rystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol


Space Group

CrMg (Cr) W cI2


ImZm

(Mg) Mg hP2
Pb\/mme
System Cr Mn 145

System CrMn

Solution Phases:
Liquid, bcc,42, feeA l, hcp,43, cbcc,412,
cub,413, erL, -tt
Compound:
Cr 3 Mn 5
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
chcc-A12 Substitutional, RedlichKister
cub .413 Substitutional, RedlichKister
I, Sublattice model, (Mn) 8 (Cr) 4 (Cr,Mn)i 8
a II Sublattice model, (Mn) 8 (Cr).,(Cr,Mn) l8
.; Stoichiometric, Cr 3 Mn5

Publication:
Scientific Croup Thermodata Europe Database

T h e r m o d y n a m i c properties of t h e solution and c o m p o u n d phases (J.mol ')

Phase C r 3 Mn 5
0 hrc /,2 pa ,
C(T) - 3.0 ffc .; ' " (298.15 K) 5.0 r7 b c c A I 2 p a r a (298.15 K) =
72550.0 + 21.1732 + 3.0 GIISER C r + 5.0 GHSF.RMn
Phase feeAl
FO.frr
'C'r.Mii:0 - 19088 + 17.5423
Phase cbcc,412
^r'r.Mn"a'2 = - 36796 + 20.385
Phase liquid
r O.liquid
D.liqun
'C'r.Mn
15009 + 13.6587

r 1 .liquid
'Tr.Mn 504 + 0.9479
146 Thermochemical Database for Light Metal A lloys

Phase cub,413
cwLo 1 3 = 31260
+ 16.4919
Phase bcc,42
L
Cr b M:a 2 = " 2 0 3 2 8 + 187339

CrbMC:D2 = 9162 + 4.4183

/X:o2mag = 0.48643
X'o2""18 = 0.72035

Ci""1 = 193265
-O, b e c - Al
c,Cr,Mn:a 1325

Ti2,bccv42 1 1 QQ
1 1 J J
c,Cr,Mn:a ~

3,1o = "10294
rp6,bcc-A2
O.Cr.MniO 26706

rc8cbrc,CMn1o = -28117

Phase L
G"[) - 8.0 ^ r bcc A2 ' para (298.15 ) 22.0 ffbccA12'para(298.15 ) =
G(Mn:Cr:Cr) = 65859.5 + 8.0 GFCCM + 22.0 GHSERcr
G(T) - 26.0 //bccA2'para(298.15 K) 4.0 tfbccA'2'par"(298.15 K) =
G(Mn:Cr:Mn) = 172946.0 + 69.0245 T + 8.0 GFCCMn + 4.0 GHSERc,
+ 18.0 GBCCM
MffrcLr:Cr,Mn = 1095771 + 862.0312 T
Phase oH
G(T) - 8.0 //C' ' ""(298.15 K) 22.0 ffM*bccA,2'par,,(298.15 K) =
bcc A2 p

G(Mn:Cr:Cr) = 192369.0 + 152.4742 T + 8.0 GFCCMn + 22.0 GHSERc,


C(T) - 26.0 //bcc"A2'para(298.15 K) 4.0 H^'cc-A l2-pm(298.15 K) =
G(Mn:Cr:Mn) = 74263.0 10.7082 T + 18.0 GBCCM + 8.0 CFCC Mn
+ 4.0 GHSERc,
Mffn7cH,:C,,M = 90000
System Cr-Mn 147

Z*_ fccyll

Cr ^Mn Mn

Table I Invariant Reactions.

Reaction Type Compositions ' /

bcc,42 + . 5=* Cr 3 Mn 5 Peritectoid 570 .719 .625 1197.8


bec-A + L Eutectoid 758 .683 .760 1268.1
Liquid + bcc,42 ^ Peritectic 813 .717 .755 1598.4
Liquid + ^ bcc,42 Peritectic 876 .794 .831 1556.2
bcc-AI cub-A lZ + Eutectoid 880 .873 .894 1293.6
bcc,42 + fcc,41 *=* cub,413 Peritectoid 898 .993 .913 1382.1
H L + cub,413 Eutectoid 815 .811 .910 1264.4
L + cub,413 ^ ebcc- A \1 Peritectoid 812 .934 .910 1117.4
148 Thermochemical Database for Light Metal Alloys

Table II - Crystal S t r u c t u r e and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Comments


Space Group

Cr-Mn (Cr) W cI2


ImZm

Mn - c58 cbcc-,412
143m

/?-Mn /?- cP20 cub-,413


P4\ 323m

7-Mn Cu cF4 fee-Al


Fm3m

Mn W c2 bcc-,42
ImZm

' Cr,Mni_ x HT 0

n" Crj-Mni-j LT -

Cr r Mni_ x HT ffCrFe tP30


P42/mnm

Crj-Mni-r MT CrFe IPSO


P4-i/mnm

Cr r Mni_ r LT aCr?e IP30


P4->/mnm
System Cr-Si 149

System CrSi

Solution Phases:
Liquid, bcc-,42
Compounds:
Cr 5 Si 3 , CrSi,, Cr 3 Si-,415, CrSi 2
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
Cr 3 Si-.415 Sublattice model, (Cr,Si) 3 (Cr,Si)
CrSi 2 Sublattice model, (Cr,Si)(Cr,Si) 2
Cr s Si 3 Stoichiometric, (Cr) 5 (Si) 3
CrSi Stoichiometric, (Cr)(Si)

Assessor and Date:


C.A. Coughnanowr, I. Ansara, and ILL. Lukas,
Publication:
Calphad, 18, 2, 125-140 (1994).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase liquid

r 0,liquid
Cr.Si 119216.90 + 16.11445

r 11 .liquid
.liquir:
'-Cr.Si
47614.70 + 12.17363

Phase bcc-,42

r0.bcc-/12
'Cr.Si - 104537.94 + 10.69527
r l.bcc-A2
''Cr.Si -47614.70 + 12.17363
150 Thermochemical Database for Light Metal A lloys

Phase C r 3 Si/115
bcc /,2 para
G"() - 4.0 //t; ' (298.15 ) = G(Cr:Cr) =
20000.0 + 10.000 + 4.0 GHSERc,
C(T) 3.0 //C'bccA2,para(298.15 K) //|;diamond(298.15 K) = G(Cr:Si) =
126369.35 + 4.15051 + 3.0 GHSERc, + GIISERsi
<7(T) // Cr bcc ' 42para (298.15 K) 3.0 //;diMnond(298.15 K) = G(Cr:Si) =
233507.47 74.15051 + GHSERc, + 3.0 GHSERSi
C(T) - 4.0 //s;Hiamond(298.15 K) = G(Si:Si) =
208000.0 80.000 + 4.0 GHSERsi
/<?&?:?, = r<6?M = 107840.95

iVSrk = SSS = 13020.93


Phase C r5Si3
bcc /12,para
C(T) - 5.0 //Cr (298.15 K) 3.0 tfs>.diamn'l(298.15 K) =
316433.0 + 1065.82816 182.578184 InT
23.919688E3 2 2.31728E06 3
Phase C rSi
bcc /,2 para
C(T) - // c ' ' (298.15 K) //i'diamonrt(298.15 K) =
78732.28 + 311.58392 51.62865 InT
4.47355E03 2 + 391330 " 1
Phase C rSi2
bcc /l2 para
C(T) - 3.0 // c ' ' (298.15 K) = G(Cr:Cr) =
10000.00 1.0 + 3.0 GHSERc,
C(T) - // c ' bcc 42para (298.15 K) 2.0 //s;diamond(298.15 K) = G(Cr:Si) =
96694.43 + 333.33835 57.855747 InT
13.22769E03 2 0.43203E06 3
C(T) - 2.0 //c'rbcc'42'para(298.15 ) //|i,i,"mo"H{298.1.5 ) = G(Si:Cr) =
148569.93 12.65342 + 2.0 GHSERc, + GIISERsi
C(T) - 3.0 tf'diamond(298.15 K) = G(Si:Si) =
' 78860.26 15.77206 + 3.0 GIISERsi
f.^csr;si = siCc,Ss = 35879.97 + 7.17599
System Cr-Si 151

Cr Xc, > Si

Table I Invariant Reactions.

Reaction Type Compositions xs\ /

Liquid ^ bcc,42 + Cr3Siy115 Eutectic .154 .115 .233 1957.4


Liquid ^ C r 3 S i / 1 1 5 + Cr 5 Si 3 Eutectic .364 .272 .375 1950.0
Liquid + Cr 5 Si 3 r CrSi Peritectic .560 .375 .500 1718.5
Liquid ^ CrSi + CrSi2 Eutectic .574 .500 .656 1708.8
Liquid ^ CrS2 + diamond Eutectic .864 .673 1.000 1606.7
Cr.iSi.415 ^ Liquid Congruent .025 .025 2049.5
C5S3 1* Liquid Congruent .375 .375 1951.0
Cr^Si 5^ Liquid Congruent .666 .666 1741.0
152 Thermochemical Database for Light Metal Alloys

Table II Crystal S t r u c t u r e and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space G roup lattices

Cr Si (Cr) W cI2 M 2
ImZm

(Si) diamond-,44 cF8


Fd3m

CrSi FcSi cP8 Cr 4


P2i3 Si 4

CrSij CrS2 hP9 Cr 3


P6222 Si 6

Cr 3 Si CraSi cP8 Cr 6 CraSi-,415


PmZn Si 2

Cr 5 Si 3 Si 3 W 5 1132 Cr, 4 tI38 in Masi


14/mcm Cr 2 16
Si, 4
Si 2 8

Cr5S3 Mn5Si3 hPl6 not considered


Poi/mcm
System Cr Ti 153

System CrTi

Solution Phases:
Liquid, bcc,42, hcp,43

Compounds:
LavesC14, LavesCl5

Modelling:

Liquid Substitutional, RedlichKister


bcc,12 Substitutional, RedlichKister
hcp/13 Substitutional, RedlichKister
LavcsCl4 Sublattice model, (Cr,Ti) 2 (Cr,Ti)
Laves 5 Sublattice model, (Cr,Ti) 2 (Cr,Ti)

Assessor and Date:


N. Saunders, 1992

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase L a v e s C l 4

C(T) - 3.0 //; b c c y , 2 p a r a (298.15 K) = G(Cr:Cr) = 15000.0 + 3.0 GHSERc,


C(T) - 2.0 //c0.'rbrc_>12'para(298.15 K) //"Thcp_/,3(298.15 K) = G(Cr:Ti) =
1440.0 6.75 + 2.0 GHSER Cr + GIISER T
C(T) // c ; bcc /,2 para (298.15 K) 2.0 H^cp-A 3(298.15 K) = G(Ti:Cr) =
15000.0 + G H S E R c + 2.0 GHSER Ti
C(T) 3.0 //;hrp43(298.15 K) = G(Ti:Ti) =
15000.0 + 3.0 GHSERTI
iO,I,avrsCH rO,LavesCI4 ennnn r
''CrCr.li = huCr.T, = 60000.0

r 0,l.avr--C
''Cr,ri:Cr = LCr,Ti:'l'i 60000.0
154 Thermochemical Database for Light Metal A lloys

Phase LavesC l5

G'() - 3.0 //'c'rbcc>l2'para(298.15 ) = G(C r:C r) = 15000.0 + 3.0 GHSERc,


C(T) - 2.0 Fc;bcc_>l2'para(298.15 K) //'ihcp">,3(298.15 K) = G(C r:Ti) =
1780.0 6.3 + 2.0 GHSERc, + GHSERT
C(T) - //c'bcc_/,2'para(298.15 K) 2.0 H^cp-A3 (298.15 ) = G(Ti:C r) =
15000.0 + GHSERc, + 2.0 GHSERT
G"() - 3.0 //T;hrp/l2(298.15 ) = G(Ti:Ti) = 15000.0 + 3.0 GHSERT
rO.Mvrn-ClS rO,LVMC15
''CnCrJi
v
Ti:Cr,T = 50000.0

r O,I,veC15 rO,LsvMC15
'Cr,Ti:Cr -Or.Ti-.T,

2100

1900

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cr , > Ti
Phase liquid
,., = 5 2 5 0
'Cr.T

{j** = 1500

Phase hep A3

gff3 = 32500
System Cr-Ti 155

Phase bcc-,42
I 0.bcc-,42
''Cr,Ti:D 19100

r 1,bcc-,42
''Cr,Ti:G 5500

r 2.bcc-,t2
-Cr.TiiQ 1750

Table I - Invariant R e a c t i o n s .

React ion Type Compositions x-n T/K

bee- Laves-Ci5 + hcp-,43 Eutectoid .884 .365 .994 959.7


bec-Al + Laves-C15 ^ Laves-Ci4 Peritectoid .593 .353 .362 1495.3
Laves-C14 ^ bcc-,42 + Laves-C15 Eutectoid .336 .027 .342 1093.4
Laves-CH ^ bcc-,42 Congruent .333 .333 1645.0
bcc-,42 ^ Liquid Congruent .563 .563 1677.0

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Comments


Space Group

Cr-Ti (Cr) W eI2


ImZm

(Ti) Mg hP2
P6i/mmc

(Ti) VV cI2
ImZm

o- Cr2Ti Cu 2 Mg cF24 Laves-C15


FdZm

Cr 2 Ti MgZn2 hP12 Laves-C14


P&s/mmc.

7 Cr 2 Ti MgNi2 hP24 Laves-C36


P&i/mmc
156 Thermochemical Database for Light Metal A lloys

System C rV

Solution Phases:
Liquid, bcc,42
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 : Substitutional, RedlichKister

Publication:
Scientific Group Thermodata Europe Database

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase bccA2

f'C%nM = 987A
2-mA T

Lly-DA2 = 1720 2.5237

Phase liquid
jMiquM _ _ 9874 _ g (gg,, j ,

^ = 1720 2.5237
System Cr-V 157

2400-1 ' ' ' L J I I L

^ 2300- Liquid

Q)
v_
2200-


Q.
E
o bcc-j4 2
I 2100-

2000
1 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cr xv -* V
Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Cr-V (Cr) W cI2


ImZm
(V) W cl2
ImZm
158 Thermochemical Database for Light Metal A lloys

System CrZn

Solution Phases:
(stable) Liquid, bcc,42, hcpZn
(metastable) fcc,41

Compounds:
CrZnin, CrZni7
Modelling:

bcc,42 Substitutional, RedlichKister


fcc-Al Substitutional, RedlichKister
hcpZn Substitutional, RedlichKister
Liquid Substitutional, RedlichKister
CrZn ) 3 Stoichiometric,(Cr)(Zn)i3
CrZn,7 Stoichiometric, (Cr)(Zn)i7

Assessor and D a t e :
I. Ansara, 1992

2400 J L

2160
Liquid
1900

hepZn
400
0.0 0.1 02 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cr ^Zn Zn
System Cr Zn 159

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase bcc,42
r O.bcc A2 rr,
''Cr.Zn:D - O 1

P h a s e fcc,41
70.1vx-.41
''C'r,7,n:D 80

Phase h c p Z n
r 0.hcpZn
'Cr,Zn:D = 80

Phase liquid

/,g:d = 19000

/ A ' = 1000

Table I Invariant Reactions.

Reaction Type Compositions xin T/K

Liquid + bcc,42 ^ CrZn] 3 Peritectic 0.996 0.000 0.928 761.4


Liquid + CrZni3 5=* CrZni7 Peritectic 0.998 0.928 0.944 736.5
Liquid ^ CrZni7 + hcpZn Degenerate 0.999 0.944 0.999 692.5

Reaction uncertain

Phase C r Z n ^

C(T) - llcc-A 2p
"*(298.15 K) 13.0 W^ h<:p " A3 298.15K)

9800.0 + GHSERc, + 13.0 GHSER 2

Phase C rZn, 7

C(T) - // c ; bcc ' 42 ' para (298.15 K) 17.0 //^ h c p A 3 (298.15K)


11700.0 + GHSERc, + 17.0 GHSER Zn
160 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Cr-Zn (Cr) W cI2


ImZm

(Zn) Mg hP2
Pb~a/mmc

CrZn13 CoZn,3

CrZni7
System Cr-Zr 161

System CrZr

Solution Phases:
(stable) Liquid, bcc,42, hcp,43
(metastable) fcc-Al

Compounds:
LavesC14, LavesC15, LavesC36

Modelling:

bcc-,42 Substitutional, RedlichKister


fcc-Al Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Liquid Substitutional, RedlichKister
La ves Cl 4 Sublattice model, (Cr,Zr) 2 (Cr,Zr)
I,avesC15 Sublattice model, (Cr,Zr) 2 (Cr,Zr)
LavesC36 Sublattice model, (Cr,Zr) 2 (Cr,Zr)

Assessor and Date:


K. Zeng, M. Hmlinen, and I. Ansara (1993)

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase LavesC 14

C(T) - 3.0 // Cr bcc ' 42 ' para (298.15 K) = G(Cr:Cr) =


15000.0 + 3.0 GHSERcr
C(T) - 2.0 // c ; bcc ' 42lPara (298.15 K) H^cp-A 3(298.15 K) = G(CnZr)
8 1 1 4 1 1 . 6 5 2 + 2.0 GHSERc, + GHSER Zr
C(T) - // c ' r bcc " 2 ' para (298.15 K) 2.0 H^cp-A 3(298.15 K) = G(Zr:Cr)
38114 + 11.652 + GHSERc, + 2.0 GIISER Zr
C(T) - 3.0 ^~3(298.15 K) = G(Zr:Zr) =
15000.0 + 3.0 GHSER Zr
f 0,LavoC14
v
Cr,Zr:Cr ^,01" = 52300
rO,LavcCH r 0,Laves C14
'Tr-Cr 7, ^Zr:Cr,'/r 26060
162 Thermochemical Database for Light Metal Alloys

J I I I I I I I L
2360-

2100-

1850-

O
1600-

CD
O 1350
O.


bcc-^4 2

<D 1100-
hcp-/t3
850-

B00 I 1 r^ 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cr x 7 , -* Zr

Phase Laves-Cl5

G"() - 3.0 //c,bcc-/12'p,"'a(298.15 ) = G(Cr:Cr) =


15000.0 + 3.0 GHSERc,
C(T) - 2.0 ffc,bcc-/t2'para(298.15 K) - /V|'hcp-/,3(298.15 K) = G(Cr:Zr)
-87273 + 29.915 T + 2.0 GHSERc, + GIISERZr
G(T) - //Crbcc"'42'para(298.15 K) - 2.0 //z;hcp_>,3(298.15 K) = G(Zr:Cr)
387273 - 29.915 T + GHSERc, + 2.0 GHSERZr
C(T) - 3.0 //z'hcp-'43(298.15 K) = G(Zr:Zr) =
15000.0 + 3.0 GHSERZr
rO.LVM-C15
''Cr.ZnCr = 70328

rO.Ijvr.-Cl5
''Cr,Zr:/,r = 70328

rn,I,ave.-C15
''CnCr.Zr = 62910

FO.LavM-CIS
''/,r:Cr,Zr = 62910
System Cr-Zr 163

Phase LavesC 36

G"() - 3.0 //c'rbcc'42'para(298.15 ) = G(Cr:Cr) =


15000.0 + 3.0 GHSERc,
C(T) - 2.0 //c'bcc42'para(298.15 K) //Zrhcp_/,3(298.15 K) = G(Cr:7,r) =
70026 + 20.901 + 2.0 GHSERc, + GHSERZr
C () - // c ; bcc /t2para (298.15 ) 2.0 H^cp~A 3 (298.15 ) = G(Zr:Cr) =
100026.08 20.901 + GHSERcr + 2.0 GHSERZr
G" () 3.0 //|; hrp 43 (298.15 K) = G(ZnZr) =
15000.0 + 3.0 GHSERZr
r 0,LavesC36 ?EO I
''Cr.ZrrCr = 52614

ic\ZTrC36 = 52614

I<cl%iC3R = 29400

UZT = 2940
Phase liquid

A^'; id = 12971.34 + 1.20015

\^ = 8025.96 0.74259

^.Liquid _ _ 9984 87 + 0.92383

Phase bcc,42
l
-c^zr7a2 = 16555.47 + 4.92028

c'X"2 = 11365.57

Phase fcc,41

ttXa = 20000

Phase hcp,43

/CrXa43 = 15800
164 Thermochemical Database for Light Metal Alloys

Table I - Invariant Reactions.

Reaction Type Compositions *Zr r /K

Liquid ^ Lave8-C15 + bec-Al Eutectic .765 .359 .916 1607.9


Laves-C36 ^ Laves-(715 + Liquid Metatectic .359 .348 .573 1839.6
Liquid + Laves-C14 F* Laves-C36 Peritectic .461 .346 .348 1900.0
Laves-C36 ^ Liquid + Laves-CM Metatectic .316 .218 .321 1895.9
Liquid ^ bcc-,42 + Laves-C36 Eutectic .173 .014 .313 1864.6
I.aves-C36 ^ bcc-,42 + Laves-C15 Eutectoid .314 .012 .333 1816.1
bec-Al Laves-C15 + hcp-,43 Eutectoid .984 .340 .994 1112.3
Laves-C14 ^ Liquid Congruent .333 .333 1946.5
Laves-CIS ^ Laves-C36 Congruent .340 .340 1858.0

Table II - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Cr-Zr (Cr) W cI2


ImZm M 2

(Zr) Mg hP2 M 2
Pb\/mmc

(Zr) W cl2 M 4
ImZm

cr-Cr 2 Zr CujMg cF14 M, 8 Laves-(715


Fd'Zm M2 16

/J-Cr 2 Zr MgNij hP14 Cr, 6 Laves-C.36


PGi/mmc Cr 2 6
Zr, 3
Zr2 3

7-Cr 2 Zr MgZn2 hP\2 Cr 2 Laves-CH


P/mmc Cr 6
Zr 4
System Cu-Fe 165

System Cu-Fe

Solution Phase s
(stable) Liquid, fcc-Al, bcc-,42
(metastable) hcp-,43

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor and Date :


I. Ansara, and . Jansson
Publication:
Trita-Mac-0533, Dec. 1993, Materials Research Center,
The Royal Institute of Technology, Stockholm (Sweden)

T h e r m o d y n a m i c prope rtie s of t h e solution phase s (J.mol ')

Phase bcc-,42

0,bcc-,42
Cu,Fr:0 39258.0 - 4.14983

Phase fcc-,41

a,!cc-Al
'Cu,Fe:0 48232.5 - 8.60954

1,fcc-,41
''Cu,Fe:D 8861.88 - 5.28975

Phase hcp-,43

r 0,hcp-/t3
''Cu,Kr:0 48232.5 - 8.60954

l.hrp-.
''Cu.FriO 8861.88 - 5.28975
166 Thermochemical Database for Light Metal Alloys

P h a s e liquid

r ,
''Cu = 36088.0 - 2.32968

1,liquid
''Cu.Fe = 324.53 - 0.03270

2,liqilirl
''Cu.Fe = 10355.40 - 3.60297

J ' L

1900-
Liquid bccA2

1700-

1600-


4-> 1300-

-
)
. 1100-
-

I- 900-
*-fcc-Al' bccjl 2
700-

500 I I I I I I I I I
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 OB 0.9 1.0
Cu Fe

Table I Invariant Reactions.

Reaction Type Compositions xpf /

Liquid + bcc,42 ? fcc,41" Peritectic .880 .933 .927 1762.4


Liquid + fcc,41" ^ fcc-A V Peritectic .034 .936 .047 1371.4
fcc ? fee-A]' + bcc,42 Eutectoid .975 .012 .984 1115.9
System Cu-Fe 167

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Cu-Fe (Cu) Cu cF4


Fnm

(Fe) Cu cF4
FmZm

(Fe) W cI2
ImZm
168 Thermochemical Database for Light Metal A lloys

System C uLi

S o l u t i o n Phases:
(stable) Liquid, bcc,42, fcc,41

Solution P h a s e s
(metast able) hcp,43

Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister

Assessor and D ite:


N. Saunders, 1991

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

P h a s e becAl

O.hcc,42
'Cu.l.hO 50000

P h a s e fcc,41

,0,frc,4l
''Cu,l,i:a 2750 + 1 3 . 0

r l.rcc
''Cu.l.iiD 1000

Phase hcp,43

r0,hcp/t3
''Cu.l,i:D 2042 + 10.9617

Phase liquid

'Cu.qm.l _ 6 6 0 f ) 0 _ 4 4 7 2 3 j.
System Cu-IA 169

Cu Xu

Table I - Invariant Reactions.

Reaction Type Compositions ,, T/K

Liquid F ' fee-/Il + bcc-,42 Degenerate 1.000 0.228 1.000 453.6

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pears. Symb.


Space Croup

Cu-Li (Cu) Cu cF4


FmZm

(Li) W
ImZm
170 Thermochemical Database for Light Metal A lloys

System C u M g

Solution P h a s e s
(stable) Liquid, fcc-A l, hcp,43
(metastable) bccf2, hcpZn

Compound:
(stable) LavesC15, CuMg 2
(metastable) LavesCl4, LavesC36, CuZn7
MgZn, Mg 2 Zn 3 , Mg 2 Znn

Modelling:

Liquid Substitutional, RedlichKister


fccAl Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
LavesCl5 Sublatticemodel, Cu,Mg) 0 .s(Cu,Mg)o.5(n)3
CuMg2 Stoichiometric, CuMg 2
bcc,42 see below
bcc52 Sublattice model, (Cu,Mg)o.5(Cu,Mg)o.5
Two descriptions of the bcc/12:bcc2 orderdisorder
transformation are given: one which includes the
parameters of the order and disordered phases in a single
description (equation 21 in the thermodynamic
modelling chapter), and a second one where the order
and disorder contributions are expressed by equation 23.
For the second case, the parameters are in a frame.
hcpZn Substitutional, RedlichKister
CuZn7 Stoichiometric, (Cu) 2 (Cu) 2 (Cu) 3 (Mg) 6
Mg 2 Zn n Stoichiometric, (Cu)n(Mg) 2
Mg 2 Zn 3 Stoichiometric, (Cu) 3 (Mg) 2
MgZn Stoichiometric, (Cu)i 3 (Mg)i 2
LavesCl4 Sublatticemodel, (Cu,Mg) 2 (Cu,Mg)
LavesC36 Sublatticemodel, (Cu,Mg) 2 (Cu,Mg)

A s s e s s o r and Date:
C.A. Coughnanowr, I. Ansara, R. Luoma,
M. Hmlinen, and H.L. Lukas
Publication:
. fr Metallkde., 82, 7, 574581 (1991).
Comments:
A new assessment was performed where the lattice
stabilities of Cu and Mg in the LavesCl5 structure were
taken equal to 15kJ/formula unit, in order
to ensure consistency in the database.
System Cu-M g 171

1500- J I I I I I L

0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cu x Ma -> Mg

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases ( J . m o l - 1 )

Phase liquid
r 0.liquid
'-Cu.Mg 36962.71 + 4.74394

r I .liquid
''Cu.Mg 8182.19

Phase f c c - A l
I n Sec-AI
''Cii.MgrO - 22059.61 + 5.63232

Phase hcp-,43
r O.hcp-^3
''Cu,MK:D 22500.0 - 3.0
172 Thermochemical Database for Light Metal A lloys

Phase hcpZn

'cu,Mg7on = 22500.03.0

Phase LavesC l4

C(T) - 3.0 ffc'ufcc4,(298.15 K) = G(Cu:Cu) = 15000.0 + 3.0 GHSF,RC


C(T) - 2.0 /^" 4 1 (298.15 ) II^hgcp-A 3(298.15 ) = G(Cu:Mg) =
24691.0 + 364.73085 69.276417 InT 5.19246E04 2
+ 143502 " 1 5.659536 3
C(T) - IICCC-A 1 (298.15 ) 2.0 //M'Jcp_'43(298.15 ) = C(Mg:Cu) =
74970.96 16.46448 + CHSERcu + 2.0 GHSERMg
C(T) - 3.0 II^c-A l (298.15 K) = G(Mg:Mg) = 15000.0 + 3.0 GHSF.RMg
r 0,I,avee Cl 4 rO,Laves
C 14 l'ini 1
''Cu,Ms:Cu ^Cu.MgiMg lolJ.JO

rO,LavesC14 rO,Laves
C 14 C C OO
_
''Cu:Cu.Mg ^Mgt
C u.Mg t>O3.40

Phase LavesC l5

C(T) 3.0 Hc-M (298.15 K) = G(Cu:Cu) = 15000.0 + 3.0 GHSERC


C(T) - 2.0 Hc[cc~M(298.15 K) //M'Jcp>,3(298.15 K) = G(Cu:Mg) =
54691.0 + 364.73085 69.276417 InT 5.19246E 04 2
+ 143502 1 5.65953E6 3
d"(T) - ircc~M (298.15 ) 2.0 H\cp-A 3(298.15 ) = G(Mg:Cu) =
104970.96 16.46448 + GHSERcu + 2.0 GHSERMg
C(T) - 3.0 //Mgcc_/41 (298.15 ) = G(Mg:Mg) = 15000.0 + 3.0 GHSERMg
r ,- C l 5 rO,LaveCl5 1 '1(111 *
'-Cu.MgiCu ^Cu.MgiMg 1*>UI1.J0

rO.LaveeC15 j-O,LavesCI5 tyenn AC



''Cu:Cu.Mg = Mg:Cu,Mg = 6599.45

Phase Laves-C36

C(T) - 3.0 //ufcc-/ll(298.15 K) = G(Cu:Cu) = 15000.0 + 3.0 GHSERc,,


C(T) - 2.0 //Cufcc-yU(298.15 K) - H^cp-A3(298.15 K) = G(Cu:Mg) =
-34691.0 + 364.73085 T-69.276417 T-InT - 5.19246E 04 T2
+ 143502 T"' - 5.65953E-6 T 3
System Cu-Mg 173

G(T) - ffccc~A (298.15 K) 2.0 H^cp-A 3(298.15 K) = G(Mg:Cu) =


84970.9616.46448 + GHSERCu + 2.0 GHSERMg
C(T) - 3.0 /7M'gcc'41(298.15 K) = G(Mg:Mg) = 15000.0 + 3.0 GHSERMg
rO,LavesC36 rO,LavesC36 1 11 1 Q
''Cu.MgCu ^Cu.Mg^g lOUll.JO

r 0,I,aveeC36 iO,LavesC36 fiCOO .


;
'Cu:Cu,Mg ^Mgu.Mg ooya.to
Phase C uMg 2
C(T) - r7c'uCC"'41 (298.15 K) 2.0 rYM'gCp_/43(298.15 K) =
28620.0 + 1.86456 + GHSERcu + 2.0 GHSERMg

Phase C uZn7
K4 = 11552.71 1.67824
K5 = 15732.3 10.26575
K7 = 9000.0 1.5
C(T) - 7.0 / / f ^ 1 (298.15 ) 6.0 // ^ _3 (298.15 ) = G(Cu:Cu:Cu:Mg) =
13.0 4 + 2.0 5 + 6.0 7 + 7.0 GHSERcu + 6.0 GIISERMg

Phase Mg2Znn
C(T) 11.0 Hcicc~A 1 (298.15 K) 2.0 H$cp-A 3(298.15 K) = G(Mg:Cu) =
0.0 +11.0 GHSERcu + 2.0 GHSERMg

Phase Mg 2 Zn 3
C(T) - 3.0 if c f (298.15 K) 2.0 lQhgcp-A 3(298.15 K) = G(Mg:Cu) =
c 41

0.0 + 3.0 GHSERc + 2.0 GHSERMg

Phase MgZn
fcc_/U
C(T) - 13.0tfc'u (298.15 K) 12.0 ^-3 (298.15 ) = G(Mg:Cu) =
0.0 + 13.0 GHSERcu + 12.0 GHSERMg

Phase bccB2
CCu : Mg = 0.0
i,Cu,Mg = 2500
C(T) - ircicc~M (298.15 K) = G(Cu:Cu) = GBCCCu
C(T) - 0.5 /7c'ufcc/,1(298.15 K) H^cp-A 3 (298.15 K) = G(Cu:Mg) =
G*Cu : Mg + 0.5 C u M g + 0.5 GBCCC + 0.5 GBCCMg
174 Thermochemical Database for Light Metal A lloys

G"(T) - 0.5 Hcicc-A l(298.15 K) 0.5 H^hgcp-A 3(298.15 K) = G(Mg:Cu) =


G'Cu : Mg + L CuMg + 0.5 GBCCCu + 0.5 GBCCMg
C(T) - If^-^(298.15 K) = G(Mg:Mg) = GBCCMg
C S * = c'u,Mg:Mg:o = C'Cu : Mg + f,Cu, Mg
,0,bcc-H2
u rO,bccB2
L'Cu:C,Mg:D
r^r7.Z,i.n = LtZZZJ..n
v
Mg:Cu,Mg:D = C C u : Mg + LCu,Mg

Phase bccB2

<^C:Mg = 0.0
Cu.Mg = 2500

G(T) - I1c'uC~A i(298.15 K) = G(Cu:Cu) = 0.0

C(T) - 0.5 H^cc-A l (298.15 K) 0.5 / / ^ c p _ > l 3 ( 2 9 8 . 1 5 K) = G(Cu:Mg) = 2.0 G'Cu : Mg

C(T) - 0.5 Hicc-A 1 (298.15 K) 0.5 / / ^ c p _ A 3 ( 2 9 8 . 1 5 K) = G(Mg:Cu) = 2.0 c7*Cu : Mg

G"(T) 7 7 ^ c p _ ' 4 3 ( 2 9 8 . 1 5 K) = G(Mg:Mg) = 0.0

Phase bcc,42

' o = 40 "Cu, Mg

Table I Invariant Reactions.

Reaction Type Compositions iM g /

Liquid 5=^ fcc,41 + LavesC15 Eutectic .209 .069 .313 998.6


Liquid ^ I,aveC15 + CuMg 2 Eutectic .595 .356 .667 825.5
Liquid ? CuMg 2 + hcp,43 Eutectic .839 .667 1.000 759.7
CuMg 2 ^ Liquid Congruent 0.666 0.666 841.0
LavesC15 ^ Liquid Congruent 0.333 0.333 1073.5
System Cu-Ni 175

System C u N i

Solution Phases:
(stable) Liquid, fccAl
(metastable) bcc,42, hcp,43

Modelling:

Liquid : Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Subst it utional, RedlichKister
hcp,43 Substitutional, RedlichKister

Assessor and Date:


S. an Mey
Publication:
Calphad, 16, (3), 255260 (1992)

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

r0,bcc42
'Cii.Nha 8047.72 + 3.42217

''Cu.NiiQ 2041.3 + 0.99714

Phase fcc,41

rO,fcc41
'Cu.Niia = 8047.72 + 3.42217

, l.tre-Al
'Cu.Nira = 2041.3 + 0.99714

jOJcc-Al
'c,Cu.NI:Q = 935.5

rpl.fcC-Al
'c.Cu.NI:D = 594.9

/oO.mag.fcc Al
>'Cu.Ni:n = 0.7316

ol.mag.fcc Al
''C,N:0 = 0.3174
176 Thermochemical Database for Light Metal Alloys

Phase hcp-,43

rO,hrp-,43
''Cu,N',:n 8047.72 + 3.42217

r l.hcp A3
''Cli,Ni:D 2041.3 + 0.99714

Phase liquid

r 0,liquid
''Cu.Ni 12048.61 + 1.29893
j 1,liquid
''Cu.Ni 1861.61 + 0.94201

20O0- J I I I I I I I L

Liquid
1750-

fcc-A\

750-

600 r~ 1 1 1 1 1 1 r
0.0 0.1 02 0.3 0.4 0.5 . 0.7 0.8 0.9 1.0

Cu Ni

Table I - Invariant Reaction.

Reaction Type Compositions INI /

fcc-,41' ? fcc-,41" Critical Temp. 0.600 0.600 641.0


System Cu-Ni 177

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Cu-Ni (Cu) Cu cF4


FmZm

(Ni) Cu cF4
FmZm
178 Thermochemical Database for Light Metal A lloys

System C uSi

Solution Phases:
(stable) Liquid, bcc,42, fcc,41
(metastable) hcp,43

Compounds:
(stable) C1156S117, Cu^Sie, CuigSieT? , CuMS7<S
(metastable) LavesCl5

Modellin SI

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc-Al Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Gu 5 6 Si|,7 Stoichiometric, (Cu) 56 (Si)
Cu 4 Sif Stoichiometric, (Cu)4(Si)
Ciii 9 Si 6 r/ Stoichiometric, (Cu)i 9 (Si)e
CU33S7 Stoichiometric, (Cu);j3(Si)7
LavesC15 Sublattice model, (Cu,Si) 2 (Cu,Si)

Assessor and D a t e :
M. Jacobs, 1991. Revised by T. Bhler et al. 1997

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase bcc,42
r0.hccA2
'O..Si:G = 21740 + 3.9
r l.bccA2
''Cu.Si:0 = 40000 4.39
r2.bcr/12
''Cu.ShO = 100
Phase feeAl
rO.frc-Al
'Cii.Si:0 = 34105.96 1.908
System Cu-Si 179

J I I 1 I I I I L

1700-
Liquid
1500-

diamond -

600 1I 1 1 1 1 1 1
0.0 0.1 02 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Cu ! - Si

1200

1150

1100
a>
1

CO 1050

a.
E 1000-
o

950-

900
0.25

Cu -
180 Thermochemical Database for I/ight Metal A lloys

Phase hcpA3
wO.hcp-Al
''Cu,Si:D 19948 2.356
r 1.hcp,43
'Cu,Si:0 23800 1.97
r2.hrp-A*
''Cu.Siia 20
Phase liquid
r O.liqiliH
''Cu.Si 39688.86 + 14.27467
r 1 .liquid
''Cu.Si 49937.13 + 29.78960
r 2,liquid
''Cu.Si 31810.16 + 18.00804
P h a s e CU33S17S
(7() 33.0 //Cu "'"(298.15 ) 7 . 0 tfs'di,lmond(298.15 ) =
fcc

200372.4 + 4985.675 - 955.5312 0.101066 2


+ 4.239606 3 + 2968440 " 1
Phase CuseSiny
cc A l
(7()56.0 IIc ~ (298.15 ) 11.0 tf|;diamond(298.15 ) =
69000 + 405 107.73 + 46.0 GIISERcu
+ 11.0 GIISERsi
Phase C uSie
cc A l
G(T) - 4.0 H^ - (298.15 K) //s'diamond(298.15 K) =
39974.35 + 858.5047 T 154.6764 T InT
+ 0.01074864 T2 + 5.1335E07 T 3 + 386580 T" 1
Phase C ui9Si6T,
C(T)-19.0 IIci ~ (298.15 K) 6.0 //^ ,, (298.15 K) =
A
cc 1

- 137488.5 + 3119.537 T - 595.1259 T- InT - 0.0619575 T 2


+ 2.434 F.-06 T 3 + 2057075 T" 1
Phase Laves-Cl5
C(T) - 3.0 Hrucc-Ai
(298.15 K) = G(Cu:Cu) =
15000.0 + 3.0 GHSERcu
(7(T)-2.0 HC-AI(298.15K)- //"s;diMnond(298.15 K) = G(Cu:Si)
15000.0 + 2.0 GIISERcu + GHSF,RSi
C(T) - /'00"""(298.15 K) 2.0 //|;diamond(298.15 K) = G(Si:Cu)
15000.0 + GIISERcu + 2.0 GHSERSi
C(T) - 3.0 //;dismond(298.15 K) = G(Si:Si)
15000.0 + 3.0 GHSERsi
r ,C*15 rO,LavesC\5 icone t on en T1

'-Cu.SuCu = Cu,Si:Si = ' 5 3 5 + 20.69 /
System Cu-Si 181

Table I Invariant Reactions.

Reaction Type Compositions rsi /

Liquid + fcc,41 ? i /? * Peritectic 154 .112 .146 1125.4


fcc,41 + ' F* " Peritectoid 113 .147 .118 1115.9
fl' ^ " + S Eutectoid 151 .125 .175 1058.6
Liquid + ' ^ S Peritectic 186 .169 .175 1092.7
Liquid S + Eutectic 191 .175 .240 1089.2
+ ^ ( Peritectoid 175 .240 .200 1077.9
S r "' + e Eutectoid 175 .164 .200 955.6
" + s ^ Peritectoid 121 .175 .164 1008.3
< ^ "' + Eutectoid 200 .164 .240 696.5
" fre- + "' Eutectoid 105 .093 .164 825.5
"' ^ {cc-A \ + Eutectoid 164 .072 .240 667.8
Liquid ^ + diamond Eutectic 306 .240 1.000 1073.7
F^ Liquid Congruent 240 .240 1132.0

= ber-A l, hcp,43, '* 7 cub,413

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

CuSi (Cu) Cu cF4 M 4


FmZm

(Si) diamond cFS M 8


FdZm

Mg hPI M 2 hcp,43
P63/mmc Cu 7 Si in [91 Vil]

CiiaSi t" , ', n" in Mas2


denoted Cu^Sit

S hPlI

1 /3Mn cPIO M, 8
P4,32 M2 12

W c/2 M 2 bcc,42
ImZm
182 Thermochemical Database for Light Metal Alloys

System Cu-Y

Solution Phases:
Liquid, bcc-,42, hcp-,43, Cu 6 Y
Compound:
CuY, Cu e Y, Cu 7 Y 2 , Cu 2 Y-R, Cu 2 Y-H, CuY
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
Cu 6 Y Sublattice model, (Cu) 5 (Cu 2 ,Y)
Cu 4 Y Stoichiometric, (Cu) 4 (Y)
Cu 7 Y 2 Stoichiometric, (Cu) 7 (Y) 2
CujY-R Stoichiometric, (Cu) 2 (Y)
Cu 2 Y-H Stoichiometric, (Cu) 2 (Y)
CuY Stoichiometric, (Cu)(Y)

Assessor and Date:


T. Jantzen, 1997.

T h e r m o d y n a m i c properties of t h e solution and c o m p o u n d phases (J.mol ')

Phase bccA2
rO,bcc-,42
^Cu,Y:D 80.0
Phase hcp-,43
rO,bcp-A3
L
Cu,Y:a - 80.0
Phase liquid
r O.liquid
^Cu.Y - 88958.06 + 21.5667
r 1,liquid
^Cu,Y - 33607.31 + 3.10462
r 2,liquid
^Cu.Y 8083.16 - 0.74669
System Cu-Y 183

Phase fccAl

L-M = 80.0

Phase C u 2 YR

C(T)- 2.0 //C'^CC"'41(298.15K) /7Y'hcp_/l3(298.15 K) = G(Cu:Y) =


65324.22 + 6.03462 + 2.0 GHSERCu + GHSERy

Phase C u 2 YH

G(T)2.0 tfc'ufcc_>tl(298.15 ) //<:"3(298.15 ) = G(Cu:Y) =


51788.22 5.96538 + 2.0 GHSERcu + GHSERy
Phase Cu 4 Y

C(T) - 4.0 Hc-M(298.15 K) HyMp~A 3 (298.15 K) = G(Cu:Y) =


89328.5 + 8.25205 + 4.0 GHSERcu + GHSERy

Phase C u6Y

C(T) - 7.0 Hctcc~A 1 (298.15 K) = G(Cu:Cu2) =


35000.0 + 7.0 GHSERcu
C(T) - 5.0 Hfc-A 1 (298.15 ) ~3(298.15 ) = G(Cu:Y) =
89797.58 + 8.2954 + 5.0 GHSF,RCu + GHSERy
CU:CU1Y = 34386.27 + 3.17656

Phase C u 7 Y 2

C(T)-7.0 Hicc-M (298.15 ) 2.0 /7Y'hcp/l3(298.15 ) = G(Cu:Y) =


168519.6 + 15.56757 + 7.0 GHSERCu + 2.0 GHSERy

Phase C uY

C(T) - IIrlcc~M(298.15 K) //'^ 4 ^298.15 ) = G(Cu:Y) =


44616.68 + 4.12162 + GHSERCu + GHSERy
184 Thermochemical Database for Light Metal A lloys

2000 J I I I I I L

1750 bcc-A 2
Liquid

^ 1600
O
i_
hcp,4 3
CO 1250
=PN.
Q. fccjt1
E 1000
03

750

500) 1 1 1 1 1 1 1
0.0 0.1 02 0.3 0.4 0.5 . 0.7 0.8 0.9 1.0

Cu
Table I Invariant Reactions.

Reaction Type Compositions Xy T/K

Liquid ^ CuY + hcp,43 Eutectic .646 . .646 1.000 1070.0


Liquid ^ Cu 2 YR + CuY Eutectic .396 .333 .500 1113.0
Liquid ? Cu 2 YH + Cu 7 Y 2 Eutectic .299 .222 .333 1148.6
Liquid ? Cu 4 Y 4 Cu 7 Y 3 Peritectic .262 .200 .222 1198.0
Liquid + Cu 4 Y ^ Cu 6 Y Peritectic .133 .200 .147 1184.0
Liquid ^ fcc + Cu 6 Y Eutectic .094 .000 .129 1153.0
hcp,43 ^ bcc,42 Polymorphic 1.000 1.000 1752.0
Cu 2 YR Cu 2 YH Polymorphic .333 .333 1128.0
Liquid ^ Cu 4 Y Congruent .200 .200 1224.0
Liquid ^ Cu 2 YH Congruent .333 .333 1149.0
Liquid r CuY Congruent .500 .500 1220.0
System Cu-Y 185

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

CuY (Cu) Cu cF4_ M 4


FmZm

(Y) W ell M 4
ImZm

(Y) Mg hPI M 2
P&3/mmc

Cu 6 Y not in [91 Vil]

Cu 5 Y CaCu5 hP6 Y 1 quoted as


Pd/mmm Cu, 2 metastable in OOMas]
Cu 2 3

Cu 4 Y CaCu 5 ? 6 not quoted in


K/mmm [91 Vil]

Cu 7 Y 2 not in [91V1]

Cu 2 Y CeCu 2 olii Y 4
Imma Cu 8

CuY CsCl cPI Cu 1 bcc02


PmZm Y 1
1S6 Thermochemical Database for Light Metal Alloys

System C u - Z n

Solution Phases:
(stable) Liquid, bcc-,42, bcc-B2, fcc-Al, hcp-A3(CuZn-c),
hcp-Zn

Solution Phases:
(stable) CuZn-7
(metastable) Laves-C14, Laves-C15, Laves-C36

Modelling:

Liquid Substitutional, Redlich-Kister


fcc-,41 Substitutional, Redlich-Kister
hcp-A3(CuZn-e) Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister
CuZn-7 Sublattice, (Cu,Zn) 2 (Cu,Zn) 2 (Cu)3(Zn)6
bcc-,42 see below
bcc-S2 Sublattice model, (Cu,Zn)o.5(Cu,Zn)o.s(0) 3
Two descriptions of the bcc-,42:bcc-B2 order-disorder
transformation are given: one which includes the
parameters of the order and disordered phases in a single
description (equation 21 in the thermodynamic
modelling chapter), and a second one where the order
and disorder contributions are expressed by equation 23.
For the second case, the parameters are in a frame.
Two descriptions of the bcc-,42:bcc-B2 order-disorder
Laves-Cl4 Sublattice model, (Cu,Zn) 2 (Cu,Zn)
Laves-Cl5 Sublattice model, (Cu,Zn) 2 (Cu,Zn)
Laves-C36 Sublattice model, (Cu,Zn) 2 (Cu,Zn)

Assessor and Date:


M. Kowalski, and P.J. Spencer,
Publication:
J. Phase Equil., 14, 4, 432-438 (1993).
Comments:
Based on Kowalski 's data, a new assessment was
performed to differentiate the two hexagonal
forms of Zn.
System Cu-Zn 187

Thermodynamic properties of the solution and compound phases(J.mol~')

Phase fccAl

L
c'SnA = - 42803.75 + 10.02258

LcSJ = 2936.39 3.05323

i'c'SJ = 9034.2 5.39314

Phase hcp,43

LcuzZc? = 36475 + 4.896


L
CUXD3 = 24790.0 10.135
Phase hcpZn

Cu!zPn"Zn = 14432.17 10.7814

Phase liquid
L
c'u,zund = 40695.54 + 12.65269

cu,znd = 4402.72 6.55425
i
cSS d = 7818 1
3.25416

Phase b c c 2
Gcu:Zn:0 = 3085.0
cu.zn = 12898.97 + 3.26598

cu!zn = 945.265 0.80679
L
cu!zn = 1921.485 1.86969
C(T) - Hccc-A 1 (298.15 K) = G (Cu:Cu:D) = GBCCcu
C(T) - 0.5 Hcz-A 1
(298.15 K) 0.5 //^ hcp Zn (298.15 K) = G (Cu:Zn:0) =
Gcu:Zn + Cu.Zn + 0.5 G B C C C u + 0.5 GBCCzn
188 Thermochemical Database for Light Metal A lloys

G"(T) - 0.5 Hccc~A 1 (298.15 K) 0.5 H^cp-2n(298.15 K) = G (Zn:Cu:D) =


GCu:Zn:G + cu.z + 0.5 GBCCcu + 0.5 GBCCZn
G"(T) - 0.5 i/^ hcp_Zn (298.15 K) = G (Zn:Zn:D)= GBCCZn
rO,bccB2 _ rO,bccB2 _ ">. . ro on 71 _L 9. Tl
L
Cu,Zn:Cu:a ^
C ur
C u.ZmO ~ "C uiZniO + ^C u.Zn + ^Cu.Zn + u ^C u.Zn

rl,bccB2 rl,bccB2 M . , r, r2
L q U
Cu,Zn:Cu:D ^
C ut
C u.ZmO ^C u.Zn + - ^
C u.Zn

r2,bccB2 r2,bccB2 n
^Cu.ZniCuiD ^
C ui
C u.ZmO ^C u.Zn

rO,bccB2 _ rO,bccB2 _ /-,. _L (" 1 1 J. 9. 2


^Cu.Zn:Zn:Q ~ ^Zni
C u.Zn ~ ~ L
'C u:Zn:a + ^C u.Zn ~ ) ^Cu.Zn J u ^Cu.Zn

rl,bcc-B2 _ rl,bcc-B2 _ r , n r2
^Cu.ZmZniG ^Zn:Cu,Zn:D ^Cu.Zn ~ 4 ^Cu.Zn

r2,bcc-B2 _ r2,bcc-B2 r 2
^Cu.ZniZniD ^ZniCu.ZmD -^Cu.Zn

rO,bcc-B2 _ 9 4 n I2
^Cu,Zn:Cu,Zn:D A ^C u.Zn

Phase bccB2

Gcu:Z:o = 3085.0
Cu.Zn = 12898.97 + 3.26598

Cu!zn = 945.265 0.80679
L
c,Zn = 1921.485 1.86969

G"() - H^ec-A 1 (298.15 ) = G(Cu:Cu:D) = 0.0

G"(T) - 0.5 Hcicc~A1 (298.15 K) 0.5 ff|;,hcp"Zn(298.15 K) = G(Cu:Zn:0) == 2 0 GCu:Zn:D

G"(T) - 0.5 H^~M(298.15 K) 0.5 ff^hcp_Zn(298.15 K) = G(Zn:Cu:D) == 2.0 G C u : Z n , D

G(T) i/, hcp_Zn (298.15 K) = G(Zn:Zn:D) = 0.0

Phase bcc,42

rO,bccA2 _ 44 n rO
^Cu.ZniO ^C u.Zn
,l,bccA2 _ j n ri
^Cu.ZniD U ^C u.Zn
= 16
^Cu,Zn:0 C u.Zn
System Cu-Zn 189

Phase C uZn7

K4 = 11552.71 1.67824
5 = 15732.3 10.26575
6 = 37289.2 13.05259
C(T) - 7.0 Hc'ucc-M(298.15 ) 6.0 //^ hcp_Zn (298.15 ) = G(Cu:Cu:Cu:Zn) =
13.0 4 + 2.0 5 + 7.0 GHSERcu + 6.0 GHSERZn
C(T) - 5.0 //c'ufcc/ll(298.15 ) 8.0 ^ h c p Z n (298.15 ) = G(Zn:Cu:Cu:Zn) =
13.0 K4 + 2.0 K5 + 2.0 6 + 5.0 GHSERC + 8.0 GHSERZn
C(T) - 5.0 Hccc~A l(298.15 ) 8.0 //^ hcp_Zn (298.15 ) = G(Cu:Zn:Cu:Zn) =
13.0 4 + 5.0 GHSERcu + 8.0 GHSERZn
C(T) - 3.0 H^"M (298.15 K) 10.0 tfZnhcpZn(298.15 K) = G(Zn:Zn:Cu:Zn) =
13.0 K4 + 2.0 K6 + 3.0 GHSERcu + 10.0 GHSERZn

Phase LavesC l4

C(T) - 3.0 Hcicc-M(298.15 K) = G(Cu:Cu) = 15000.0 + 3.0 GHSERCu


C(T) 2.0 Hcicc~M(298.15 K) H^cp~Zn (298.15 K) = G(Cu:Zn) =
15000.0 + 2.0 GHSERcu + GHSERZn
C(T) - Hicc-A l (298.15 ) 2.0 //z;hcp_Zn(298.15 ) = G(Zn:Cu) =
15000.0 + GHSERcu + 2.0 GHSERZn
C(T) - 3.0 tfz;!,cpZn(298.15 K) = G(Zn:Zn) = 15000.0 + 3.0 GHSERZn

Au0'4 = 4'u,ZnMz"nC14 = 75305.48

Phase LavesCl5

C(T) - 3.0 Hccc~A i(298.15 K) = G(Cu:Cu) = 15000.0 + 3.0 GHSERCu


C(T) - 2.0 //Cufcc_'41(298.15 K) / / z f p_Zn(298.15 K) = G(Cu:Zn) =
15000.0 + 2.0 GHSERcu + GHSERZn
C(T) - HCC~M(298.15 ) 2.0 H*_(298.15 ) = G(Zn:Cu) =
15000.0 + GHSERcu + 2.0 GHSERZn
C(T) - 3.0 /7ZnhcpZn(298.15 K) = G(Zn:Zn) = 15000.0 + 3.0 GHSERZn
O,Laves C15 r 0,Laves C15 7 0 0 0 ^ CO
L Cu,Z:Cu = L
Cu,Zn:Zn = " '24.b^

rl,LavesCl5 r O.Laves C15 o c c o n (\C


Lr7.r = n77 = 25529.06
190 Thermochemical Database for Light Metal A lloys

Phase LavesC36

C(T) - 3.0 Wc'ufcc'41(298.15 K) = G(Cu:Cu) = 15000.0 + 3.0 GHSERcu


o.hcpZn,
C(T) - 2.0 ir'c,ur<:c""4I(298.15 K) ^ nZn
cp in
( 2I9 8 . 1 5 K) = G(Cu:Zn) =
15000.0 + 2.0 GHSERcu + GHSER Z n
G"(T) - ^- (298.15 ) 2.0 ^ h c p _ Z n ( 2 9 8 . 1 5 ) = G(Zn:Cu) =
15000.0 + GHSERcu + 2.0 GHSER 2 n
C(T) - 3.0 ^ h c p _ Z n ( 2 9 8 . 1 5 K) = G(Zn:Zn) = 15000.0 + 3.0 GHSER Z n
r 0,LaveC36 0,LaveeC36
J
Cu,Zn:Cu = I Cu,Zn:Zn = - 90226.26

1600 J I I I I I I I L

+ hcpZn

Cu Xzn -* Zn
Table I Invariant Reactions.

Reaction Type Compositions *Zn /K

Liquid + fcc,41 ^ bec-A l Peritectic .373 .319 .353 1175.3


Liquid + bcc,42 F* CuZn^ Peritectic .592 .558 .586 1108.3
Liquid + CuZn7 bcc,42 Peritectic .802 .678 .719 972.5
Liquid + bcc,42 * hcp,43 Peritectic .882 .773 .792 873.4
bec- * CuZn7 + hcp,43 Eutectoid .748 .693 .777 831.9
Liquid + hcp,43 *=* hcpZn Peritectic .983 .874 .981 694.4
System Cu-Zn 191

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

Cu-Zn (Cu) Cu cF4 M 4


PmZm

(Zn) Mg hP2 M 2
P6s/mmc

W cI2 M 2 bcc-,42
ImZm

' CsCl cP2 Cu 1 bcc-02


PmZm Zn 1

S CuZn2 hP3 Cu 1 assumed as


P6 Zn, 1 bcc-,42
Zn2 1

c Mg hP2 M 2
Pftjmmc CuZn-,43

7 Cu 5 Zn 8 c!52 Cu[ 8 Cu 5 Zn
I43m Cu 2 12
Zni 8
Zn2 24
192 Thermochemical Database for Light Metal Alloys

System CuZr

Solution Phases:
Liquid, bcc-,42, hcp-,43
Compounds:
Cu 5 Zr, Cu 5 iZrM, Cui 0 Zr 7 , CuZr, CuZr 2 , Cu 8 Zr 3
Modelling:

Liquid Substitutional, Redlich-Kister


Cu 5 Zr Stoichiometric, (Cu)s(Zr)
Ciir,iZri4 Stoichiometric, (Cu) 5 |(Zr)i4
Ciiio7,r7 Stoichiometric, (Cu)io(Zr)7
Cu 8 Zr 3 Stoichiometric, (Cu) 8 (Zr) 3
CiiZr Stoichiometric, (Cu)(Zr)
CuZrj Stoichiometric, (Cu)(Zr)?

Assessor and D a t e :
K. Zong, and M. Hmlinen 1993

Cu >Zr Zr
System Cu Zr 193

T h e r m o d y n a m i c p r o p e r t i e s of t h e solution a n d c o m p o u n d p h a s e s ( J . m o l ')

P h a s e bcc-,42
2
4u,ZrTo = -7381.13
Phase fcc-

/ruXo = 2233
P h a s e hepA3

rct& = 11336.85
P h a s e liquid
L c ^ = -61685.53 + 11.29235

.^'1 = - 8830.66 + 5.04565


Phase Cui0Zr7
f7(T)-10.0 /7Cu -' (298.15 K) - 7.0 H?cp~M (298.15 ) =
fcc 41

- 241750.0 + 10.0 GHSERcu + 7.0 GIISER Zr


Phase Cu5iZri4
<7(T) - 51.0 // c ;[ - (298.15 K) - 14.0 // Z r h c p _ '" (298.15 K) =
cc 41

- 843412.7 + 51.0 GHSERc,, + 14.0 GHSER Zr


Phase Cu5Zr
C(T) - 5.0 Hcicc'Al(298.15 K) - Ilcp-M (298.15 K) =
- 61794 + 5.0 GHSERcu + GHSER Zr
Phase Cu8Zr3
cc A1
C(T) - 8.0 Hc ~ (298.15 K) - 3.0 // Z ; h c p - / U (298.15 K) =
- 148063.1 + 8.0 GIISE Rcu + 3.0 GHSE R Zr
Phase CuZr
cc M cp Ai
C(T) - lli - (298.15 K) - If^ - (298.15 K) =
- 20104.24 - 7.63196 + GHSE Rc, + GHSE R Zr
Phase CuZr2
G(T) - tfc:'u - (298.15 K) - 2.0 II^cp-M(298.15
cc M
K) =
- 43904.01 + 5.19051 + GHSE Rc, + 2.0 GHSE R Z r
191 Thermochemical Database for Light Metal A lloys

Table I Invariant Reactions.

Reaction Type Compositions *Zr T/K

Liquid ^ fcc + Cu 5 Zr Eutectic .078 .001 .167 1240.8


Liquid + Cu5iZri4 ? CusZr Peritectic .107 .215 .167 1287.5
CiisiZrM ^ Liquid Congruent .215 .215 1386.0
Liquid + Cu 5 iZri4 ^ Cu8Zr3 Peritectic .388 .273 .215 1195.3
Liquid ^ Cu8Zr3 + Cu,oZr 7 Eutectic .408 .273 .412 1164.2
CujoZr7 =^ Liquid Congruent .412 .412 1164.2
Liquid ? CuioZr 7 + CuZr Eutectic .425 .412 .500 1163.2
CuZr ^ CuioZr 7 + CuZr 2 Eutectoid .500 .412 .667 976.7
Liquid ^ CuZr + CuZr2 Eutectic .538 .500 .667 1196.7
CuZr =* Liquid Congruent .500 .500 1208.5
Liquid ^ CuZr 2 + bcc,42 Eutectic .700 .666 .947 1269.5
CuZr2 =^ Liquid Congruent .666 .666 1275.0
bcc,42 ^ CuZr 2 + hcp,43 Eutectoid .975 .667 .992 1095.2

Table II C rystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

CuZr (Cu) Cu cF4 M 4


FmZm

(Zr) Mg hP2 M 2
P6i/mmc

(Zr) W cl2 M 4
ImZm

CuZr CICs cP2 M, 1 bccB2


PmSm M2 1

CuZr 2 MoS2 116 Cu 2


4/mmm Zr 4

Cu, 0 Zr 7 NioZr7 0C68


Aba2

CugZr2 IP24 0" in [91 Vil]


P4/m

CusZr AuBes CI24 Cu, 4


F43m Cu 2 16
Zr 4

Cu5,Zr M Ag5|Gd|4 hP65 hP68 in [91 Vil]


P6/m

Cu 8 Zr 3 CiieHfj oP44
Pnma
System Fe- Mg 195

System Fe-Mg

Solution Phases:
Liquid, fee-Al, bcc-,42, hcp-,43

Modelling:

Liquid Substitutional, Redlich-Kister


Tre-/Il Substitutional, Redlich-Kister
bcc-,42 Substitutional, Redlich-Kister
hrp-/13 Substitutional, Redlich-Kister

Assessor and Date:


J. Tibballs (1991)

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase bcc-,42

,0,bcc-/t2
''FfMi-.D 65700.0

Phase fcc-,41

rO.frc-
'Ke, Mg: O = 65200.0

Phase hcp-,43

O.hrp-AI
/. Ke,Mg:0 92400.0

Phase liquid

r 0,liquid
''Kt.Mg 61343.0 + 1.5

r 1 .liquid
''Kr-.Mg 2700.0
196 Thermochemical Database for Light Metal A lloys

2500 J I I L J L

2300
Liquid' + Liquid"
2100

1900

bcc,4 2
1700

4"
1500
ca fcc^1
L.
d) 1300
a.
E 1100 LlquW"_^

900

700 ^ . b c c ^ 2 hcpj4 3 _ ^

500 I 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.8 0.7 0.8 0.9 1.0

Fe ^Mfl Mg

Table I Invariant R e a c t i o n s .

Reaction Type Compositions iMg

Liquid' ^ bcc,42 + Liquid" Monotectic .018 .008 .987 1791.4


Liquid" + bcc,42 ^ fee/Il Degenerate .992 .005 .005 1661.6
Liquid" + bcc,42 ^ fcc,41 Degenerate .999 .001 .001 1183.4
Liquid" +bcc-A 1 r=* hcp,43 Degenerate 1.000 .000 1.000 922.9

leble II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol]


Space Group

FeMg (Fe) Cu cF4


PmZm

(Fe) W cI2
ImZm

(Mg) Mg hP2
P6/mmc
System Fe-Mn 197

System Fe-Mn

Solution Phases:
(stable) Liquid, bcc-,42, cbcc-,412, cub-,413, fcc-,41

Solution Phases:
(metastable) hcp-,43

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
bcc-,412 Substitutional, Redlich-Kister
cub-,413 Substitutional, Redlich-Kister
fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor and D a t e :
Scientific Group Thermodata Europe Database

Fe ^Mr\ Mn
198 Thermochemical Database for Light Metal A lloys

Thermodynamic properties of the solution phases (J.mol 1 )

Phase bcc,42

I<to5h = 2759 + 1.237

TiU.bcc A2 1 OQ
i
r.Fr,Mu:0

^O.mag.brc A2 r.
u
r'Ke.MntO

Phase cbccA12

^MnTo4'2 = 10184
Phase cub,413

^FrM.o3 = - 11518 + 2.819


Phase fccAl

'' = - 7762 + 3.865


IJcc-Al _ 91
'', 0M

Tci = "2282

rlSni = -2068
r}0,mag,fcc^l _ n

/'Ke,Mn:Q ~

Phase liquid

/"'Fe,MUd = 3950
+ 48 9 T

1,liquid r
''Fr.Mn = 1145
Phase hep A3

A
/ 'Ke.Mn 1
= 5582 + 3.865
rl.hrp,4.1 n

''Ke.Mn ' 0
System Fe-Mn 199

Table I Invariant Reactions.

Reaction Type Compositions Mn

rub,413 ^ fcc,41 + cbcc/112 Eutectoid .681 .606 .690 973.2


fcc,41 ? i bcc,42 + cbcc,412 Eutectoid .436 .033 .659 521.3
Liquid + bcc,42 ^ fee-A l Peritectic .100 .129 .129 1746.8
Liquid + bcc,42 ^ fcc,41 Peritectic .867 .877 .875 1507.2

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Comments


Space Group

FeMn (Fe) Cu cF4


PmZm

(Fe) W eil
ImZm

oMn c58 cbcc,412


/43m

/?Mn - cP20 cub,413


P4,32

7Mn Cu cF4
FmZm

Mn W ell
ImZm
200 Thermochemical Database for Light Metal A lloys

System FeSi

Solution Phases:
Liquid, bcc,42, bccB2, fcc-A l

Compounds:
Fe5S3, FeSi, Fe 2 Si, FeS2L, FeS2H
Modelling:

Liquid Substitutional, RedlichKister


fcc,41 Substitutional, RedlichKister
LCC/92 Sublattice model , (Fe,Si)o.5(Fe,Si)o.5(^)3
Two descriptions of the bcc-A 2:bcc-B2 orderdisorder
transformation are given: one which includes the
parameters of the order and disordered phases in a single
description (equation 21 in the thermodynamic
modelling chapter), and a second one where the order
and disorder contributions are expressed by equation 23.
For the second case, the parameters are in a frame.
bcc,42 see bcci? 2
Fc2Si Stoichiometric, (Fe) 2 (Si)
Fe 5 Si 3 Stoichiometric, (Fe)s(Si)3
FoSijL Stoichiometric, (Fe)(Si) 2
FeSijTI Stoichiometric, (Fe) 3 (Si)7
FcSi Stoichiometric, (Fe)(Si)

Assessor and D a t e :
J. Lacaze, and B. Sundman
Publication:
Met. Trans., 22A, (10), 22112223 (1991).

T h e r m o d y n a m i c p r o p e r t i e s of t h e solution and c o m p o u n d p h a s e s (J.mol ')

P h a s e Fe 2 Si
cc A 2 fMn
C(T) - 2.0 H^ - ' (298A 5 K) Hf'"uno'">(298.15 K) =
71256.6 10.62 + 2.0 GHSERpe + GIISER s i
System Fe-Si 201

P h a s e Fe 5 Si 3

C(T) - 5.0 tfF;bcc42,para(298.15 K) 3.0 tfs'diamnd(298.15 K) =

2 4 1 1 4 4 + 2 . 1 6 + 5.0 GHSER Fe + 3.0 GHSER S

P h a s e FeSi 2 L

C(T) - tfF;bcc42'para(298.15 K) 2.0 #s; diarnond (298.15 K) =

82149.0 + 10.44 + GHSER Fe + 2.0 GHSER si

P h a s e FeSi 2 H

C(T) - 3.0 // F ; bcc_/12 ' parB (298.15 K) 7.0 //s dismond (298.15 K) =

196490 9.2 + 3.0 GHSER Fe + 7.0 GHSERsi

P h a s e FeSi

C(T) - tfF;bcc42'para(298.15 K) tfs;diamond(298.15 K) =


72761.2 + 4.44 + GHSER Fe + GHSER s i
P h a s e liquid

LWiqU,d = _ 16 4434 g + 41.9773


uid
L^. = 21.523
L2p^fd = - 18821.542 + 22.07

jUlquid _ 9 6 9 5 8

Phase fccAl

4^ s c .7 n A1 = 125247.7 + 41.166

f< c A1
L'' .
^Fe,Si:G
= 142707.6

Li'%-^
^Fe,Si:D = 89907.3
Phase bcc2

C(T) - tfF;bcc_yl2'para(298.15 K) = G(Fe:Fe:D) = GHSER Fe


f = 1043 ^- = 2.22
bcc_>l2 para
C(T) - 0.5 // F ; ' (298.15 K) - 0.5 //|; diamond (298.15 K) = G(Fe:Si:0)
-48761.565 + 11.62 + 0.5 GHSER Fe + 0.5 GBCC s i
rpO,bec-B2 _ W 1 nO,bcc-B2 _ 11
i
c,Fe:Sa OZ1.0 Pc,Si:FeQ 1.11
202 Thermochemical Database for Light Metal A lloys

G"(T) - 0.5 // F ^ cc 42 ' para (298.15 K) 0.5 //s;diamond(298.15 K) = G(Si:Fe:D) =


48761.565 + 11.62 + 0.5 GHSERFc + 0.5 GBCCSi
O,bccB2 coi c ,jO,bccB2 ii
Tc,Si:FeO = 521.5 Pc,SI:Fe : a = 1H
>!mond
G"(T) - Hf (298.15 ) = G(Si:Si:) = GBCCS
*3*5 = S = 50771 + 11.62
rl,bccB2 rl,bccB2 ACilR
L 4 U
'Fe,ShFc:a ^Fe:Fe,SI:D 1

r2,bccB2 i2,bccB2 oodCl


^Fe,Si:Fe:0 ^Fe:Fe,Si:D U

FS = siSn = 18493 + 11.62 T


rl,bccB2 rl,bccB2 0 7 1
^Fe,Si:Si:D ^SiiFe.ShD ~ ' W

r2,bccB2 r2,bccB2
^Fe.ShSiiQ ^SiFe.SirG 3yu

Felino = 93360
rriO,bccB2 rpO,bcc-B2 1 0 Q
i y
IcFe.SitFetD c,Fe:Fe,S:0

Ti l , b c c B 2 Til,bccB2 co
D J
c,Fe,Si:Fe:a " c,Fe:Fe,Si:0

Ti 0 , b c c B 2 ^iO,bccB2 , 0 Q
_ _ l a
c,Fe,Si:Si:D c,Si:Fe,Si:D

Ti l , b c c B 2 Til,bccB2 fiq
l
c,Fe,Si:Si:D c,Si:Fe,Si:0

GF(..s.a = 1260 R (R= 8.31451)


L
Fe s, = 27 809 + 11.62 T
Z,Fe,si = 11544
4e,S = 3890
Phase bcc2

G(T) // F ^ cc /12 ' para (298.15 K) = G(Fe:Fe:D) = 0.0

G(T) 0.5 tfF;bcc'42'para(298.15 K) 0.5 tf|;diamond(298.15 K) = G(Fe:Si:D) = 2.0 GF(!:Si:D

G(T) 0.5 H F ^ cc_ ' 42,para (298.15 K) 0.5 #|' diam nd (298.15 K) = G(Si:Fe:D) == 2 0 GYC,S\:0

G(T) - #|; diamond (298.15 K) = G(Si:Si:D) = 0.0

Phase bcc,42

iO.bcc,42 . rO
n
qK)
^Fe,Si:D ^Fe.SI
r l.bcc A2 Q rl
^Fe.ShO ^Fe.SI
ml,bec Al co
t C,Fe,SI:Q 0

j 2,bcc-A2 _ fi n J 2
^Fe.Si:" i D u ^Fe.SI
System Fe-Si 203

Fe Si

Table I - Invariant Reactions.

Reaction Type Compositions xsi Temp. /

Liquid ^ bcc-B2 + Fe2Si Eutectic .273 .267 .333 1470.6


Fe2Si ^ bcc-B2 + Fe5Si3 Eutectoid .333 .299 .375 1322.8
Fe 5 Si 3 bee-BI + FeSi Eutectoid .375 .298 .500 1097.8
Fe2Si + FeSi ^ Fe 5 Si 3 Peritectoid .333 .500 .375 1364.4
Liquid ^ Fe2Si + FeSi Eutectic .357 .333 .500 1475.8
Liquid ^ FeSi + FeSi2-H Eutectic .672 .500 .700 1477.2
FeSi + FeSi2-H ^ FeSi2-L Peritectoid .500 .700 .666 1275.7
FeSi2-H # FeSi2-L + (Si) Eutectoid .700 .667 1.000 1232.9
Liquid ^ FeSi2-H + (Si) Eutectic .725 .700 1.000 1478.3
Fe2Si ^ Liquid Congruent .333 .333 1488.0
FeSi =* Liquid Congruent .500 .500 1683.0
FeSi2-H ^ Liquid Congruent .700 .700 1482.0
204 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space G roup lattices

Fe-Si (Fe) Cu cF4


Pnm

(Fe) W el2
ImZm

(Si) diamond cFS


F<m

FeSi 2 -I, IPZ Fe 1


P4/mmm Si 2

FeSi 2 -H oC4S Fe, 8


Cmca Fej 8
Si, 8
Si2 16

Fe2Si hP6 Fe, 1


PZml Fej 1
Fe 3 2
Si 2

FeSi cPS Fe 4
PliZ Si 4

Fe 5 Si 3 hPl6 Fe, 4
P63/ mmc Fe2 6
Si 6

bcc-J52 CsCl cPI al in [90Mas]


FmZm
System Fe-Ti 205

System FeTi

Solution Phases:
Liquid, bcc,42, fcc,41, hcp,43

Compounds:
FeTi, LavesC14
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc-,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Laves C14 Sublattice model, (Fe,Ti) 2 (Fe,Ti)
FrTi Sublattice model, (Fe,Ti)(Fc,Ti)

Assessor and D a t e :
M.H. Rand 1995

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase FeTi
cc A 2pnr
C(T) - ir - *(298.]5 K) //; hcp /13 (298.15 K) =
51584.05 + 238.686 44.858 InT 0.008493 2 + 100500 " 1
Phase L a v e s C l 4
bcc 3para
C(T) - 3.0 // F e " (298.15 K) = G(Fe:Fe) = 15000.0 + 3.0 GIISFR F e
C(T) - 2.0 tfFe ' ' (298.15 K) H^cp~A 3(298.15
bcc ,3 para
K) = G(Fe:Ti) =
1440.0 6.75 + 2.0 GHSER Fc + GHSER Ti
C(T) - // K c b c c ' U p a r a (298.15 K) 2.0 //: h c p 4 3 (298.15 K) = G(Ti:Fe) =
15000.0 + GIISER Fc + 2.0 GHSER Ti
C(T) - 3.0 H^cp~A 3(298.15 ) = G(Ti:Ti) =
15000 + 3.0 GHSERT
rO,I^veC14 0,LaveCH
= /,T:Fe,Ti 60000

r O.I.avenCH 0,LavesCM
'le.'l'irFe /. Fe,T:T = 60000
206 Thermochemical Database for Light Metal A lloys

Phase liquid

/$"'d = - 62273.8 + 5.6939

4$Vid = 5491.468

Phase fcc-Al

Feho' = 42000

Phase hep A3

Lp^P 43 = 18500 15

Phase becA2
L^j-aA2 = - 52400.65 + 10.7268

*\72 = - 7442 + 0.41968

J I I I I I I L

hcp-A 3 *

400 1 1 1 1 1 1 1 1
0.1 0.2 0.3 0.4 0.6 0.6 0.7 0.8 0.8 1.0

Fe Ti
System Fe-Ti 207

Table I - Invariant Reactions.

Reaction Type Compositions \

Liquid ^ FeTi" + bcc-,42 Eutectic ,712 .500 .772 1349.3


bcc-,42 =* FeTi* + hcp-,43 Eutectoid .877 .500 .999 849.4
Liquid + Laves-CM ^ FeTi* Peritectic .506 .334 .500 1593.4
Laves-CM ^ bcc-,42 Congruent .333 .333 1707.0
Liquid 5=^ bce-AI + Laves-C14 Eutectic .152 .099 0.267 1564.4

FeTi = bcc-B1

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Comments


Space Group

Fe-Ti (Fe) Cu cF4


PmZm

(Fe) W cI2
ImZm

(Ti) Mg hP2
P&i/mmc

(Ti) W cI2
ImZm

FeTi CsCl cP2 bcc-Z?2


PmZm

Fe2Ti MgZnj hP12 Laves-C14


P&/mme
208 Thermochemical Database for Light Metal Alloys

System Hf-Ti

Solution P h a s e s :
(stable) Liquid, bcc-,42, hcp-,43
(metastable) fcc-

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor and D a t e :
H. Bitterman, Univ. Wien, Austria, 1997

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

P h a s e liquid

L ^ " = -4993.5-7.10316

Phase fcc-Al

L^J-.o = l-OE -4

Phase hcp-,43

L
W7T77D3 = 13644 - 10.6383

P h a s e bcc-,42

L
wxo2 = 3003.24 -7.4114
System Uf-Ti 209

hep-A 3
800-

600 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.8 1.0

Hf XT, - Ti

Table I - Invariant Reactions.

Reaction Type Compositions /

hcp-,43 ^ bcc-,42 Congruent .224 .224 1063.3


bcc-,42 ^ Liquid Congruent .120 .120 1296.0

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Comments


Space Group

Ilf-Ti (Hf) Mg hP2


P63/mmc

(Hf) W cI2
ImZm

(Ti) Mg hP2
P&i/mmc

(Ti) W el2
ImZm
210 Thermochemical Database for Light Metal A lloys

System LiMg

Solution Phases:
(stable) Liquid, bcc,42, hcp,43
(metastable) fcc,41

Compounds:
(metastable) Ali 2 Mg,7, AlLi

Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Al|2Mgi7 Sublattice model, (Li,Mg) 2 4(Li,Mg), 0 (Mg) 2 4
AlLi Sublattice model,(Li,Mg)(Li,Mg,0)

Assessor and Date:


N. Saunders, 1991
Comments:
The models describing the metastable phases
are compatible with the ones used in the AlMg
system(Version I).

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase bcc,42

O.bcc,42
,i,Mg:0 18335 + 8.49

1,bcc,42
i,Mg:G 3481

2,bcc-A2
A.Mf.O 2658 0.114
.System Li Mg 211

Phase feeAl

/UM:G = 6856.0
Phase hcp,43

" = -6856.0

'S-3 = 4000.0

'K1 = 4000.0
Phase liquid

]/193 5 10 371 T
' = - +

I'IAMT - - 1789 + 1.143

'-u.Mg'1 = 6533 -6.6915

Phase Al, 2 Mg, 7

C(T) - 34.0 ///"" 42 (298.15 ) - 24.0 //^<:"'43(298.15 ) = G(Li:Li:Mg)


'290000 + 34.0 GIISERu + 24.0 GIISFRMg
C () - 10.0 Hlp-A3 (298.15 ) - 48.0 //Lbcc"'42(298.15 ) = G(Li:Li:Mg)
290000 + 10.0 GIISERu + 48.0 GHSF,RMg
C(T) - 24.0 ^~3 (298.15 K) 34.0 tfu,bcc'"(298.15 K) = G(Li:I,i:Mg)
290000 + 24.0 GIISERu + 34.0 GHSER.Mg
C(T) - 58.0 Htfcc-A 2(298.15 K) = G(Mg:Mg:Mg) = 0.0

Phase AlLi

C(T) - 2.0 //1'bcc"'42(298.15 K) = G(Li:L) =


2.0 GIISERu
C(T) - H^cc-A 2(298.15 K) H^cp-A 3(298.15 K) = G(Li:Mg) =
9168 + 4.2 + GHSERLI + GBCCMg
C(T) - i^CC-A 2(298.15 K) ^~3(298.15 ) = G(Mg:Li) =
9168 + 4.2 + GHSERLI + GBCCMg
C(T) - 2.0 H^cp-A 3(298A 5 K) = G(Mg:Mg) = 0.0
C(T) - Iffcc-A 2(298.15 K) H^cp-A 3(298.15 K) = G(Li:D) =
50000 + GHSERc
C(T) - 11^-^(298.15 K) = G(Mg:) = 0.0
212 Thermochemical Database for Light Metal Alloys

1000- J I I I I I L

900-

Li ^Mg Mg
Table I - Invariant Reactions.

Reaction Type Compositions /

Liquid ^ bcc-,42 + hcp-,43 Eutectic .774 .760 .834 865.2


Liquid ^ bcc-,42 Congurent .727 .727 867.4

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Li-Mg (Li) W cI2


ImZm

(Mg) Mg hP2
Pfa/mmc
System Li-Zr 213

System Li-Zr

Solution Phases:
(stable) Liquid, bcc-,42, hcp-,43
(metastable) fcc-,41

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-/12 Substitutional, Redlich-Kister
fee- Al Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor and D a t e :
N. Saunders, 1991

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase bcc-,42

r0,bee-A7
'I.i,Zr:D = 100000

Phase fcc-,41

r0.frc-.41
''U.Zr.a = 100000

Phase hcp-,43

rO.hcp-,43
'., 100000

Phase liquid

r 0.liquid
''U.Zr = 100000
214 Thermochemical Database for Light Metal Alloys

3000+, 1 " 1 1 1 1 " " L

Uqulcf + Liquid "


2600-

2000-
5
+>
CD
i_
bcc-yl 2
Q_ 1500-
E

1000-
Liquid' hcp-yi 3 "

600
1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 . 0.7 0.8 0.9 1.0

Li Zr Zr

T a b l e I Invariant R e a c t i o n s .

Reaction Type Compositions xzr T/K

hcp,43 ^ bcc,42 Allotropie 1.000 1.000 1139.45


Liquid" # Liquid' + bcc,42 Monotectic .996 .003 .998 2124.9
Liquid' ^ bcc,42 + hcp,43 Degenerate .000 .000 1.000 453.6

T^ble II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol


Space Group

LiZr (Li) W cl2


ImZm

(Zr) Mg hP2
PGa/mmc

(Zr) W cI2
ImZm
System Mg-Mn 215

System M g M n

Solution Phases:
Liquid, bcc,42, hcp,43, cbcc,412, cubA13, fcc,41
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
bcc,412 Substitutional, RedlichKister
ctibA13 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister

Assessor and D a t e :
J. Tibballs 1991

J I I I I I I A
1900-
Liquid' + Liquid"
1700-

^ 1600- DCC-.A 2


5 1300-
co cub-A 13
_

Q, 1100-
E

_ 900-
hcp,4 3 cbccyt 12
700-

BOO I 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.8 0.7 0.8 0.9 1.0

Mg ^Mn Mn
210 Thermochemical Database for Light. Metal A lloys

Thermodynamic properties of the solution phases (J.mol ')

Phase bccA2

C M ^ = 70000.0

Phase cbccA12

fiXi2 = 70000.0

Phase cub,413

Clfv = 70000.0

Phase fcc,41

SES?' = 70000.0
Phase hep A3

= 32985.0 + 2.5

Phase liquid

' n = 19125.0 + 12.5


System Mg-Mn 217

Table I Invariant R e a c t i o n s .

Reaction Type Compositions *Mn K

Liquid' f cbcc,412 ? * hcp,43 Peritectic .008 1.000 .009 923.8


cub,413 =* Liquid' + cbcc,412 Metatectic .999 .012 1.000 980.5
fcc,41 ? =* Liquid' + cub,413 Metatectic .999 .048 1.000 1351.7
bcc-A2 # Liquid' + fcczl 1 Metatectic .998 .057 .999 1409.6
Liquid" ^ Liquid' + bcc-A I Monotectic .937 .063 .998 1447.0

Table II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Comments


Space Group

MgMn (Mg) Mg hPI


P&s/mmc

c58 cbcc,412
/43m

/3Mn /3Mn cP20 cub,413


/M, 323m

7Mn Cu cF4
FmZm

Mn W c/2
/m3m
218 Thermochemical Database for Light Metal A lloys

System M g N i

Solution Phases:
Liquid, fcc,41
Compounds:
Mg 2 Ni, LavesC36
Modelling:

Liquid Substitutional, RedlichKister


tec-Al Substitutional, RedlichKister
Mg 2 Ni Stoichiometric, (Mg) 2 (Ni)
LavesC36 Sublattice model, (Mg,Ni) 2 (Mg,Ni)

Comments:
M. Jacobs assumed the LavesC36 phase to be
stoichiometric. The thermodynamic description of
that phase was modified and is now consistent with
the one in the database.
Assessor and D a t e :
M. Jacobs September 1991 (LavesC36 modified by
I. Ansara December 1997).

T h e r m o d y n a m i c properties of t h e solution and c o m p o u n d phases (J.mol ')

P h a s e bcc,42
0,bcc/t
/. M g , N i : 0 2 = 80

P h a s e fcc,41

rO.fecAl Q(\ T>


^Mg,N:a Ol) 1

P h a s e hcp,43
rO.hcp A3
L
Mg,Ni:C = 80
System Mg-Ni 219

Phase liquid
,liquid
'"Mg,Ni - 42304.49 + 7.45704
r I .liquid
''Mg.NI - 15611.66 + 9.11885

Phase Laves-C36
rO.hcp A3(
G(T) - 3.0 //M,grp-/1J(298.15 K) = C(Mg:Mg) =
15000.0 + GHSF,RMg
C(T) - Il^gcp-A3(298.15 K) - 2.0 [{^"-" (298.15 ) =
-74136.0 + 293.9216 - 54.35385 - - 0.03329235 2
+ 5.14203F, 06 3 - 99.0 '1
hcp 43
C(T) - 2.0 /^ "' (298.15 ) - / * * - * ' - (298.15 ) =
104136.0 - 293.9216 + 54.35385 + 0.03329235 2
- 5.14203R-06 3 + 99.0 " 1
(7() - 3.0 Hcc-A liPm (298.15 ) = G(Ni:Ni) =
15000.0 + CHSERNI
r ,LavesC3f f O,LaveC36
'Mg,Ni:Mg = LMg,Ni:N = 50000
r 0,I,vrsC36 0,L*veC36A
'Mg:Mg,Ni = iNi:Mg,Ni = 50000

Phase Mg 2 Ni

C(T) - 2.0 Illp-A 3(298.15 K) f^-A i-f""* (298.15 K)


82211.0 + 571.0183 95.992

Table I Invariant Reactions.

Reaction Type Compositions Xf, /

Liquid ^ LavesC36 + fec-A \ Eutectic .802 .666 1.000 1366.6


Liquid ^ MgNi2 Congruent .666 .666 1420.(1
Liquid + Mg2Ni ? LavesC36 Peritectic .278 .666 .333 1032.2
Liquid ;=* + hcp/13 Mg2Ni Eutectic .101 .000 .333 780.0
220 Thermochemical Database for Light Metal A lloys

J I I I I I I L
1750

1600

fcc,41

750

hcpA3

500 1 1 r^ 1 1 1 ~1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Mg Ni

Table II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

MgNi (Mg) Mg hP2 M 2


P6a/mmc

(Ni) Cu cF4 M 4
FmZm

MgNij MgNi2 hP24 Mg, 4


P6/mmc Mg 4
Ni, 4
Ni2 6
Nia 6

Mg2N MgjNi hP18 Mg, 6 in Mas2, Mg-..Ni


622 Mg2 6 related to AI 2 Cu-C16
Ni, 3 type according
Ni2 3 to [OOMas]
System Mg-Si 221

System MgSi

Solution Phases:
(stable) Liquid, hcp,43
(metastable) fee A l

Compound:
(stable) Mg2Si
(metastable) LavesC15

Modelling:

Liquid Substitutional, RedlichKister


hcp,43 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
Mg2Si Stoichiometric, (Mg) 2 (Si)
LavesC15 Sublattice model, (Mg,Si) 2 (Mg,Si

Publication:
IL Heufel, T. Gdecke, H.L. Lukas, and F. Sommer,
J. Alloys and Comp., 247, (12), 3142 (1997).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases ( J . m o l 1 )

Phase liquid
r 0,liquid
' J MgSi 83864.26 + 32.44438

r 1 .liquid
'-Mg.Si 18027.41 19.61202

r 2,liquid
''Mg.Si 2486.67 0.31084

r 3,liquid
'Mg.Si 18541.17 2.317664

r 4,liquid
'"Mg.Si 12338.84 + 1.54236

Phase hcp,43
r 0,hcp-^3
L
Mg,Si:D 7148.79 + 0.89361
999 Thermochemical Database for Light Metal A lloys

Phase feeAl

rO,fcc/U
'Mg,Si:D 7148.79 + 0.89361

Phase Mg2Si

ro,hcp,43, ooe K I M _
C(T) 2.0 - (2985 ) //r^o.diamond
s
(298.15 K)

92250.0+440.4 75.9 InT 0.0018 2 + 630000 T"

Phase LavesC 15

C7(T)2.0 //M'grp_/I3(298.15 ) ffsdiamond (298.15 ) = G(Mg:Si) =


104970.96 16.46448 +2.0 GHSF.RMg + GHSERSi
G"(T) - II^hgcp-A 3(298.15 K) 2.0 // ; d i ~ n o n d (298.15 K) = G(Si:Mg) =
41039.0 + 6.25 + GHSERMg + 2.0 GHSERsi
'"MS5 = 15000.0
r O.Luvenclfi
'M g ,Si:Si 15000.0
B
$ = 8000.0

'T 5 = 80000

J I I I I I I L

1900

1700

hcp,4 3
700

500 1 r^ 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 . 0.7 0.8 0.9 1.0

Mg -* Si
System Mg-Si 223

Table I - Invariant Reactions.

Reaction Type Compositions xs, T/K

Liquid ? hcp-,43 + Mg2Si Eutectic .013 .000 .333 911.8


Liquid ?* Mg2Si + diamond Eutectic .530 .333 1.000 1214.4
Mg2Si t=* Liquid Congruent .333 .333 1350.0

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Mg-Si (Mg) Mg hPI M 2


P&i/mmc

(Si) diamond cF8 M 8


FdZm

Mg2Si CaF 2 cF\1 Mg 8


FmZm Si 4
224 Thermochemical Database for Light Metal Alloys

System M g - Y

Solution Phases:
Liquid, bcc-,42, hep-A3
Compounds:
MgY, Mg 24 Y 5 , Mg 2 Y
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-A2 Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
MgY Stoichiometric, (Mg)(Y)
Mg 2 Y Stoichiometric, (Mg) 2 (Y)
Mg 2 Y 5 Sublattice model, (Mg) 24 (Mg,Y) 5

A s s e s s o r and D a t e :
H.L. Lukas, 1991

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase bcc-,42
rO,bcc-,42
/y
Mg,Y:a - 38570.0 + 15.0

rl,bcc-,42
L
Mg,Y:0 - 8204.21

P h a s e hep A3
rO,bcp-A3
- 16582.94 + 4.77482

r 1,hep-.43
^,:0 - 7077.87

Phase liquid
r O.liquid
"Mg,Y - 25802.51 + 4.30042
1 .liquid
''Mg, Y 19229.76 + 3.20497
System Mg-Y 225

Phase fcc-Al

fJ^A' = 0.0001

Phase Mg 24 Y 5

C(T) - 24.0 11^^^(298.15 K) - 5.0 ffY'hcp_y,3(298.15 K) = G(Mg:Y) =


- 227282.28 + 36.52985 T + 24.0 GHSF,RMg + 5.0 GIISFRY

Phase Mg 2 Y

C(T) - 2.0 //^ cp - 43 (298.15 K) - HyMcp-A3(298.15 K) = G(Mg:Y) =


- 39075.78 + 6.51258 T + 2.0 GHSF,RMg + GHSF,RY
Phase MgY

C(T) - /Cg ( 2 9 8 - 1 5 K') - ff


Y (298.15 K) = G(Mg:Y) =
- 32162.76 + 8.0 T + GHSERMg + GHSERy

1750-

Mg -
226 Thermochemical Database for Light Metal Alloys

Table I - Invariant Reactions.

Reaction Type Composition! Xy T/K

Liquid + bcc-,42 ? MgY Peritectic .466 .588 .494 1213.3


Liquid + MgY ? Mg2Y Peritectic .276 .474 .333 1058.5
Liquid+ Mg2Y Mg2<Y5 Peritectic .146 .333 .163 889.4
Liquid ^ hcp-/13 + Mg^Ys Eutectic .082 .042 .136 847.6
bcc-A2 ^ MgY + hcp-,43 Eutectoid .717 .499 .841 1048.0

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Mg-Y (Mg) Mg hPI M 2


P63/ mmc

(Y) W ell M 4
ImZm

(Y) Mg hPI M 2
Pf>a/mmc

Mg 2 4 + X Y 5 -Mn c/58 M 2 cbcc-,412


/43m Mg, 24 designated as
Mg2 24 Mg2Y5
Y 8

Mg2Y MgZn2 12 Mg, 2


Ks/mmc Mgj 6

Mg,+rY CsCI cPI Mg 1 bcc-B2


PmZm Y 1 designated as MgY
System Mg-Zn 227

System Mg-Zn

Solution Phases:
(stable) : Liquid, hcp-Zn, Laves-C14
(metastable) : bcc-,42, bcc-B2, fcc-,41, hcp-,43

Compounds:
(stable) Mg 2 Zn n , MgZn, Mg 2 Zn 3 , Mg 5 iZn 20
(metastable) : AlMg-/?, AlMg-e, AlMg-7, AlMgZn-
(metastable) : Laves-C15, Laves-C36

Modelling:

Liquid Substitutional, Redlich-Kister


hcp-Zn Substitutional, Redlich-Kister
bcc-,42 see below
bcc-/?2 Sublattice model, (Mg,Zn)o.s(Mg,Zn) 0 .5(0)3
Two descriptions of the bcc-,42:bcc-/?2 order-disorder
transformation are given: one which includes the
parameters of the order and disordered phases in a single
description (equation 21 in the thermodynamic
modelling chapter), and a second one where the order
and disorder contributions are expressed by equation 23.
For the second case, the parameters are in a frame.
fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
Mg 2 Zn n Stoichiometric, (Mg) 2 (Zn)n
MgZn Stoichiometric, (Mg) 1 2 (Zn), 3
Mg 2 Zn 3 Stoichiometric, (Mg) 2 (Zn) 3
Mg 5 ,Zn 20 Stoichiometric, (Mg) 51 (Zn) 20
AlMgZn-^ Stoichiometric, (Mg) 6 (Zn) 5
AMg- Stoichiometric, (Mg)g9(Zn)io4
AlMg-e Stoichiometric, (Mg) 23 (Zn) 30
AlMg-7 Sublattice model, (Mg) 5 (Mg,Zn), 2 (Mg,Zn)i 2
Laves-C14 Sublattice model, (Mg,Zn) 2 (Mg,Zn)
Laves-C15 Sublattice model, (Mg,Zn)2(Mg,Z,n)
Laves-C36 Sublattice model, (Mg,Zn) 2 (Mg,Zn)
228 Thermochemical Database for Light Metal Alloys

Assessor and D a t e :
R. Agarwal, S.G. Fries, H.L. Lukas, G. Petzow,
F. Sommer, T.G. Chart, G. E ffenberg
Publication:
. fr Metallkde., 83, 4, 216-223 (1992).
Comments:
A rvaluation was performed in order to take into
account the non-stoichiometry of the Laves-(714 phase.

Mg "Zn Zn

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase fcc-,41

O.fcc-,41 _
/. Mg,Zn:0 3056.82 + 5.63801

l.Ire-Al
-Mg,Zn:G 3127.26 + 5.65563
System Mg-Zn 229

Phase h c p Z n

^MgXa" = 3056.82 + 5.63801

I'M7,7jn = - 3127.26 + 5.65563

Phase hcp,43

^MgXT:a' = 3056.82 + 5.63801

fMgXo3 = 3127.26 + 5.65563

Phase liquid

'Mg7Un' = 77729.24 + 680.52266 95.0 InT + 0.04 2

f'MgqzUnH = 3674.72 + 0.57139

'2MgqznH = 1588.15

P h a s e AlMg/?

C(T) - 89.0 H^cp-A 3(298A 5 K) 104.0 W^ hcp_Zn (298.15 K) =


206100 + 89.0 GHSER Mg + 104.0 GHSER Zn

Phase AlMge

C(T) - 23.0 H^cp-A 3 (298.15 K) 30.0 /7 z ' n hcp Zn (298.15 K) =


318000 + 63.6 + 23.0 GHSER Mg + 30.0 GHSF,R Zn

P h a s e AlMg

C(T) - 17.0 / ^ 3 (298.15 ) 12.0 / r /^ hcp_Zn (298.15 ) = G(Mg:Mg:Zn) =


145000 + 58 + 17.0 GHSER M g + 12.0 GIISER Z
C(T) - 17.0 //Mg rp_ ' 43 (298.15 K) 12.0 /7^ hcp_Zn (298.15 K) = G(Mg:Zn:Mg) =
87000 + 29 + 17.0 GHSER Mg + 12.0 GHSER Zn
C(T) - 5.0 H^P~A 3 (298.15 ) 24.0 //^ h c p Z n (298.15 ) = G(Mg:Zn:Zn) =
290000.0 + 5.0 GHSER Mg + 24.0 GIISER Zn
rO,AiMg7 _ ro,AiMgr _ 11finnn j=;<?
'-Mg:Mg.Zn:Mg - ^Mg.Mg.ZntZn ~ ~ UOUUU + OB 1
230 Thermochemical Database for Light Metal A lloys

Phase Mg 5 iZn 20

G"() - 51.0 H^hgcp-A3 (298.15 ) 20.0 //^ hcp_Zn (298.15 ) =


335741.54 + 35.5 + 51.0 GHSERMg + 20.0 GHSERZn

Phase MgZn

C(T) - 12.0 H^gcp-A3 (298.15 K) 13.0 //^ hcp_Zn (298.15 K) =


236980.84 + 59.24524 + 12.0 GHSERMg + 13.0 GHSERZn

Phase Mg 2 Zn 3

G(T) - 2.0 ^~3(298.15 K) 3.0 H^cp~Zn (298.15 K) =


54406.20 + 13.60156 + 2.0 GHSERMg + 3.0 GHSERZn

Phase Mg 2 Zn,i

C(T) - 2.0 H^cp-A 3 (298.15 ) 11.0 H^cp~2n (298.15 ) =


73818.32 + 18.45457 + 2.0 GHSERMg + 11.0 GHSERZn

Phase AlMgZni

C(T) - 6.0 H^gp~A 3 (298.15 K) 5.0 ^ h c p _ Z n (298.15 K) =


79530 + 20.9 + 6.0 GHSERMg + 5.0 GHSF,RZn

Phase LavesC l4

G"(T) - 3.0 ^~3 (298.15 K) = G(Mg:Mg) = 15000.0 + 3.0 GHSERMg


G"(T) - 2.0 H$cp~A3 (298.15 K) ffz;,hcpZn(298.15 K) = G(Mg:Zn) =
65355.45 8.83886 + 2.0 GHSERMg + GHSERZn
G(T) - //Mgcp"'43(298.15 K) 2.0 //^ hcp_Zn (298.15 K) = G(Zn:Mg) =
35355.45 + 8.83886 + GHSERMg + 2.0 GHSERZn
G"(T) - 3.0 ^ h c p _ Z n (298.15 K) = G(Zn:Zn) = 15000.0 + 3.0 GHSERZn
0,LavesC14 r0,LavesCl4 *(\(\
Mg,Zn:Mg ~ ^Mg.ZniZn ~ OOUUU.U

,ZnU = C ^ C 1 4
= 8000.0
System Mg-Zn 231

Phase Laves-C15

C(T) - 3.0 H^cp-A3(298.15 K) = G(Mg:Mg) = 15000.0 + 3.0 GHSERMg


cp_/13
C(T) - 2.0 tfM' (298.15 K) - tfz;,h<:p-Zn(298.15 K) = G(Mg:Zn) =
55355.45 - S.83886 + 2.0 GHSERMg + GHSERZn
C(T) - Hltp-A3
p -(298.15
. K) - 2.0 H^cp~Zn (298.15 K) = G(Zn:Mg)
Mg
25355.45 + 8.83886 + GHSERMg + 2.0 GHSERZn
C(T) - 3.0 ^ h c p _ Z n (298.15 K) = G(Zn:Zn) = 15000.0 + 3.0 GHSERZn
O,LavesC15 r 0,LavesC15 ocnnn
L L
Mg,Zn:Mg = Mg,Zn:Zn = 35000.0

LO,LavesC15 O.Laves C15 onnn


Mg:Mg,Zn = ^Zn:Mg,Zn = UUU.U

Phase Laves-C36

C(T) - 3.0 //M'gcp_y,3(298.15 K) = G(Mg:Mg) = 15000.0 + 3.0 GHSERMg


C(T) - 2.0 H$,cp~A3(298.15 K) - //^ hcp-Zn (298.15 K) = G(Mg:Zn) =
65355.45 - 8.83886 + 2.0 GHSERMg + GHSERZn
C(T) - H^gcp-A3(298.15 K) - 2.0 ^ h c p _ Z n (298.15 K) = G(Zn:Mg) =
-35355.45 + 8.83886 + GHSERMg + 2.0 GHSERZn
G(T) - 3.0 //zrTCP_Zn(298.15 K) = G(Zn:Zn) = 15000.0 + 3.0 GHSERZn
O,LavesC36 r 0,LavesC36 otrnnn
L L
Mg,Zn:Mg = Mg,Zn:Zn = 35000.0
O,LavesC36 0,Laves C36 orifin (
L'MgMg.Zn ^ZntMg.Zn
,-.7. ^77 UUU.U

Phase b c c 2
GMg:Zn:0 = 0.0
0Mg,z = 2500.0

G(T) - H^p-A 3(298.15 K) = G (Mg:Mg:a) = GBCCMg


C(T)-0.5 HtfgA
cp 3
~ (298.l5 K) 0.5 //^ hcp_Zn (298.15 K) = G (Mg:Zn:D) =
GMg:Zn:a + Mg,Zn + 05 GBCCMg + 0.5 GBCCZn
C(T)-0.5 HgA
Qp 3
- (298.15 K) 0.5 H^cp'Zn(298.15 K) = G (Zn:Mg:D) =
GMg:Zn:G + Mg.Zn + 0.5 GBCCMg + 0.5 GBCCZn
cp Zn
C(T) - H^ - (298.15 K) = G (Zn:Zn:D) = GBCCZn
rO,bccB2 rO,bcc2 /-,. . ro

^Mg.ZmMgiD ^Mg:Mg,Zn:G ~ Mg:Zn;D + ^Mg.Zn

rO,bccB2 rO,bccB2 , , rO
^Mg,Zn:Zn:a ^:,: ''MgrZntG + ^Mg.Zn
232 Thermochemical Database for Light Metal A lloys

Phase bccB2

C Mg :Zn:a = 0.0
Mg,Z = 2500.0

G(T) - H ^ c p ' 4 3 ( 2 9 8 . 1 5 K) = G(Mg:Mg:D) = 0.0

G(T) - 0.5 ffcp_i43(298.15 K) 0.5 i / ^ h c p _ Z n ( 2 9 8 . 1 5 K) = = G(Mg:Zn:D) == 2.0 G M g : Z n ; a

G(T) - 0.5 H^hgcp~A 3 (298.15 ) 0.5 i / ^ h c p _ Z n ( 2 9 8 . 1 5 ) = = G(Zn:Mg:0) =- 2 0 G


Mg:Zn:D

G(T) - / / ^ h c p _ Z n ( 2 9 8 . 1 5 K) = G(Zn:Zn:0) = 0.0

P h a s e bccA T,

rO,bcc.42 _ . n ,0
^Mg.ZniO 4 U ^Mg.Zn

Table I Invariant Reactions.

Reaction Type Compositions *Zn /

Liquid + hepA Z ^ Mg5,Zn2o Peritectic .295 .029 .289 614.1


Liquid ^ Mg5,Zn2o + MgZn Eutectic .281 .290 .520 614.1
Liquid + Mg2Zn3 ^ MgZn Peritectic .196 .600 .520 620.1
Liquid + LavesC14 ^ Mg 2 Zn 3 Peritectic .356 .661 .600 688.9
Liquid ^ MgZn2 Congruent .667 .667 864.0
Liquid + LavesC14 ? Mg 2 Zni, Peritectic .913 .661 .846 654.4
Liquid ^ Mg 2 Zn,i hcp,43 Eutectic .926 .846 .997 637.3
Mg5,Zn20 ? * hcp,43 + MgZn Eutectoid .282 .027 .520 598.1
System Mg-Zn 233

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group Model

Mg-Zn (Mg) Mg hP2 M 2


P63/mmc

(Zn) Mg hP2 M 2
Ps/mmc

MgZn2 MgZn2 hP12 Mg 4 Laves-C14


Pfa/mmc Zn, 2
Zn3 6

Mg 2 Zn,i Mg 2 Zn,i cP39


PmZ

MgZn

Mg 2 Zn 3 mCllO
B2/m

Mg 7 Zn 3 Ta 3 B 4 0II42 designated as
Immm Mg5,Zn 20
234 Thermochemical Database for Light Metal A lloys

System MgZr

Solution Phases:
(stable) Liquid, bcc,42, hcp,43
(metastable) icc,41

Modelling:

Liquid Substitutional, RedlichKister


bcc-,42 Substitutional, RedlichKister
fcc-,41 Substitutional, RedlichKister
hcp-,43 Substitutional, RedlichKister

Assessor a n d D a t e :
M. Hmlinen 1991

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

P h a s e bcc,42

0,bcc,42
I Mg.ZrrO 5720.44 + 50.11642

P h a s e fcc,41

OSee-Al
/. Mg,7,r:0 42063.55 + 1.01789

r 1,fee,41
'Mg.Z.rO - 2885.9

P h a s e hcp,43

r 0, hep A3
''Mg,Zr:D 42063.55 + 1.01789

r I,hep-A3
'JMt].7.r:0 2885.9

Phase liquid

0,liquid
I.Mg.Zr = 14003.84 + 29.34205
System Mg-Zr 235

1 1 1 1 1 1 1

2300- LlqulcT + Liquid"

2100-

1900-
1700- Liquid' bec-A 2 _ ^

CD 1500-
-
1300-
cx
E 1100-
03 hepA 3 ^

h 900-

7 0 0 - hcp-,4. 3' hep-yt 3' + hcp- 3 "


500- 1 1 1 1 1 1 1 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Mg x Zr > Zr
Table I Invariant Reactions.

Reaction Type Compositions izr K

Liquid' + bcc,42 ^ hen.43 Peritectic .003 1.000 .993 1154.6


Liquid" ^ Liquid' + bcc.42 Monotectic .985 .015 .999 2104.8
Liquid' + hcp,43" ^ hcp,43' Peritectic .001 .997 .006 926.6

Table II Crystal Structure and Phase Description.

System Phase Prototype P e a r s o n Symbol


Space G r o u p

MgZr (Mg) Mg hP2


P6z/mmc

(Zr) Mg hP2
Ps/mmc

(Zr) W cI2
ImZm
236 Thermochemical Database for Light Metal A lloys

System MnSi

Solution Phases:
Liquid, bcc,42, cbcc,412, cub.413, fcc,41

Compounds:
(stable) Mn 6 Si, Mn 9 Si 2 , Mn 3 Si, Mn 5 S 3 MnSi, Mni,Sii9
(metastable) Al 8 Mn 5 >8,o

Modellin SI

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
cbcc-,412 Substitutional, RedlichKister
cub,413 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
Mn s Si Stoichiometric, (Mn) I7 (Si)3
Mn 9 Si 2 Stoichiometric,(Mn)33(Si)7
Mn3Si Stoichiometric, (Mn) 3 (Si)
Mn 5 Si 3 Stoichiometric, (Mn) 5 (Si) 3
MnSi Stoichiometric, (Mn)(Si)
MnnSi,9 Stoichiometric, (Mn)n(Si)| 9
Al 8 Mn508,o Sublattice model, (Si)i 2 (Mn) 4 (Mn)io

Assessor and Date:


J.E. Tibballs, 1991
Publication:
Sireport, 8902215, 1991

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

P h a s e Mn 3 Si
rjo.diamonH/
C(T) - 3.0 tfM'fcc/,,2'par,,(298.15 K) *:s, (298.15 K) =
298.15 <T< 950.00 : 124189.87 + 782.4373 1 3 1 . 6 8 2
0.00777 2 + 1657200 " 1
950.00 < < 2000.00 : 119740.6 + 777.7538 131.682 - InT
0.00777 2 + 1657200 " 1
System M n-Si 237

Phase MnSi

G(T) - // M 'f c c 4 , 2 p a r a (298.15 K) ffs,i'diamond(298.15 K) =


78135.144+308.2488 52.42121 I n T 0.006903355 2
+ 876442.9 " 1

Phase M n n S i 1 9

C(T) - 11.0 //M'cnbcc"'U2para(298.15 K) 19.0 //s; diamond (298.15 K) =


636300.0 + 1624.93 T 378.694 T InT 0.16391 T 2
15432618 T" 1

Phase Mn 6 Si

C(T) - 17.0 //' M , f cc ' 4,2 ' para (298.15 K) 3.0 /Y;diamond(298.15 K) =
298.15 < T < 1519.00 : 250180.6 + 84".8444 T 1 2 . 0 7 7 5 5 T I n T
0.02850984 T 2 + 7514 T" 1
+ 17.0 GHSERMn + 3.0 GHSERsi
1519.00 < T < 3000.00 : 282008.6 32.58304 T + 12.06754 T InT
0.05879165 T 2 + 3.928228E+31 T~9
+ 17.0 GHSER Mn + 3.0 GHSER.si

Phase Mn 9 Si 2

C(T) - 33.0 // M ' n bcc_/,,2 ' para (298.15 K) 7.0 //|; diamond (298.15 K) =
298.15 < T < 1519.00 : 578208.4 + 381.294 T 56.86988 T InT
0.0500355 T 2 + 1458600 T'1
+ 33.0 GHSER Mn + 7.0 GHSER si
298.15 < T < 1519.00 : 639992.0 + 153.3464 T - 10.0 T I n T
0.1 T 2 + 7.625384E+31 ~ 9
+ 33.0 GHSERwn + 7.0 GIISER S

Phase Mn 5 Si 3

C(T) - 5.0 // M ^ bcc_>U2 ' para (298.15 K) 3.0 /7s,diamonri(298.15 K) =


261930.32 + 1170.778 T 2 1 1 . 1 5 0 T I n T 0.015293 T 2
149263.11 T" 1

Phase 1 8 5 ->8,

C(T) - 14.0 //'M'nbcc"',12'par''(298.15 K) - 12.0 //s' diamond (298.15 K) =


+ 14.0 GIISERwn + 12.0 GHSERsi

Phase bcc-,42
rO,bcc-.4 2
'Mn,Si:0

Mn^D2 = -7500.0
238 Thermochemical Database for Light Metal Alloys

Phase cbccA12
0,rhcc-/U2
Mn.ShO
= - 142743.62 + 22.3961
I.ebee-Al2
Mn.ShQ 16440.608 - 3.5300332

Phase cub A13


0,cub-A13
Mn,Si:D = - 142343.62 + 21.892610
l .,cnb-A13
CIlb-
''Mn.Si D 16440.608 - 3.5300332

Phase fcc-,41
0,frc-/tl
Mn,Si:D - 95600 + 2.94097
Ucc-,41
Mn,Si:D -7500

Phase liquid
0.liquid
'Mn.Si - 139817 + 29.86137
r 1 .liquid
''Mn.Si - 34917.2 + 3.20488
r 2,liquid
''Mn.Si 46782.4 - 1.8.1897
3, liquid
''Mn.Si 16168.2

1700

Si
System Mn-Si 239

Table I Invariant Reactions.

Reaction Type Compositions xs, /

Liquid + bcc,42 ^ cub,413 Peritectic .080 .035 .046 1445.3


bcc,42 + cubA 13 5=* fcc,41 Peritectic .024 .024 .033 1426.6
Liquid + cub,413 ^ MngSi2 Peritectic .191 .140 .175 1312.7
Liquid ^ MngSi2 + Mn^Si Eutectic .197 .175 .250 1309.3
Liquid f MnsSis 7^ Mn3S Peritectic .239 .375 .250 1348.0
MnsS3 ^ Liquid Congruent .375 .375 1556.0
Liquid ^ MnsS3 + MnSi Eutectic .439 .375 .500 1513.4
MnSi F* Liquid Congruent .500 .500 1544.0
Liquid + MnSi ^ Mn,iSii9 Peritectic .639 .500 .633 1423.4
Liquid ^ diamond + Mn,,Si,9 Eutectic .674 .633 1.000 1417.1
cub,413 + MngSi2 =* MneSi Peritectoid .096 .170 .150 918.0
cbcc,412 cub/113 + Mn6Si Eutectoid .086 .075 .150 870.6

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

MnSi crMn rrMn c58 cbcc,412


14 3m

/?Mn /3Mn eP20 cub,413


4x323m

7Mn Cu cF4
Fm3m

<JMn W cI2
ImZm

(Si) diamond cF8 M 8


FdZm

MnSi FeSi cP8 4


P23 Si 4

Mn3Sicr M, 4 transformation not


considered

Mn3Si/3 BiF 3 cF16 M, 4


FmZm M2 4
M3 8

Mn 5 Si 2 MnjSi 2 IP56
P4\2i2
240 Thermochemical Database for Light Metal A lloys

Syslrm Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

Mn,,Si,9 Mni,Sii9 IP120 MnSii.75i in [90Mas]


P4n2

\1 ri.t.i Si, Mo hR53 M, 1 approximated as


3 M2 2 MnsSi
M3 6
M5 6
M6 6
Mn, 2
Mn2 6
Mn3 6
M n.i 6
Mns 6

MnsSi3 Mn5S3 hP16 Mn, 4


P63mcm Mn2 6
Si 6
System M n-Ti 241

System M n T i

Solution Phases:
Liquid, bcc,42, fcc,41, hcp,43, cbcc,412, cub,413

Compounds:
Mn^Ti, Mn 3 Ti, MnTi, MnTi/? ,I,avesC14
Modellin

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
chcc-A12 Substitutional, RedlichKister
cub,413 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Laves(714 Sublattice model: (Mn,Ti) 2 (Mn,Ti)
Mn,,Ti Stoichiometric, (Mn)0.8i5(Ti)o.i85
MnTi Stoichiometric, (Mn)(Ti)
MnTi- Stoichiometric, (Mn)0.5i5(Ti)0.485

Assessor and P a t e :
N. Saunders, 1993

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase bcc,42

1,~:0 = - 23200 + 20

'Mn.TirO 1000

Phase cbcc,412
,0,e\,ee-Al2
''Mn.TirD 29500 + 20

r l.ebee-A\2
''Mn,Ti: 3635 5

Phase cub,413

'Mn,Ti:0 34000 + 20
242 Thermochemical Database for Light Metal A lloys

Phase fcc,41

I$S& = - 26200 + 20
Phase hep A3

/o" = 22100
Phase liquid

L^f = 34000 + 21.5

Llfff = 1400
Phase Mn 4 Ti
G(T)- 0.815 /7'M,nbcc"A12,para(298.15
K) 0.185 /^| hcp ' 43 (298.15 K) =
2445.02.9 + 0.815 GHSERMn + 0.185 GHSERji
Phase Mn 3 Ti
C(T) - 3.0 ^ b c c / , 1 2 ' p a r a (298.15 K) H^cp~A3 (298.15 ) =
18552.0 9.12 + 3.0 GHSERM + GHSERT
Phase MnTi
C(T) - //Mnbcc"'412'para(298.15 K) r7.r;hcp/,3(298.15 K) =
11478.0 + GHSERMn + GHSERTi
Phase MnTi/?
G(T) - 0.515 /^ n b c c 4 l 2 p a r a (298.15 K) 0.485 //^hcp_'43(298.15 K) =
5540.0 2.29 + 0.515 GHSERMn + 0.485 GHSERT,
Phase LavesC 14
C(T) - 3.0 //M^bcc/"2'para(298.15 K) = G(Mn:Mn) = 3000.0 + 3.0 GHSERM
C7(T) 2.0 //^nbcc/,,2'para(298.15 K) H^cp~A 3 (298.15 K) = G(Mn:Ti) =
26400.0 + 2.0 GHSERMn + GHSERTi
C(T) - //^ ' (298.15 K) 2.0 tfhcp/,3(298.15 K) = G(Ti:Mn) =
bcc /112 para

3000.0 + GHSERM + 2.0 GHSERTi


G(T) - 3.0 tfThcp/l3(298.15 ) = G(Ti:Ti) =
15000.0 + 3.0 GHSERT
r O,La veeC\A rO.LaveeC\A -, c(\r\r\
/y 10UUU
Mn:Mn,T ~~ ^TirMn.Ti

O.LaveeC14 r O.LaveaC 1 4 07
Mn.TirMn ~ ^Mn,Ti:Ti ~ /UUU
System Mn-T 243

1900-

1700-

Mn Ti

Table I Invariant Reactions.

Reaction Type Compositions iTi /

Liquid ^ bcc,42 + Mn 4 Ti Eutectic .111 .086 .185 1478.0


Liquid + Mn 3 Ti ? Mn4Ti Peritectic .153 .250 .185 1502.8
Liquid + LavesC14 ^ Mn3Ti Peritectic .180 .300 .250 1523.5
Mri3Ti ^ Mn 4 Ti+ LavesC14 Eutectoid .250 .185 .287 1222.3
Mn4Ti r* cbcc,412 + LavesC14 Eutectoid .185 .124 .286 1198.4
cbcc,412 + Mn 4 Ti ^ cub,413 Peritectoid .080 .185 .110 1309.3
brc-AI + Mn4Ti ^ eub-A \Z Peritectoid .076 .185 .078 1408.6
bec-Al v fee-A ] + cub,413 Eutectoid .008 .005 .009 1387.6
LavesC14 # Liquid Congruent .344 .344 1598.0
Liquid + I.avesC'14 =* MiiTi/3 Peritectic .560 .485 .403 1500.2
MnTi0 r LavesC14 + MnTi Eutectoid .485 .369 .500 1071.3
MnTi/3 + bcc,42 MnTi Peritectoid .485 .748 .500 1224.0
bcc,42 ^ MnTi + hcp,43 Eutectoid .827 .500 .996 827.6
Liquid ^ MnTi/? + bcc/12 Eutectic .620 .485 .706 1455.5
244 Thermochemical Database for Light Metal Alloys

Table II C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattice

MnTi aMn aMn c584 cbcc,412


/43m

/3Mn /3Mn eP20 cub,413


P4,323m

7~Mn Cu cF4 M 4 fcc


FmZm

iMn W eli M 2 bcc,42


ImZm

(Ti) Mg h PI M 2
Pz/mme

(Ti) W cli M 2
ImZm

MnTi .58

MnT/3

Mn 3 Ti

Mn 2 Ti MgZn2 12 Mn, 2 LavesC14


Pz/mmc Mu., 6
Ti 4

Mn 4 Ti ~(Mo,N) 53
3
System Mn-Zr 245

System M n Z r

Solution Phases:
Liquid, bcc,42, cbcc,412, cub,413, fcc,41, hcp,43

Compound:
Mn 2 Zr

Modelling:

Liquid Substitutional, RedlichKister


bcc-,42 Substitutional, RedlichKister
cbcc,412 Substitutional, RedlichKister
cub,413 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Mn27,r Stoichiometric, (Mn) 2 (Zr)

Assessor and Date:


K. Hack, GTT, Germany (1997).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase Mn 2 Zr
o.cbcc 412,para
C(T) - 3.0 (298.15 K) = G(Mn:Mn) =
298.15 < < 1519.00 : 021345.84+390.177 70.3746 InT
0.02204304 2 + 209481.3 " 1
1519.00 < T < 2000.00 : 83200.23 + 936.7944 144
+ 4.970541+30 ~ 9
cc/,12,para
C(T) - 2.0 #M
' (298.15 ) H%rhcp-A 3 (298.15 ) = G(Mn:Zr) =
298.15 < < 1900.00 79282.375 + 386.94271 71.0782
0.01907327 2 + 174625.2 T" 1
1900.00 << 2000.00 119446.65 + 750.75589 120.1618
0.00437791 2 + 34971 '1
+ 3.313694+30 " 9
246 Thermochemical Database for Light Metal A lloys

C(T) - //Ccnbcc412'para(298.15 K) 2.0 H*cp~M {298.15 K) = G(Zr:Mn) =


298.15 < T < 1519.00 : 8770.8146 + 381.3571 71.7818 InT
0.0161035 2 + 139769.1 " 1
1519.00 < T < 2000.00 : 29388.945 + 563.56289 96.3236
0.00875582 2 + 69942 " 1
+ 1.656847+30 ~9
hcp_/,3
G"(T) 3.0 ffz; (298.15 ) = G(Zr:Zr) =
298.15 < < 2128.00 : 8482.785 + 376.94715 72.4854
0.01313373 2 + 104913 " 1
2128.00 < < 6000.00 : 63257.763 + 788.17255 126.432 -
4.028685+31 " 9

'Xzr Z Mn = 18442.56 + 14.090471

<?% = 18442.56 + 14.090471

C S , = 1066.4675 + 10.504933

'-Mn.zrfzr = 1066.4675 + 10.504933


Phase bcc-,42
,777 = -2135.3475-0.13258

l&' = -4084
Phase cbccA12
'ut" = 20000
Phase cub,413
'Aio-'3 = 24000
Phase fccAI
1
^ = 20000
Phase hcp A3
3
'a = 25000
Phase liquid
d
''Mn?zr = - 35187.553 + 2.6983563

MnqzrH = - 1305.986
System Mn-Zr 247

Mn

Table I Invariant Reactions.

Reaction Type Compositions *Zr

Liquid ^ bcc,42 + Mn2Zr Eutectic .071 .018 .236 1421.9


bcc,42 * + cub,413 + Mn2Zr Eutectoid .012 .000 .213 1334.5
fee- bec-A + cub,413 Metatectic .0003 .0002 .0062 1359.1
cub,413 5= cbcc-A]1 + Mn2Zr Degenerate .000 .000 .179 980.1
Liquid ? Mn2Zr + bec-A I Eutectic .694 .535 .911 1424.1
bec- Mn2Zr + hcp,43 Eutectoid .971 .540 .998 1075.4
Mn2Zr ^ Liquid Congruent .345 .345 1730.0
248 Thermochemical Database for Light Metal Alloys

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Mn-Zr -M n a-Mn c58 cbcc- Ail


14 Sm

/?-Mn /?-Mn cP20 cub-,413


P4iS2Sm

7-Mn Cu cF4
Fm3m

<5-Mn W cI2
ImZm

(Zr) Mg hP2 M 2
P6s/mmc

(Zr) W cI2 M 4
ImZm

Mn 2 Zr MgZn2 hP12 Mn 2 Laves-C14


P6a/mmc Mn 6
Zr 4
System Mo-Ti 249

System Mo-Ti

Solution Phases:
(stable) Liquid, bcc-,42, hcp-,43
(metastable) bcc-S2, fcc-,41

Compounds:
(metastable) AIM-DO19, A1M-D0 22 , AlTi-Llo

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
bcc-S2 Sublattice model, (Mo,Ti)o.s(Mo,Ti)o.5(n) 3
The thermodynamic description of the bcc B2 takes
into account the ordering reaction bcc-,42 ^ b c c - # 2 .
Two descriptions are given: one using equations
23 and 27, the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
A1M-D0, 9 Sublattice model, (Mo,Ti)(Mo,Ti) 3
A1M-D0 22 Sublattice model, (Mo,Ti) 3 (Mo,Ti)
AlTi-Llo Sublattice model, (Mo,Ti)(Mo,Ti)

Assessor and Date:


N. Saunders, 1995

T h e r m o d y n a m i c properties of the solution and compound p h a s e s (J.mol ')

Phase liquid
r 0,liquid
''Mo.Ti 9000 + 2

Phase fcc-,41
r o,rrc-/ti
'Mo.Ti:G = 16500
250 Thermochemical Database for Light Metal A lloys

Phase hcp,43

3 = 22760 - 6

Phase bcc-,42

LMIJZ2 = 2000

L^TZO2 = 2000
Phase bcc? 2

G"(T) - 7/M'bcc/12(298.15 ) = G(Mo:Mo) = 0.0


C(T) - 0.5 //MoCC">'2(298.15 K) 0.5 i/;hcp43(298.15 K) = G(Mo:Ti) =
5000
C(T) 0.5 //M'O CC_/42 (298.15 K) 0.5 tfr;hcp_'43(298.15 K) = G(Ti:Mo) =
5000
C(T) - H^cp~A 3(298.15 K) = G(Ti:Ti) =
0
rU,bccB2 rO,bcc-B2 cnnn
0UUU
^,:: ^Mo.TiiTiiD ~

r 0,bcc-B2 rO,bcc-B2 cnnn


0UUU
Mo:Mo,Ti:D ~ ^TiiMo.TLa ~

Phase b c c 2

G'Mo:T,a = 5000

G(T) //M'bcc_,42(298.15 K) = G(Mo:Mo:a) = 0.0

C(T) - 0.5 /M'bcc42(298.15 ) 0.5 tfhcp/43(298.15 ) == G(Mo:Ti:G) == 20 GMo:Ti:0

G(T) 0.5 H^cc-A2 (298.15 K) 0.5 H^cp~A3 (298.15 ) == G(Ti:Mo:D) == 2.0 GMo:Ti:D

G(T) - H^cp-A 3(298.15 K) = G(Ti:Ti:D) = 0.0

Phase bcc,42

f e a ' = 2000

Mbo^o2 = 2000
System Mo-Ti 251

Phase A1MD0, 9

G" () 4.0 Hh0cc~A 2(298.15 ) = G(Mo:Mo) = 4.0 GHCPMO


3.0 // M ' bcc ' 42 (298.15 K) H^cp-A 3(298.15 K) = G(Mo:Ti)
C(T) 17072 4.5 T + 3.0 GHCP M o + GHSER Ti
o, bec A2
UMo (298.15 K) 3.0 rYf; hcp_/,3 (298.15 K) = G(Ti:Mo) =
C () 17072 4.5 T + G H C P M O + 3.0 GHSER T i
4.0 tf0r;hcp'43(298.15 K) = G(Ti:Ti) = 4.0 + 4.0 GHSER Ti
C ()
Phase A1MD0 22

C(T) 4.0 H o,bee-A2 (298.15


" " M o
K) = G(Mo:Mo)
I""'"' ;
= 4.0 GFCC M o
v ^ v . . . . . . . . . , ^ . . v ^mo
C(T) 3.0 H^0CC-A 2(298.15 K) II tfcp-A3 (298 A 5 K) = G(Mo:Ti) =
3.0 G F C C M O + G F C C T
C(T) ^MoCC_,42(298.15 K) 3.0 ffj.;hcp'43(298.15 K) = G(Ti:Mo) =
G F C C M O + 3.0 GFCC T i
C(T) 4.0 // T i h c p _ / , 3 (298.15 K) = G(Ti:Ti) = 4.0 GFCC T i

Phase A l T i i , l 0

C(T) 2.0 ^ b c c _ ' 4 2 ( 2 9 8 . 1 5 K ) = G(Mo:Mo) = 2.0 GFCC M o


C(T) // M o CC " (298.15 K) // T i h c p " 3 (298.15 K) = G(Mo:Ti)
8250 + G F C C M O + G F C C T I
C(T) IfM0cc~A2(298.15 K) II*cp-AJ(298.15 K) = G(Ti:Mo)
8250 + G F C C M O + G F C C T
C(T) - 2.0 // T i h c p ' 4 3 (298.15 K) = G(Ti:Ti) = 2.0 GFCCT
r O . A I T i /.lo
Mo.T Mo L"Z':U 8250
O.AITi-f.lo _ rA
O, ITi-,lo oneen
z o u
,' ^Ti:Mo,Ti

Table I - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Comments


Space Group

Mo-Ti (Mo) W cl2


ImZm

(Ti) Mg hP2
P&i/mmc

(Ti) W cI2
ImZm
252 Thermochemical Database for Light Metal Alloys

3000-

2600-

2000-
4->
CD
l_ bcc-yl 2
CD
Q. 1500-
E

r-
1000 -I

600-1

Mo ^Tl Ti
System N-Ti 253

System N T i

Solution Phases:
Liquid, hcp,43, bcc,42, fcc,41 ( ^ , ^
Compound:
Ti 2 N, Ti 3 N 2 , Ti 4 N 3
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Sublattice, (Ti)(N,D)
hcp,43 Sublattice, (Ti)(N,D)
fcc,41 Sublattice, (Ti)(N,D)
Ti 2 N Stoichiometric, (Ti) 2 (N)
Ti 3 N 2 Stoichiometric, (Ti)o.2g(N)o.7i
Ti 4 N 3 Stoichiometric, (Ti)0.3i5(N)0.685

Assessor and D a t e :
K. Zeng and R. SchmidFetzer, Univ. Clausthal,
Germany, 1997
Comments:
The value of G H S E R T N S taken from S. Jonsson,
Thesis, Royal Institute of Technology, Stockholm,
Sweden (1993)

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase fcc,41
cp A 3
C(T) /70;f(298.15 K) H^ - (298.15 K) = GHSER TiN =
357905.0 + 330.498 52.4587 InT 9.28E04 2
2 . 4 1 E + 0 9 " 3 + 871000.0 " 1
1
.^ = 42704.41

r 1.ferAl
^ThCO 13989.34
Phase T i 4 N 3
C(T) - 0.315 ff0f(298.15 K) 0.685 II^cp-A 3 (298.15 K) =
5956.8633 3.2749 + 0.37 GHSER Ti + 0.315 GIISER T N
254 Thermochemical Database for Light Metal Alloys

4000- J I I I I I I L

3500- Liquid

C(T) - 3.0 tf0f(298.15 K) - //T;hcp_'43(298.15 K) = G(Ti:N) =


2604201.62 + 118.04 T+ GHSERTiN+ 2.0 GHSERN
0,bcc-A2
/;, = -3215338.17

Phase hcp-,43

G"(T) - 0.5 # 0 |(298.15 K) - //T;hcp_'43(298.15 K) = G(Ti:N) =


- 6046.53 - 2.653 T+ 0.5 GHSERTiN + 0.5 GHSERTi
rU.hcp A3
''Ti:Q - 13501

Phase Ti 2 N

G"(T) - //o-f"a(298.15 K) - 2.0 //T'ihcp"'l3(298.15 K) =


-67116 + 26.5395533 + GHSERT +GHSERTN

Phase Ti 3 N 2

G(T) - 0.29 //0|"2(298.15 ) 0.71 /fT;hcp/13(298.15 ) =


8190.34 1.54816 + 0.42 GHSERTi + 0.29 GHSERTN
System N-Ti 255

P h a s e liquid

r 0,liquid
''N,Ti 376354.145

r 1,liquid
'N ; 98242.2945

Table I Invariant R e a c t i o n s .

Reaction Type Compositions *Ti /

fcc,41 + hcp,43 r* Ti 4 N 3 Peritectoid .673 .784 .685 1551.1


Ti<N3 + hcp,43 r i Ti 3 N 2 Peritectoid .685 .784 .710 1376.8
Ti 3 N 2 r i Ti 2 N + hcp,43 Eutectoid .710 .667 .787 1336.2
T4N3 r* Ti 2 N + Ti 3 N 2 Eutectoid .685 .667 .710 1348.5
fcc^ir + Ti 3 N 2 r i T i 2 N Peritectoid .658 .685 .667 1354.8
Liquid + fcc,41* ? i hcp,43 Peritectic .882 .695 .793 2618.0
Liquid + hcp,43 r^ bcc-A I Peritectic .967 .863 .932 2268.6
fcc,41 r i Liquid Congruent .533 .541 3585.0

fcc,41 = Ti r N,

Table II C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattice

NTi 0.5N2 gas

(Ti) Mg h PI M 2
Pf3/mmc

(Ti) W ell M 2
ImZm

TiN CINa cFS N 4 modelled as


FmZm Ti 4 fcc,41

Ti 2 N anti0 2 Ti <P6 N 2
(rutile) P4'i/mnm Ti 4

T.4N3 Ti 7 S, 2 h RS N, 3
RZm N2 3
N3 6
Ti, 6
Ti 2 6
T13N0 not indicated in
[91 Vil] nor in [90Mas]
256 Thermochemical Database for Light Metal A lloys

System N b T i

Solution Phases:
(stable) Liquid, bcc,42, hcp,43
(metastable) bccB2, fcc,41

Compounds:
AIMDO,.,, A1MD0 22 , AlTil 0 ,Cr 3 Si/115
(metastable)

Modelling:
Substitutional, RedlichKister
Liquid Substitutional, RedlichKister
bcc,42 Sublattice model, (Nb,Ti)o.5(Nb,Ti)o. 5 (n) 3
bccS2 The thermodynamic description of the bccB2 takes
into account the ordering reaction bcc,42 ^ bcc? 2.
Two descriptions are given: one using equations
23 and 27, the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
fcc,41 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
A1MD0 19 Sublattice model, (Nb,Ti)(Nb,Ti) 3
AM-DO22 Sublattice model, (Ti) 3 (Nb,Ti)
AlTiLlo Sublattice model, (Nb,Ti)(Nb,Ti)
Cr 3 Si,415 Sublattice model, (Nb,Ti) 3 (Nb)

Assessor a n d D a t e :
N. Saunders, 1995

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s (J.mol ')

P h a s e liquid

d
L^;
J
Nb,Ti = 8500
System Nb-Ti 257

Phase fcc,41
Nb,TT:o = 13600

LUC = 1E04

:' = 2500

Phase hcp,43

Nb^o 3 = 13600

r f = 1E04
r2.hcp.43 _ ocflfl
^Nb.TiiD Z0UU

Phase C r 3 SiAl5
C(T) 4.0 //Nbcc"'42(298.15 K) = G(Nb:Nb) =
20000 + 10 + 4.0 GFCCNb
G(T) - H^cc-A 2(298.15 K) 3.0 H^cp~A 3(298.15 K) = G(Ti:Nb)
20000 + 10 + 3.0 GFCCNb + GFCCT
Phase bcc,42
2
L\th%n 14000

N'b^ho2 = 10E4


^Nb.Tha 2500

Phase b c c 2

GNb:Ti:D = 5500
C(T) - H^cc-A 2(298.15 K) = G(Nb:NbO) = 0.0
C(T) - 0.5 /iN'bbcc42(298.15 K) 0.5 H^cp~A3 (298.15 ) =
G(Nb:Ti:D) = GNb:Ti:D
C(T) - 0.5 H^CC~A 2(298.15 K) 0.5 tfT;hcp_/13(298.15 ) =
G(Ti:Nb:) = G'Uh.,Ti:0
C(T) - H^cp-A 3(298.15 K) = G(Ti:Ti) = 0.0
rO,bccB2 rU,bccB2

^Nb.TiiNbiO ^Nb.TiiTiiG

rO,bccB2 _ rO,bccB2 _

^Nb:Nb,Ti:D ^Ti:Nb,Ti:D OOUU
258 Thermochemical Database for Light Metal A lloys

Phase b c c 2

G 550
Nb:Ti:a =

G"(T) - H^CC~A 2(298.15 K) = G(Nb:Nb:) = 0.0

G(T) - 0.5 // N ' b cc/,2 (298.15 K) 0.5 // T ; hcp "' 43 (298.15 K) == G(Nb:Ti:D) = 2
0 G
Nb:Ti:0

G(T) 0.5 //N'b3cc_/12(298.15 K) 0.5 H^cp~A3 (298.15 K) == G(Ti:Nb:0) = 20 G N b : T . G

G(T) - H^CC~A 2 (298.15 K) = G(Ti:Ti:D) = 0.0

Phase bcc,42

N b ^ D 2 = 14000

f e r f l.OE4

N'b, 2 = 2500

3000- J I I I I I I I L

Liquid

2600-

2000-
D
+->
03
bcc 2
) ~
Q. 1600-
E
r-
o
1000-

Nb Ti
System Nh-Ti 259

Phase A1MD0,9

C(T)-A.O H$A cc 2
- (298.15 K) = G(Nb:Nb) = 4.0 GHCP Nb
C(T) - 3.0 // N r c_ ' 42 (298.15 K) H^cp~A 3 (298.15 K) = G(Nb:Ti) =
10668 + 3.0 GHCPNb + GHSERTi
C(T) - lf^cc-A 2(298.15 K) 3.0 WT'ihcp43(298.15 K) = G(Ti:Nb) =
10668 + GHCPNb + 3.0 GHSERTi
C(T) - 4.0 //T'ihcp"/13(298.15 K) = G(Ti:Ti) = 4.0 + 4.0 GHSERT
''Nb,Ti:Ni. 30248

rl,AIM-DOie _
,0on
''Nb,Ti:Nb - - -

r2,AIM-DO _ r.,r.
J , D
''Nh,Ti:Nb '

,'^'0" = 302/|8

,1.A1M-D0,s _ , 9 9
''Nb,Ti:Ti ~~ ^ " u

r2,AlM-DOiB IIRA
J I D 1
'-Nb.Ti-Ti

rO.AiM-Dn19 _ ,
q4 yq 9
''Ni:Nb.ri -a

rl.AIM-00,9 ,(,Q
''NbiNb.Ti = 4b

r2.AIM-D0,9 _ , n

''Nb:Nb,TI 'U

r0.AlM-D0, 9 _ .gr,,
a
''Ti:NI,,Ti ^ - q

rl.AIM-D0, 9 _ ,rc,

'-Ti:NI..T ~ "

r2,AIM-DO,9 _ ,n
W
''Ti:Nb,TI

Phase A1MD022
G(T) - /C"" 42 (298.15 K) 3.0 //Thcp_/43(298.15 ) = G(Ti:Nb)
GFCCNb + 3.0 GFCCT
C(T) - 4.0 // Ti hcp ^ 3 (298.15 ) = G(Ti:Ti) = 4.0 GFCCT
Phase AlTi,l 0
C(T) - 2.0 H^cc-A 2 (298.15 K) = G(Nb:Nb) = 2.0 GFCCNb
C(T) - //.N^CC_ (298.15 K) //Thcp_'43(298.15 K) = G(Nb:Ti) =
13600 + GFCCNb + GFCCT
260 Thermochemical Database for Light Metal A lloys

C(T) - lfcc-A2(298.15 K) //T;hcp_y43(298.15 K) = G(Ti:Nb) =


6800 + GFCCNb + G F C C T
C(T)_- 2.0 H^cp~A 3(298A 5 K) = G(Ti:Ti) = 2.0 GFCCTi
rO,AITIi,lo
''Nb.TitNb = 7738
r l.AITif.lr,
''Nb,Ti:Nb = 1250
r2,AITIf,l 0
^Nb,Ti:Nb = 312
rO,AITi,lo
'JNb,Ti:T = 7738
r ,-,
''Nb,T:Ti = - 1250
r2,AITi-Llo
y
'Nb,TI:Ti = 312
r O,AITi-/,lo
'Nb:Nb,Ti = 7738
r ,-,
''Nb:Nb,Ti = 1250
,2,AITi-,l 0
Nb:Nl.,T = 312
0,AlTi-Llo
I.JT:Nb,Ti = 7738
rl,AITi-f,l0
''Ti:Nb,Ti = - 1250
r2,AITI-Ll 0
''Ti:Nb,Ti = 312
r O,AITi-,l 0
'Nb,Ti:Nb,T = - 7500

Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Comments


Space Group

Nb-Ti (Nb) W cI2


ImZm

(Ti) Mg hP2
Pfc/mmc

(Ti) W C2
ImZm
System N i-V 261

System N i V

Solution Phases:
Liquid, bcc,42, fcc,41,

Compounds:
Ni 2 V, N13V, Ni 2 V 7

Modellin

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
fcc,41 Substitutional, RedlichKister
Ni 2 V Stoichiometric, (Ni) 2 (V)
Ni., Stoichiometric, (Ni) 3 (V)
Ni 2 V 7 Stoichiometric, (Ni) 2 (V)7
Sublattice model, (Ni) 8 (V) 4 (Ni,V), 8

Publication:
J. Korb, and K. Hack, GTT, Germany (1997).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase bcc,42
r 0,b<c/12
''Ni,V:G : = 30513.8 + 12.6138
Phase fee.41
r0.lee-A\
''Ni,V:0 = 36365.6 + 3.75677
r l,tee-Al
''Ni,V:D = 11860.79.0302
r2.frc-^l
'Ni,V:D 10647.5 + 7.00954

Phase liquid
0.liquid
/.'N.V 51927 + 14.99
262 Thermochemical Database for Light Metal Alloys

Phase Ni 2 V

C(T) - 2.0 ^- (298.15 ) - //v'bcc_/12(298.15 ) =


-38032.065 + 337.2614 - 64.6973 InT - 0.01512 2
- 13.75326 " 1

Phase Ni 3 V

C(T) - 3.0 H^cc-Ahpm (298.15 ) - /Yv,bcc_/42(298.15 ) =


- 45524.96 + 529.01852 - 99.74166 - 0.00824 2
- 13753.332 " 1

Phase Ni 2 V 7

G"(T) - 2.0 Hcc~A i,pm (298.15 ) 7.0 H^hcc-A 2(298.15 ) =


190634.14 + 1333.90548 233.55668 0.00482 2
5.19630806 3 + 844557.21 " 1

Phase

C(T) - 26.0 ^-- (298.15 ) 4.0 ffv,bcc_/42(298.15 ) = G(Ni:V:Ni)


298.15 < < 790.00 : 161645.05 + 3532.8443 671.032
0.1382502 2 + 4.8707 3 + 277840 " 1
790.00 < < 1728.00 : 161794.7 + 3572.6245 678.096
0.1256082 2 - 2.7206 3
cc A lpm
C(T) 8.0 H^ - (298.15 ) 22.0 rYv'bcc_>,2(298.15 ) = G(Ni:V:V) =
298.15 < < 790.00 : 663330.65 + 4012.7719 707.716
0.1068816 2 + 2.678506 3 + 1528120 "
790.00 < < 1728.00 : 664153.72 + 4231.5628 746.568
0.0373506 2 1.49605 3

Table Invariant Reactions.

Reaction Type Compositions *Zr /K

Liquid + bcc,42 r* <x Peritectic .626 .769 .662 1552.3


+ bcc,42 r i Ni 2 V 7 Peritectoid .727 .922 .778 1171.9
Liquid r i fcc,41 + Eutectic .501 .443 .578 1485.7
fec-A\ r i Ni2V + Eutectoid .368 .333 .554 1150.9
fcc-A\ r i Ni3V + Ni2V Eutectoid .313 .250 .333 1175.5
Ni3V r i fcc,41 Congruent .250 .250 1324.0
Ni2V r i fcc-A \ Congruent .333 .333 1190.0
System N i-V 263

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

NiV (Ni) Cu cF4 M 4


FmZm
(V) W eI2
ImZm

Ni8V NbNi /18

Ni3V AI3T1 118 Ni, 2


14/mmm Ni2 4
V 2

Ni 2 V MoPt 2 oIS
CrFe t 30 High and low forms
P4i/mnm given in [90Mas]
NiV 3 Cr3Si cP8 Cr 6 assumed to be Ni 2 V 7
PmZn Si 2 by the assessors
264 Thermochemical Database for Light Metal Alloys

System SiSn

Solution Phases:

Liquid, diamond

Modelling:

Liquid Substitutional, Redlich-Kister


diamond Substitutional, Redlich-Kister

Assessor a n d D a t e :

H.L. Lukas 1993

J L J L

1800- Liquid

^ 1550-

2? 1300-
=3
*->
diamond
(0
105C
Q.
E
Q> 800-
r-
550-
bc\-A 5
300 1 1 1 1 1 1 1 1
0.0 0.1 02 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
Si Xsn -* Sn
System Si Sn 265

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase diamond
r 0,diamond
''Si.Sn = 25265.65 + 23.84

Phase liquid

r 0.liquid
'S.Sn 25364.6

r 1.liquid
'S.Sn 3148.8

2.liquid
'Si.Sn 4460.9

Table I Invariant Reactions.

Reaction Type Compositions zs n

Liquid r i bel-A h + diamond Degenerate .000 .000 1.000 505.1

Table II C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

SiSn (Si) diamond cF8


Fd3m

(Sn) /3Sn tI4


4\/amd
266 Thermochemical Database for Light Metal A lloys

System SiTi

Solution Phases:
Liquid, bcc,42, hcp,43
Compounds:
Si 2 Ti, S'uTi 5 , SiTi, SiTi 3 , Si 3 Ti 5
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Si 2 Ti Stoichiometric (Si) 2 (Ti)
Si 4 Ti 5 Stoichiometric (Si)^(Ti)s
SiTi Stoichiometric, (Si)(Ti)
SiTi 3 Stoichiometric, (Si)(Ti) 3
S3T5 Sublattice model, (Si,Ti) 2 (Si,Ti) 3 (Ti) 3

Assessor and Date:


H. Seifert
Publication:
Thesis, Univ. Stuttgart, Germany (1994)

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases ( J . m o l 1 )

P h a s e Si 2 Ti

C(T) - 2.0 tfs'di*mond(298.15 K) // T ; hcp "' 43 (298.15 K) =


175038.5 + 4.54 + 2.0 GHSER s i + GIISER Ti

P h a s e Si 4 Ti 5

G(T) - 4.0 tf|;diamond(298.15 K) 5.0 tfT;hcp/,3(298.15 ) =

711000.0 + 22.37355 + 4.0 GHSER S + 5.0 GHSER T

P h a s e SiTi

G(T) - Hdi"nond(298.15 K) //: hcp >,3 (298.15 K) =


155061.7 + 7.6345 + GHSER S + GHSER T
System Si-Ti _267

Phase Si 3 Ti 5

C(T) 5.0 //si'diamonH(298.15 K) 3.0 /j"T'ihcp_>,3(298.15 K) = G(Si:Si:Ti) =


' 2 0 6 1 9 1 . 4 5 + 16.4953 + 5.0 GHSER S + 3.0 GHSER T
C(T) 3.0 //s ,diamond (298.15 K) 5.0 // T ; hcp_/13 (298.15 K) = G(Ti:Si:Ti) =
583564.31 + 2.68514 + 3.0 GHSERsi + 5.0 GHSER Ti
C(T) - 2.0 //|; diamond (298.15 K) 6.0 // T ; hcp_>t3 (298.15 K) = G(Si:Ti:Ti) =
^ 417372.85 + 33.81017 + 2.0 GHSER S + 6.0 GHSER Ti
C(T) - 8.0 tfT;hcp>,3(298.15 K) = G(Ti:Ti:T) =
40000.0 + 20.0 + 8.0 GHSERT
/'sfTiliTi = 500000 + 40.0

^'sfvi'hT', = -500000 + 40.0

s'hSi.TiT = 43024.293.44194

^Thsjn.Ti = 43024.293.44194

Phase SiTi 3

C(T) - //s' diamond (298.15 K) 3.0 /7 T ; hcp_/l3 (298.15 K) =


200000.0 + 3.19924 + G H S E R S + 3.0 GHSER T

Phase bcc,42

^/hc/2 = 275629.1 + 42.5094

^\,{72 = 25025.35 - 2.00203

I2*"-nA2 = 83940.65 - 6.71526


Phase diamond
r O.diamond >[\ ep

Phase hepA3

/,^43 = 302731.04+69.08469

Ll*rrp-aA3 = 25025.35 2.00203

Ll^A3 = 83940.65 6.71526


268 Thermochemical Database for Light Metal A lloys

Phase liquid
/ 0,liquid
.Ut
''Si, 255852.17 + 21.87411
r 1 .liquid
''Si,Ti 25025.35 2.00203
r 2,liquid
''Si.Ti 83940.65 6.71526

3000

Table I Invariant Reactions.

Reaction Type Compositions *Ti /

Liquid r i diamond + Si 2 Ti Eutectic .185 .000 .333 1604.3


Liquid r i Si 2 T + SiTi Eutectic .363 .333 .500 1747.4
Si 2 Ti ? i Liquid Congruent .333 .333 1757.0
Liquid + Si^Tis ? i SiTi Peritectic .396 .556 .500 1842.8
Liquid + S3T5 r i S4T5 Peritectic .509 .602 .555 2192.6
S3T5 r* Liquid Congruent .625 .625 2394.0
Liquid r i S3T5 + bcc-A 1 Eutectic .869 .644 .951 1613.0
S3T5 4 bcc,42 r i S1T3 Peritectoid .641 .963 ,7.r,0 1443.2
bcc-A1 r i SiT3 + bep-A Z Eutectoid .988 .750 .995 1139.4
System Si-Ti 269

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

SiTi (Si) diamond cF8


FdZm

(Ti) Mg h PI
P&s/mmc

(Ti) W ell
ImZm

TiSi 2 TiSi 2 oF14


Fddd

TiSi TiSi oPS


Pmml Si, 2
Si2 2
Ti, 1
Ti 2 1
T3 1
T4 1

TiSi FeB oPS also given


Pnma in [90Mas]

Ti 3 Si PT3 tPZI
P42/n

T5S3 Mn 5 Si 3 16 Si 6
P^/mcm Ti, 4
Ti 2 6

T5S4 Si4Zr5 P36


P4,2,2
270 Thermochemical Database for Light Metal A lloys

System SiV

Solution Phases:
Liquid, bcc,42
Compounds:
Si2V, Si3V5, Si5Ve, SiV3
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
S1V3 Sublattice model, (Si,V)(Si,V)3
Si2V Stoichiometric (Si)2(V)
S3V5 Stoichiometric (Si)3(V)s
SisVr, Stoichiometric (Si)s(V)e

Assessor and Date:


M.H. Rand, and N. Saunders 1994

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase Si 2 V

C(T) - 2.0 #sidi,lm0r,d(298.15 K) //v'bcc"'42(298.15 K) =


143160.0+401.98 67.8 InT 0.0075 2
+ 330000.0 " 1

Phase Si 3 V 5

C(T) - 3.0 #s;diamond(298.15 K) 5.0 ffv,bcc"/l2(298.15 K) =


504000.0 + 1259.03 211.04 InT 0.00748 2
+ 1680000.0 " 1

Phase Si 5 V e

C(T) - 5.0 //'s'di,u,">nd(298.15 ) 6.0 Hy-hcc-A 2 (298.15 ) =


641675.0 + 1665.98 280.28 0.013915 2
+ 2310000.0 " 1
System Si-V 271

Phase SiV 3

G"() - 4.0 tfs;diamond(298.15 ) = G(Si:Si) =


208000.0 80.0 + 4.0 GHSERsi
G"() - //s'diamond(298.15 ) 3.0 //v'bcc_/l2(298.15 ) = G(Si:V) =
216397.0 + 516.532 90.44 0.008346 2
+ 358000 1
C(T) - 3.0 //s;diamond(298.15 ) //v'bcc_'42(298.15 ) = G(V:Si) =
* 166000.0 60.0 + 3.0 GHSERS + GHSERv
G"() - 4.0 f'v'bcc"',2(298.15 ) = G(V:V) =
+ 18000.0 + 10.0 + 4.0 GHSERv

r. = 9794.5 21.8

Ll?* = 9794.5 21.8

r^ = - 150000
n .SiV 3 _

''V:S,V

Phase bcc,42
L^y1M = - 164505 + 30.1

L^cA2 = 37000

Ll^cA2 = 20000

Phase liquid
^o.iiquid _ _ ]80gorj + 40

r^"'"1 = 37000

7, 2 i '7' iH = 20000
272 Thermochemical Database for Light Metal A lloys

1 1 1 1 I 1 1 1

-
2600- Liquid
-
\ ^^
<j> 2000-
atu

l_ >
O Vi
Q_ 1500- \
E :"- diamond > >" / bcc-A 2 - 4
>
1000-

/ -
1
600- 1 1 1 1 1 r
0.0 0.1 02 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

Si

T a b l e I Invariant R e a c t i o n s .

Reaction Type Compositions xy /

Liquid r i diamond + Si2V Eutectic .031 .000 .333 1675.1


Si2V r i Liquid Congruent .333 .333 1952.0
Liquid r i Si2V + Si 5 V 6 Eutectic .403 .333 .545 1923.9
Liquid + Si 3 V 5 ? i Si 5 V 6 Peritectic .412 .625 .545 1943.1
S3V5 r i Liquid Congruent .625 .625 2284.0
Liquid r i Si 3 V 5 + S1V3 Eutectic .727 .625 .748 2190.8
S1V3 r i Liquid Congruent .750 .750 2196.0
Liquid r i S1V3 + bccA2 Eutectic .879 .799 .901 2081.1
Si 5 V 6 r i Si2V + S3V5 Eutectoid .545 .333 .625 1434.7
System Si-V 273

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Si-V (Si) diamond cF8 M 8


FdZm

(V) W eI2 M 2
ImZm

SiV3 Cr3Si cP8 Si 2


PmZn V 6

Si2V CrSi2 hP9 Si 6


P&22 V 4

S3V5 S3W5 1132


14/mcm

SisVfi NbfiSn5 0I44 Si, 4 GeT6 , barn


Immm Si2 8 in [91VI]
Sia 8
V, 8
V2 8
V3 8
274 Thermochemical Database for Light Metal A lloys

System SiY

Solution Phases:
Liquid, bcc,42, hcp,43
Compounds:
Si2YR, Si2YH, Si5Y3R, Si5Y3H, SiY,
Si3Y5, S4Y5
Modelling:

Liquid Substitutional, RedlichKister


bcc,42 Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
Si 2 YH Stoichiometric, (Si) 2 (Y)H
Si 2 YR Stoichiometric, (Si) 2 (Y)R
S5Y3H Stoichiometric (Si)s(Y) 3 H
S5Y3R Stoichiometric (Si) 5 (Y) 3 R
SiY Stoichiometric, (Si)(Y)
S3Y5 Stoichiometric, (Si) 3 (Y)s
S4Y5 Stoichiometric, (Si)4(Y)s

Assessor a n d '. Date:


H.L. Lukas 1991

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase Si 2 YH

C(T) - 2.0 Hdiamond(298.15 K) -3 (298.15 K) =


21463.0 + 28.5 + 2.0 GHSERsi + GHSERy

Phase Si 2 YR

G(T) - 2.0 //,o,diamond (298.15 K) HYMcp-A J (298.15 K) =


219201.0 + 31.5 + 2.0 GHSERS + GHSERy
System Si-Y 275

Phase Si 3 Y 5

G(T)- 3.0 tfs'diamond(298.15 K) 5.0 ~3(298.15 K) =

588000.0 + 76.0 + 3.0 GHSER S + 5.0 GHSERy

Phase Si 4 Y 5

G">(T)4.0 #si diamond (298.15 ) 5.0 -3(298.15 ) =

- 697950.0 + 86.72688 + 4.0 GHSER Si + 5.0 GHSERy

Phase SiY

C(T) - Ii;f""nond(298.15 K) - tfY'hcp_>43(298.15 ) =

- 160700.0 + 19.8 + GHSER si + GHSERy

Phase S i 5 Y 3 - H

C(T)- 5.0 tfs0i'diamond(298.15 K) - 3.0 // Y ' h c p - 4 3 (298.15 K) =

- 601572.0 + 76.0 + 5.0 GHSER si + 3.0 GHSERy

Phase S i 5 Y 3 - R

C(T) - 5.0 #si diamond (298.15 K) Phase bcc,42


- 3.0 Hy Mcp A3
~ (298.15 K) =
0 c A2 - 607356.0 + 84.0 + 5.0 GHSER si + 3.0 GHSERy
L^ = 80

Phase hcp,43

Ls-^PA3 = 80

Phase liquid

o,iiquid = _ 212656.12 + 25.83471

Uiquid _ 13977.0831.08941

Z, 2 :'7 id = 62049.23 50.31476


276 Thermochemical Database for Light Metal A lloys

26O0 I I ' ' I I I I L

2260 Liquid

i 2000

O 1750

CO 1500
>
Q 1260
*- diamond bcp-A 3 "
Q)
I 1000

750

SI S Y,R
600 1 r^ 1r 1 1 1
0.0 0.1 02 0.3 0.4 0.6 . 0.7 0.8 0.9 1.0

Si

T a b l e I Invariant Reactions.

Reaction Type Compositions x Y T/K

Liquid r i diamond + Si 2 YR Eutectic .122 .000 .333 1485.3


Si 2 YR r i Si 2 YH Polymorphic .333 .333 1523.0
Liquid + S5Y3H r i Si 2 YH Peritectic .244 .375 .333 1793.2
Liquid + SiY r i S15Y3H Peritectic .335 .500 .375 1915.3
SiY r i Liquid Congruent .500 .500 2108.0
Liquid r i SiY + S4Y5 Eutectic .518 .500 .556 2107.0
S4Y5 r i Liquid Congruent .556 .556 2114.5
Liquid r i S4Y5 1 S3Y5 Eutectic .567 .556 .625 2113.9
S3Y5 r i Liquid Congruent .625 .625 2132.0
Liquid ? i S13Y5 + hcp,43 Eutectic .913 .625 1.000 1527.9
hcp,43 r i bccA2 Allotropie 1.000 1.000 1752.0
Si 5 Y 3 R ? i Si 5 Y 3 H Polymorphic .375 .375 723.0
System Si-Y 277

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Si-Y (Si) C(diamond) cF8 M 8


FdZm

(Y) Mg hP2 M 2
P6/mmc

(Y) W cI2 M 2
ImZm

Si2Y-Q A1B2 hP3 designated as


P6/mmm Si 2 Y-R

Si2Y-/? Si2Th 0II2 designated as


Imma Si 2 Y-H
Gd 2 Si 3 -type in [91V 1]

S3Y5 Mn 5 Si 3 hP16 Si 6
P6i/mcm Y, 4
Y2 6

S4Y5 S4Y5 tP36 Si, 8


P4i2i2 Si2 8
Zr, 4
Zr2 8
Zr3 8

Si 5 Y 3 -o A1B2 hP3 Si 2 designated as


P6/mmm Y 1 S5Y3-R

S5Y3-/3 ThSi 2 designated as


Si 5 Y 3 -H

SiY CrB 0C8 Si 4


Cmcm Y 4
278 Thermochemical Database for Light Metal Alloys

System SiZn

Solution Phases:

Liquid, diamond, hcp-Zn

Modelling:

Liquid Substitutional, Redlich-Kister


diamond Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister

Assessor and D a t e :
M. Jacobs 1993

T h e r m o d y n a m i c properties of t h e solution phases (J.mol ')

P h a s e diamond
- O,diamond
J
Si,Zn = 100

P h a s e hepZn

LO,hcp-Zn
Si.Zn 80

P h a s e liquid

LO,liquid
Si.Zn 7829.25
I Jiquid
L Si.Zn 3338.18
2,liquid
kSi.Zn 891.33
System Si-Zn 279

J I I I I I I L

1900-

1700. Liquid

700-
hcp-Zn "
600 I I I I I I I I I
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0

S Xzr, > Zn
Table I Invariant Reactions.

Reaction Type Compositions xzn

Liquid r i diamond + hcpZn Degenerate 1.000 .000 1.000 692.1

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

SiZn (Si) diamond cF8


Fd3m

(Zn) Mg hP2
P&i/mmc
280 Thermochemical Database for Light Metal A lloys

System SiZr

Solution Phases:
Liquid
Compounds:
Si 2 Zr, Si 2 Zr3, Si 3 Zrs, S4Zrs, SiZr, SiZr 2 , SiZr 3
Modelling:

Liquid Substitutional, RedlichKister


Si2Zr Stoichiometric (Si) 2 (Zr)
Si 2 Zr 3 Stoichiometric (Si) 2 (Zr) 3
Si 3 Zr 5 Stoichiometric (Si) 3 (Zr) 5
SUZr5 Stoichiometric (Si)4(Zr) 5
SiZr Stoichiometric (Si)(Zr)
SiZr2 Stoichiometric, (Si)(Zr) 2
SiZr 3 Stoichiometric (Si)(Zr) 3

Assessor and Date:


C. Gueneau, C. Servant, I. Ansara, and N. Du
Publication:
Calphad, 18, 3, 319327 (1994)

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase liquid

L;liuid = 190000.0 + 16.8955


r l.liquid
^Si.Zr 14.52575

Phase Si2Zr

C(T) - 2.0 //s'diamond(298.15 ) ^~3 (298.15 ) =


189332.0 + 354.937 63.16867 7.6774503 2
1.97204811 3 + 139751.1 ~
System Si-Zr 281

P h a s e SiZr

C(T) - //s' diamond (298.15 K) H^cp~A 3(298.15 K) =


182203.4 + 258.514 - 45.18631 4.39386503 2
+ 5.4969911 3 + 148517.5 1

P h a s e Si 4 Zrs

G(T) - 4.0 tfs;diamond(298.15 ) 5.0 fl.hcp_'*3 (298.15 ) =


880743.11 + 1433.658 240.256 0.0109481 2
+ 6.59118307 3 + 2006425 ~

P h a s e Si 2 Zr 3

G"() - 2.0 /Ys;diamond(298.15 ) 3.0 H^cp~A 3 (298.15 ) =


493990.62 + 844.448 140.103 0.003701 2
+ 1.02833307 3 + 1167755 " 1

Phase Si 3 Zr 5

G'() - 3.0 tfs0;diamond(298.15 ) 5.0 ffhcp>,3(298.15 ) =


685146.78 + 1044.78 187 0.0161754 2
+ 5.2228308 3 + 381210 " 1

P h a s e SiZr 2

C(T) - Hf'&mond(298.15 ) 2.0 7/|* cp>13 (298.15 ) =


255317.83 + 411.767 - 72.43244 - 5.4617703 2
4.044263309 3 + 306730.45 " 1

P h a s e SiZr 3

C(T) - /7s;diamond(298.15 ) 3.0 //^ h c p / 1 3 (298.15 ) =


270398.16 + 457.33 82.328 - 0.0263963 2
+ 1.5432606 3 34700 " 1
282 Thermochemical Database for Light Metal A lloys

3000- J L

2750^ Liquid
2600-
i
2260-

2000


*->
1760-^

CL 1500- bcc-^4 2
1250-jj - - diamond

\-
1000-
g E
750- hcp-A 3 r

500 I 1 ^ 1 1 I " 1 1
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
Si x* - Zr

Table I - Invariant Reactions.

Reaction Type Compositions *Zr /

Liquid # diamond + Si2Zr Eutectic .073 .000 .333 1634.6


Liquid + SiZr r* Si2Zr Peritectic .170 .500 .333 1900.3
Liquid + Si^Zrr, r i SiZr Peritectic .463 .555 .500 2477.0
Liquid + S4Zr5 r i Si 2 Zr 3 Peritectic .629 .555 .600 2491.5
Liquid + Si2Zr3 r i SisZrs Peritectic .677 .600 .675 2455.4
Liquid + Si3Zr5 r i SiZr2 Peritectic .803 .625 .666 2200.0
Liquid + SiZr2 r i SiZr3 Peritectic .886 .666 .750 1927.4
Liquid r i SiZr3 + bcc,42 Eutectic .916 .750 1.000 1814.2
hcp,43 r i bccA2 Allotropie 1.000 1.000 1139.4
S3Zr5 r i Si2Zr3 + SiZr2 Eutectoid .625 .600 .666 2025.2
Liquid r i Si4Zr.ii Congruent .556 .556 2527.0
System Si-Zr 283

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Si Zr (Si) diamond cF8 M 8


FdZm

(Zr) Mg hP2 M 2
P63/mmc

(Zr) W cI2 M 4
ImZm

SiZr-Cr BFe 0P8 Si 4 transformation not


considered

SiZr-/? BCr 0C8


Cmcm Zr 4

SiZr2 Al2Cu tI12 Si 8


14/mcm Zr 4

SiZr3 PT3 tP32


P4i/n

Si2Zr Si2Zr 0CI2 Si, 4


Cmcm Si2 4
Zr 4

Si 2 Zr 3 Si 2 U 3 tPIO
P4/mbm

Si3Zr5 Mn 5 Si 3 hP16 Si 6
P(h/mcm Zr, 4
Zr2 6

S4Zr5-a S4Zr5 IP36 Si, 8 transformation not


P4i2i2 Si2 8 considered
Zr, 4
Zr2 8
Zr3 8

S4Zr5-/3 Si 4 Zr 5
284 Thermochemical Database for Light Metal Alloys

System Sn-Ti

Solution Phases:
Liquid, bcc-,42, hcp-,43, bct-,45

Compounds:
Sn 5 Ti 6 , Sn 3 Ti 5 , SnTi 2 , SnTi 3
M o d e l l i n Si

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
bct-,45 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
SnTi 3 Sublattice model: (Sn,Ti)(Sn,Ti) 3
Sn 5 Ti 6 Stoichiometric, (Sn) 5 (Ti) 6
Sn 3 Ti 5 Stoichiometric, (Sn) 3 (Ti)s
SnTi 2 Stoichiometric, (Sn)(Ti) 2

Assessor a n d D a t e :
F. Hayes, 1992

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s ( J . m o l ')

Phase bcc-,42
rO,bee-A2
L,
Sn,T<:0 = - 115000.00 + 6.77583
rl,bec-,42
^Sn,Ti:0 = 45000.00 + 1.58018
Phase bct-,45
r0,bct-,45
^Sn.Ti = 50000.0
Phase hep A3
rO.hcp A3
^Sn.TiiO = - 111502.08 + 1.8068
j 1,hep-.43
^Sn.TliO = 43871.41 + 2.08175
System S n-Ti 285

Phase liquid

L*?d = - 90206.13 5.55089

L$d = 44395.59 6.09746

Phase SnTi 3

C(T) - 4.0 H^ct'A S (298.15 K) = G(Sn:Sn) =


4.0 GHSERsn
C(T) - //sbct"'45(298.15 K) 3.0 H^cp-A 3(298.15 K) = G(Sn:Ti) =
193466.8 + 35.74052 T + GLIQSn + 3.0 GLIQTi
C(T) - 3.0 H*ct-M(298.15 ) ffT;hcp_i43(298.15 K) = G(Ti:Sn) =
300000 200 T + 3.0 GLIQSn +GLIQTi
C(T) 4.0 rYT'ihcp_/13(298.15 K) = G(Ti:Ti) =
4.0 GHSERTi

s'n:Sn,TI = 400000 40.0 T

^j!f = 600000 + 40.0 T

t & = 400000

^.! = 200000 108.000 T


Phase SnTi 2

C(T) - H^ct~A l'(298.15 K) 2.0 H^cp~A 3(298.15 K) =


152700.00 + 26.80539 T+ GLIQSn + 2.0 GLIQTi

Phase Sn 3 Ti 5

C(T)- 3.0 //snbct"'15(298.15 K) 5.0 //;hcp^3(298.15 K) =

398000.00 + 64.8 T + 3.0 GLIQSn + 5.0 GLIQT,

Phase Sn 5 Ti 6

C(T) 5.0 H^ct'M(298.15 K) 6.0 H^cp-A 3(298.15 K) =


525800.00 + 77.0 T + 5.0 GLIQSn + 6.0 GLIQTi
286 Thermochemical Database for Light Metal A lloys

1900

Sn , Ti

Table I Invariant R e a c t i o n s .

Reaction Type Compositions *Ti

bcc,42 + SnTi 3 r i hcp,43 Peritectic .913 .750 .912 1163.3


Liquid r i SnTis I bcc,42 Eutectic .828 .777 .846 1879.8
SnT3 r i Liquid Congruent .750 .750 1947.0
Liquid + SnTi 3 r i SnTi 2 Peritectic .659 .750 .667 1835.9
Liquid + SnTi 2 ^ + Sn 3 Ti 5 Peritectic .589 .667 .625 1774.7
Liquid r* Sn 5 Ti 6 + Sn 3 Ti 5 Eutectic .561 .545 .625 1746.9
SnsT6 r i Liquid Congruent .545 .545 1750.0
Liquid r i bct,45 + SnsTie Degenerate .001 .000 .545 504.8
System Sn-Ti 287

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Sn-Ti (Sn) 0-Sn 114 M 2


4i/amd

(Ti) Mg hP2 M 2
P6/mmc

(Ti) W c2 M 2
ImZm

Sn5Ti6-C( Nb 6 Sn 5 0I44 transformation not


Immm3 considered

Sn5T6-/J hP22 Sn 3
P&i/mmc Ti 6

Sn3T5 Mn 5 Si 3 hP16 Sn 6
Pb\/mcm Ti 4

SnTi 2 InNi2 hP6


P6z/mmc

SnT 3 Ni3Sn hP8 Sn 2


P&i/mmc Ti 6
Si, 4
Si2 8
288 Thermochemical Database for Light Metal Alloys

System SnZn

Solution Phases:
(stable) Liquid, bct-,45, hcp-Zn
(metastable) bcc-,42

Modellin SI

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
bct-,45 Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister

Assessor and Date:


S. Fries, and H.L. Lukas
Publication:
"Cost507 New Light Alloys", Leuven Proceedings,
Ed. G. Effenberg (1991)

T h e r m o d y n a m i c properties of t h e solution phases (J.mol ')

Phase bct-,45

rO,bct-,45
^Sn.ZniO 6514.76 + 25.70957

P h a s e bcc-,42

r 0,bcc-,42 _
J
Sn,Zn:D 6514.76 + 25.70957

P h a s e hepZn

O.hcpZn
Sn,Zn:D 33433.94 - 11.14466

P h a s e liquid

O.liquid
Sn.Zn 19314.64 - 75.89939 + 8.751396 InT

r 1,liquid
^Sn.Zn - 5696.28 + 4.20198

L 2,liquid
Sn.Zn 1037.22 + 0.98362
System Sn-Zn 289

Sn Xzn -* Zn

Table I - Invariant Reactions.

Reaction Type Compositions xzn 7/ K

Liquid ?i bct-,45 + hcp-Zn Eutectic 0.135 .006 1.000 471.7

Table II - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Sn-Zn (Sn) 0-Sn tI4


4i/amd

(Zn) Mg hP2
P63/mmc
290 Thermochemical Database for Light Metal Alloys

System Sn Zr

Solution P h a s e s
Liquid, bcc-,42, bct-,45, hcp-,43

Compounds:
SnZr4, Sn 3 Zr5, Sn 2 Zr

Modellin S

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
SnZr 4 Stoichiometric, (Sn)(Zr) 4
Sn 3 Zr 5 Stoichiometric, (Sn) 3 (Zr) 5
Sn 2 Zr Stoichiometric, (Sn) 2 (Zr)

Asessor a n d d a t e :
J. Korb, and K. Hack, GTT, Germany (1996).

T h e r m o d y n a m i c properties of t h e solution and c o m p o u n d phases (J.mol ')

Phase liquid

0,Sn.Zr
liquid
- 45520 - 95.46

1,Liquid
^Sn.Zr -80000 + 82.115

r 2,Liquid
^Sn.Zr - 120000 + 80.0273

Phase becA2
0,bcc-,42
Sn,Zr:G - 101200 - 71.13

1,bcc-,42
Sn.ZriO 55000

2,bcc-/12
Sn,Zr:D 26102.3
Sysfem Sn-Zr 291

Phase hcp-A3
rO,hep-A3
^Sn.ZriG = - 160000 --31 T

r l.hrp.43
^Sn.ZriO = 151800

r 2 ,hcp-.43
' v Sn,Zr:D = 129900

P h a s e SnZr 4

G(T) - II^ct-A5(298.15 K ) - 4.0 ffhcp-'43(298.15 K) =


- 270456.8 + 602.125 T - 123.0 T InT - 0.00883 T2

Phase Sn3Zr5

G"(T) - 3.0 H'c,-Ab(298.15 K) - 5.0 tfhcp_/lJ(298.15 K) =


-769380 + 1131.86 T-217.118 T-InT - 0.02404 T2
+ 1648000 T" 1

Phase Sn2Zr

C(T) - 2.0 H^ct'A5 (298.15 K) - H^*" (298.15 K) =


- 267104.8 + 492.1 T - 86.404 T InT - 0.002226 T2
+ 618000 T" 1

2800

Sn ^Zr Zr
292 Thermochemical Database for Light Metal Alloys

Table I - Invariant R e a c t i o n s .

Reaction Type Compositions *Zr T/K

Liquid r^ bcc-,42 + Sn 3 Zrs Eutectic .892 .844 .625 1868.5


bcc-,42 + Sn 3 Zr 5 r SnZr4 Peritectoid .891 .625 .800 1595.5
bcc-,42 + SnZr., r^ hcp-,43 Peritectoid .968 .800 .941 1254.0
Liquid + Sn3Zr5 ?=* Sn2Zr Peritectoid .189 .625 .333 1433.3
Liquid r^ Sn2Zr + bct-,45 Eutectic .0056 .333 .000 502.0
Liquid r^ Sn3Zr5 Congruent .625 .625 2245.0

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Sn-Zr (Sn) /J-Sn tI4 M 2


14i/amd

(Zr) Mg hP2 M 2
P&i/mmc

(Zr) W cl2 M 2
ImZm

SnZr.i Cr3Si cP8


PmZn

Sn 3 Zr 5 Mn5S3 hP16
Pfk/mcm

Sn2Zr ST2 oF24


Fddd
System Ta-Ti 293

System Ta-Ti

Solution Phases:
(stable) Liquid, bcc-,42, hcp-,43
(metastable) bcc-B2, fcc-Al

Compounds:
(metastable) A1M-D0,9, A1M-D022, AlTi-Lln

Modellin S

Liquid Substitutional, Redlich-Kister


bcc-,42 see below
bcc-52 Sublattice model, (Ta,Ti) 0 .5(Ta,Ti)o.5(0) 3
The thermodynamic description of the bcc-B2 takes
into account the ordering reaction bcc-,42 r^ bcc-B2.
Two descriptions are given: one using equations
23 and 27, the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
tec-Al Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
A1M-D0,9 Sublattice model, (Ta,Ti)(Ta,Ti) 3
MM-DO22 Sublattice model, (Ti) 3 (Ta,Ti)
AlTi-Llo Sublattice model, (Ta,Ti)(Ta,Ti)

Assessor and Date:


N. Saunders, 1997.

T h e r m o d y n a m i c properties of the solution phases ( J . m o l ')

Phase f c c - A l

L%A1 = 8500

Phase hcp-,43

r 0,hcp-/t3
J
Ta,Ti:0 8500
294 Thermochemical Database for Light Metal A lloys

Phase liquid

Lj^d = 1000

L^qT";d = 7000

Phase A1MD0 l9

C(T) - 4.0 H^CC~A 2 (298.15 K) = G(Ta:Ta) = 4.0 GHCPTa


C(T) - 3.0 Hj}cc-A 2(298.15 K) tfT;hcp_/,3(298.15 K) = G(Ta:Ti) =
6376 + 3.0 G H C P T * + GHSERji
C7(T) Hj*cc-A 2(298.15 K) 3.0 ^; hcp 43 (298.15 K) = G(Ti:Ta) =
6376 + GHCPTa + 3.0 GHSERTi
G"(T)- 4.0 A'Thcp~A3(298.15 K) = G(Ti:Ti) = 4.0 + 4.0 GHSERTi
r0,AIMD0|9 _ r0,AlMD0,9 _ i n i 08
^Ta.TirTa ~ ^Ta.TilT ~ 110

r0,AlMD0|9 rO,AlMDO,9 01 OQ
z i z
^TaiTa.T ^ThTa.Ti

Phase A1MD0 22

G(T) - H^CC'A 2(298.15 K) 3.0 //Thcp_/43(298.15 K) = G(Ti:Ta) =


GFCCTa + 3.0 GFCCT,
C(T) - 4.0 tfT;hcp_/43(298.15 K) = G(Ti:Ti) = 4.0 GFCCT

Phase AITiLl 0

C(T) - 2.0 //T.bccy,2(298.15 K) = G(Ta:Ta) = 2.0 GFCCTa


C(T) - H?cc-A 2(298.15 K) /YThcp43(298.15 K) = G(Ta:Ti) =
4250 + GFCCTa + GFCCT
G(T) - H^cc-A 2(298.15 K) tfT;hcp_/l3(298.15 K) = G(Ti:Ta) =
4250 + GFCCTa + GFCCT
C(T) - 2.0 tfT;hcp'43(29S.15 K) = G(Ti:Ti) = 2.0 GFCCTi
rO,AITiLlo rO,AITiI0 AOKCi
_ 4
^Ta.T^Ta ^TarTa.T 0 U

f O,AITiLlo _ r O,AITiLlo _
4
^Ta.TiiTi ^TizTa.T 0U

Phase bcc-,42

LT^T7D2 = 12000

L^~A2 = - 2500
System Ta-Ti 295

Phase bccB2

2 5 0 0
C T i : T a:G =
QC A 2
C(T) - H^ - (298.15 K) = G(Ta:Ta:G) = 0.0
C(T) - 0.5 Hgcc-A 2(298.15 K) 0.5 //TJ,cp"/,3(298.15 K) = G(Ta:Ti:D) = GTa.Ta
C(T) - 0.5 r/ T r C_/,2 (298.15 K) 0.5 H^cp~A 3 (298.15 K) = G(Ta:Ti:) = GTi:Ta:D
C(T) r/T;hcp^(298.15 K) = G(Ti:Ti:G) = 0.0
rO,bccS2 rO.bcc82 .
^Ta.TirTaiG ^Ta,Ti:Ti:D ~ ''TiiTatG
rO,bccS2 _ rO,bccB2 _
s~i.
U
^TaiTa.TiiG ^TitTa.TiiG Ti:Ta:G

Phase bccS2

GTi:Ta:D = 2500

G(T) - HCC-A 2(298.15 K) = G(Ta:Ta:D) = 0.0

C(T) - 0.5 7 T ; b c c _ ' 4 2 ( 2 9 8 . 1 5 K ) 0 . 5 r/ T ; h c p "" 3 (298.15 K) = G(Ta:Ti:D) 2.0 GTi:Ta:D

G(T) - 0.5 H^cc-A 2(298.15 K) 0.5 tfT;hcp43(298.15 K) = G(Ti:Ta:D) = 2.0 G T i : T a ; D

G"(T) f/ T ' i h c p ' , 3 (298.15 K) = G(Ti:Ti:D) = 0.0

Phase bcc,42

Ta^TiTG42 = 12000

L^-rf2 = 2500
296 Thermochemical Database for Light Metal Alloys

3500 J I L J L

Ta Ti

Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Ta-Ti (V) W eI2


ImZm

(Ti) Mg hP2
P&s/mmc

(Ti) W cI2
ImZm
System Ti-V 297

System T i - V

Solution Phases:
Liquid, bcc-,42, hcp-,43
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor and D a t e :
N. Saunders (1990)

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase bcc-,42

r0,bcc-,42
^, : = 10500 - 1.5
r l,bcc->t2
^Ti.ViD = 2000
r2,bcc-,42
^Ti.ViG = 1000

Phase hcp-,43

-O.hcp-,43
-^Ti.VlD 20000

Phase liquid

0,liquid
ru.i
^ TTi,V
i.V
1400

r 1,liquid
l .lien 4100
^Ti.V
298 Thermochemical Database for Light Metal A lloys

2500 J I I I I I I I L

2300
Liquid
2100

^ 1900

2 1700
=3
<J 1500
L. bccA 2
O
Q_ 1300
E
o noo
r

900
500
700

Ti
Table I Invariant Reactions.

Reaction Type Compositions xy

bcc,42 r^ Liquid Congruent 0.333 0.333 1881.0

Table II C rystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol


Space Group

TiV (Ti) Mg hP2


P63/mmc

(Ti) W cI2
ImZm

(V) W cI2
ImZm
System Ti-W 299

System T i W

Solution Phases:
(stable) Liquid, bcc,42, hcp,43
(metastable) : b c c 2 , fccAl

Compounds:
AIMDO.9, AlTiLlo
(metastable)

Modelling:
Substitutional, RedlichKister
Liquid see above
bccA2 Sublattice model, (Ti,W) 0 . 5 (Ti,W) 0 . 5 (a) 3
bccB2 The thermodynamic description of the bccB2 takes
into account the ordering reaction bccA2 # bcc? 2.
Two descriptions are given: one using equations
23 and 27, the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
fccAl Substitutional, RedlichKister
hcpA3 Substitutional, RedlichKister
A1MD09 Sublattice model, (Ti,W)(Ti,W) 3
AlTiLlo Sublattice model, (Ti,W)(Ti,W)

Assessor and Date:


N. Saunders, 1997.

T h e r m o d y n a m i c properties of the solution phases (J.mol ')

Phase f c c A l
rO.fcc QQQOC:
Ti WG OOOZO

Phase h c p A 3

L O,hep 3 .77,
Ti,vv:G = 35774
300 Thermochemical Database for Light Metal A lloys

Phase liquid

".li^id = 28392

Llrf$id = 4282
Phase A1MD0,9
hcp_y,3
G(T) - 4.0 tfT; (298.15 K) = G(Ti:Ti) = 4.0 + 4.0 GHSERTi
C(T) - 3.0 //Thcp"3(298.15 K) H^hcc-A 2 (298.15 K) = G(Ti:W) =
26832 + 3.0 GHCPw + GHSERTi
C(T) - //T;hcp43(298.15 K) 3.0 tfwbcc_/l2(298.15 K) = G(W:Ti) =
26832 + GHCPw + 3.0 GHSERTi
C(T) - 4.0 //^bcc_>l2(298.15 K) = G(W:W) = 4.0 GHCPW
rr 0 , A !l M D 0 , 9 r O , A I M D r0 1 9 onAQO
v
,r; w.Ti
Ti,W:Ti W
^ T ;i . W
w iw
Wi oUiy

rO,AIMD0i9 _ rO,AlMD0ls _
^TiiTi.W ^W.Ti.W OHHt

Phase AlTiLl 0
hcp_ 43
G(T) - 4.0 //T; ' (298.15 K) = G(Ti:Ti) = 2.0 GFCCTi

G(T) - /YT;hcp/43(298.15 K) //wbcc_'42(298.15 K) = G(Ti:W) =


4250 + GFCCT + GFCCW
C(T) - H^cp~A 3(298.15 K) ffwbcc/t2(298.15 K) = G(W:Ti) =
4250 + GFCCT + GFCCW
C(T) - 2.0 // w bcc 42 (298.15 K) = G(W:W) = 2.0 GFCCw
rO,AlTiLlo rO,AITiLl0
^T.WIT ^ThTi.w loaii

rO.AITiLlo _ rO,AlTilo _ 1 fini 4


^Ti,W:W ^W:Ti,W 0311

Phase bccA2
2
L%w7o = 3957+13.033 T

L^;aA2 = 106404.464 T
Phase bccL? 2
GT:W:0 0
C(T) - H^cp-A 3(298.15 K) = G(Ti:Ti:D) = 0.0
C(T) - 0.5 H^cp~A 3 (298.15 K) 0.5 ^~2 (298.15 K) = G(Ti:W:G= GTi:W:D
C(T) - 0.5 /V T r p 43 (298.15 K) 0.5 tfwbcc_/,2(298.15 K) = G(W:Ti:D) = GTi:W:D
C(T) - //wbcc"'42(298.15 K) = G(W:W:0) = 0.0
rO,bccB2 rO,bccB2 .
^Ti.WiWiG ^Ti,W:Ti:0 ^TiiWiQ
rO,bccB2 rO,bccB2 /-,.
^W:Ti.W:G ^TirTi.WiG ""TiiWrQ
System Ti-W 301

Phase bccB2

GT:W:G = 0

C(T) - Htfcc~A 2(298.15 K) = G(W:W:G) = 0.0

G"(T) - 0.5 i/ w bcc_ ' 42 (298.15 K) 0.5 f/ T ' i hcp 43 (298.15 K) = G(W:Ti:D) = 2.0 G Ti:W:G

G ( T ) 0 . 5 f/ w b c c 4 2 (298.15K)0.5 r/ T ; hcp 43 (298.15 K) = G(Ti:W:D) == 2.0 G Ti:W:Q

G(T) - //T'ihcp,3(298.15 K) = G(Ti:Ti:D) = 0.0

Phase bcc,42

L
Tlw7a2 = 3957+13.033

L
Tw7a2 = 106404.464

4000 J I I I I I I I L

3500-

3000-

2500-

Ti Xw > w
302 Thermochemical Database for Light Metal Alloys

Table I - Invariant Reactions.

Reaction Type Compositions ryvi / K

hcp-,43 bcc-,42' r^ bcc-,42" Monotectoid .002 .645 .095 1019.5

Table II Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol


Space Group

Ti-W (V) W cI2


ImZm

(Ti) Mg hP2
Pfk/mmc

(Ti) W cI2
ImZm
System V-Zr 303

System VZr

Solution Phases:
Liquid, bccA2, hcpA3

Compound:
V 2 Zr

Modelling:

bccA2 Substitutional, RedlichKister


hcpA3 Substitutional, RedlichKister
Liquid Substitutional, RedlichKister
V 2 Zr Sublattice model, (V) 2 (Zr)

Assessor and D a t e :
J. Korb, and K. Hack, GTT, Germany (1995).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase V 2 Zr
ro,bcc A2 /
C(T) - 2.0 HyDCC~A i (298.15 K) H?^cp~A (298.15 K) =
63100 + 26.83 T + 2.0 GLIQv + GLIQZr

Phase liquid
O.liquid _ _ 2 3 9 8 6 + 19 3 3 8

.liquid _ _ 2058.35 + 3.289 T

Phase b c c A 2

,' 42 = 21876 + 7.76081 T

L\jb-A2 = 8995.72 - 0.8968 T

Phase h c p - A 3

Ly^p-A3 = 29007 - 7.2944 T


304 Thermochemical Database for Light Metal Alloys

2500

2300-

2100

1900



700-
3
+- 1500-
<0
L_
d) 1300-
Q.
E 1100-


900-
-

700-

600

Zr
Table I - Invariant R e a c t i o n s .

Reaction Type Compositions i z r /

DCC-.42 +Liquid ^ V2Zr Peritectic .046 .494 .333 1552.7


Liquid ? V2Zr + bcc-AI Eutectic .548 .333 .839 1510.2
bec- V2Zr + bep-AZ Eutectoid .927 .333 .959 1062.9

Table II - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

V-Zr (V) W cI2


ImZm M 2

(Zr) Mg hP2 M 2
P63/mmc

(Zr) W cI2 M 4
ImZm

V2Zr Cu 2 Mg cF24 M, 8 Laves-C15


FdZm M2 16
TERNARY SYSTEMS
Sysfem Al C-Si 307

System AlCSi

Ternary Solution Phases:


Liquid, fcc-Al
Ternary Compounds:
AI4SC4, Al 8 SiC 7
Quasi-binary phase:
(Al,Si) 4 C 3
Modelling:

Liquid : Substitutional, Redlich-Kister


fcc-Al Substitutional, Redlich-Kister
AI4C3 Quasi-binary, (Al,Si)4(C)3
AI4SC4 (Al) 4 (Si),(C)4
Al 8 SiC 7 (Al) 8 (Si),(C) 7

Comments:
Liquid and fcc-Al phases assumed to be ideal
Al and Si behave ideally in the AI4C3 phase
No ternary compounds
Assessor and Date:
J. Grbner, H. L. Lukas, and F. Aldinger.
Publication:
Calphad 20, 2 (1996) 247-254.

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase AI4SC4
C(T) - 4.0 //'|fcc"'4I(298.15 K) - 4.0 /Y'graphite(298.15 K) - //s;diamond(298.15 K)
- 380700.0 + 1233 T - 193.902723 T InT - 0.017517573 T2
+ 3240000 T" 1 + 9E-07 T3
Phase Al 8 SiC 7
C(T) - 8.0 HA- ~ (298.15 K) - 7.0 //'graphite(298.15 K) - /Y;diamond(298.15 K)
cc Al

-686400.0 + 2212.8 T-344.434112 T InT - 0.04544832 T2


+ 5680000 T" 1 + 3.2E-06 T 3
308 Thermochemical Database for Light Metal Alloys

Table I - Crystal S t r u c t u r e and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Al-C-Si (Al) Cu cF4 M 4


FmZm

(C) graphite

(Si) diamond cF8


Fd3m

AI4S1C4 A15C3N hP18


P63 mc

AlgSiC7 hP16

(Al,Si)4C3 AI4C3 hP7


3m
System A TCu-Li 309

System AlCuLi

Ternary Solution Phases:


Liquid, fccAl, bccA2

Ternary C ompounds:
AlCuLiR, AlCuLiTl, AlCuLiT2, AlCuLiTB

Modelling:

Liquid Substitutional, RedlichKister


bccA2 Substitutional, RedlichKister
fccAl Substitutional, RedlichKister
AlCuLiR Stoichiometric, (Al)0.55(Cu)0.ii7(Li)o.333
AlCuLiTl Stoichiometric, (Al)o.5(Cu)o.25(Li)0.25
AlCuLiT2 Stoichiometric, (Al)o.57(Cu)0.1i(Li)o.32
AlCuLiTB Stoichiometric, (Al)0.6o(Cu)o.32(Li)0.o8

Assessor and Date:


N. Saunders, 1994.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A l C u L i R
0 55 f{JccA
~ lfr>r\o
(298.15 X/\
o 1 17 H^rj,fee-
1 e K)
0.117 C AA l
~ ' (298.15 K)
C(T) 'Al
bcc
0 . 3 3 3 //,; ^(298.15 K) = G(Al:Cu:Li) =
20983.0 + 6.0 + 0.55 GHSER A , + 0.117 GIISRR C
+ 0.333 GHSERu

Phase A l C u L i T l

C(T)- 0.5 //ifcc~'41(298.15 K ) 0 . 2 5 /7 u ' cc /1, (298.15 K)


" b ^ ! (298.15 K) = G(ALCu:Li) =
n or //
0.25
24560.0 + 6.0 + 0.25 G H S E R A I + 0.25 GHSER Cu
+ 0.25 GHSERy
310 Thermochemical Database for Light Metal A lloys

Phase AlC uLiT2

C(T) - 0.57 #ifcc/ll(298.15 ) H^A (298.15 )


0,bccy42
0.32 tf, (298.15 ) = G(Al:Cu:Li) =
20000.0 + 5.497 + 0.57 GHSERAI + 0.11 GHSERc
+ 0.32 GHSERu

Phase AlC uLiTB

C(T) - 0.60 HJCC-M (298.15 ) 0.32 Hccc~M (298.15 )


o.bcc-,42
0.08 /, (298.15 ) = G(ALCu:Li) =
- 19918.0 + 4.0 + 0.60 GHSERAI + 0.32 GHSERC
+ 0.08 GHSERu

Table I Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Al-Cu-Li (Al) Cu cF4 M 4


FmZm

(Cu) Cu cF4 M 4

(Li) W cI2 M 2
ImZm

Al 7 . 5 Cu 4 Li CaF 2 cF12 AlCuLi-TB


FmZm

Al 2 CuLi Al2CuLi hPlI AlCuLi-Tl


P6/mmm

Al6CuL3 AICuLi-T2
quasicrystal

Al 5 CuLi 3 Mg 23 (Zn,AL 9 e 1161 AlCuLi-TR


ImZ
System Al-Cu-Mg 311

System A l - C u - M g

Ternary Solution Phase s:


Liquid, fcc-Al, hcp-A3

Ternary Compounds:
Laves-Cl4, Laves-G15, Laves-C36, Q-Phase,
S-Phase, , V-Phase

Modelling:

Liquid Substitutional, Redlich-Kister


fcc-Al Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
Laves-C14 Sublattice model, (Al,Cu,Mg)(Al,CuMg) 2
Laves-G15 Sublattice model, (Al,Cu,Mg)(Al,Cu,Mg) 2
Laves-G36 Sublattice model, (Al,Cu,Mg)(Al,Cu,Mg) 2
Sublattice model, (Mg) 26 (Al, Mg) 6 (Al,Cu,Mg) 48 (Al)
Q-Phase Stoichiometric, (Al) 7 (Cu) 3 (Mg) 6
S-Phase Stoichiometric, (Al) 2 (Cu)(Mg)
V-Phase Stoichiometric, (Al) 5 (Cu) 6 (Mg) 2

Assessor and D a t e :
T. Bhler, RWTH , Germany, (1997).

T h e r m o d y n a m i c prope rtie s of the solution and c o m p o u n d phase s (J.mol ')

Phase Q - P h a s e

C(T)- 7.0 L/A, 1 (298.15 ) - 3.0 H^ucc-Al (298.15 )


- 6.0 H^hgcp-A3 (298.15 ) = G(Al:Cu:Mg) =
- 221500 + 18.46 + 7.0 GH SER A , + 3.0 G H S E R c
+ 6.0 GH SER Mg
312 Thermochemical Database for Light Metal Alloys

Phase Laves-G14
0,I.vr-C"14
Cu,Mg:AI 13011.35
0,Lve-Cl4
Cu:AI,Mg 8000
0,Lavee-C14
AI,Mg:Cu 15000
0,LaVM-C14
AhCu.Mg 6599.45
0,Lave-Cl4
AI,Cu:Mg - 224000 + 2.44

Phase Laves-Gl5
r0,LavM-C15
J
Cu,Mg:AI 13011.35
rO,Lv<!-C15
^CuiAI.Mg 8000
rO,Lavee-C15
^AI,Mg:Cu 15000
rO,Lves-C15
^AhCu.Mg 6599.45
rO,Lave-C15
'AI.CuiMg - 180000 - 1.615

Phase Laves-G36
0,Lave-C36
Cu,Mg:AI 13011.35
0,Lavce-C36
Cu:AI,Mg 8000
0,Lave-C36
AI,Mg:Cu 15000
0,Lave-C36
AI:Cu,Mg 6599.45
rO,LavM-C36
^AI,Cu:Mg - 227442 + 14.61

Phase S-Phase

C m - 2 . 0 HM
rO.fccA
'(298.15 ) - Hcc-M(298.15 )
>l3
- ffMg (298.15 K) = G(Al:Cu:Mg) =
63200 + 4.13 + 2.0 GHSERAI + GHSERc + GHSERMg
System A l-Cu-Mg 313

Phase VPhase

C(T)- 5.0 Lf A ' l fcc ' ll (298.15K)6.0 H^cc~A l (298.15 K)


2.0 //Mgcp~ (298.15 K) = G(Al:Cu:Mg) =
274527.45 + 13.0 + 5.0 GHSERAI + 6.0 GHSERc + 2.0
GHSERMg

Phase

G(T)7.0 HJcc-A l (298.15 K) 48.0 ^~(298.15 K)


26.0 H^hgcp-A 3(298.15 K) = G(Mg:Al:Cu:Al) =
23000 +440 + 7.0 GHSERA, + 48.0 GHSERCu
+ 26.0 GHSERMg
C(T) - HJCC-M(298.15 K) 48.0 / L ^ 0 4 1 (298.15 K)
32.0 //Mgp"'43(298.15 K) = G(Mg:Mg:Cu:Al) =
220000 +440 + GHSERA, + 48.0 GHSERCu
+ 32.0 GHSERMg
0MTg:AI:A,.Cu:A. = - 4649190 + 2261.86

MTg:Mg:A,,Cu:A, = " 4649190 + 2261.86

Mg:Mg:Cu,Mg:AI = "220000
314 Thermochemical Database for Light Metal Alloys

Table I - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Al-Cu-Mg (Al) Cu cF4 M 4


FmZm

(Cu) Cu cF4 M 4
FmZm

(Mg) Mg hPI M 2
P6a/mme

Laves-C14 MgZn2 hP\1 Cu 2


PGi/mmc Cu 6
Mg 4

Laves-C15 Cu 2 Mg cF14 Mg, 8


FdZm Cu 2 16

Laves-C36 MgNi2 hP14 Cu, 6


Pi/mmc Cu 2 6
Mg, 3
Mg2 3

AlnCu u Mg4 Mg 2 Zn,i cP39 V-phase


PmZ

Al7Cu3Mg6 c/96 Q-phase


Pm3

Al 2 CuMg BRe 3 0CI6 Cu 4 S-phase


Cmcm Mg 4
Al 8

(Al r Cu 1 _ I )4 9 Mg 3 2 Mg32(Al,Zn)49 c/163 Al, 1


Cu, 1
Mg 6
Al2 6
Ala 8
Cu 2 12
System Al Cu-Si 315

System Al-Cu-Si

Ternary Solution Phases:

Liquid, fcc-,41, bcc-/12, hcp-A3

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-,42 Substitutional, Redlich-Kister
fcc-,41 Substitutional, Redlich-Kister
hep-.43 Substitutional, Redlich-Kister

Assessor and Date:


T. Bhler, RWTH, Aachen, Germany, (1997).
Comments:
No coefficients for the ternary solution phases.
No ternary compounds.

Table I - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Al-Cu-Mg (Al) Cu cF4 M 4


FmZm

(Cu) Cu cF4 M 4
FmZm

(Si) diamond cFS M 8


FdZm
316 Thermochemical Database for Light Metal A lloys

System A l F e M n

Ternary Solution Phases:


Liquid, fcc/U, AlgMnsDSio
Quasibinary phases:
Al, 3 Fe4, Al 2 Fe, Al 5 Fe 2 , Al 6 Mn,AL,Mn, Al, 2 Mn
Modelling:

Liquid Substitutional, RedlichKister


Al5Fe4 Substitutional, RedlichKister
fcc Substitutional, RedlichKister
Al8Mn5L>8,o Sublattice model, (Al)| 2 (Mn)4(Al,Fc,Mn)io
Al 2 Fe Quasibinary, (Al) 2 (Fe,Mn)
Al 5 Fe 2 Quasibinary, (Al)s(Fe,Mn) 2
Al 13 Fe 4 Quasibinary, (Al).6 2 75(Fe,Mn). 2 3 5 (Al,0). I375
Al 4 Mn Quasibinary, (Al)4(Fe,Mn)
Al 6 Mn Quasibinary, (Al) 6 (Fc,Mn)
Al, 2 Mn Quasibinary, (Al), 2 Mn

Comments:
The data below are valid in the composition
range i M n < 0.25 (wt% Mn < 40.0) and
ZFe < 0.25 (wt%F(. < 40.0)
No ternary interaction coefficients for the liquid
phase. Interactions between Fe and Mn in
Al, 2 Mn,Al 2 Fe and Al 5 Fe 2 assumed to be ideal.
A s s e s s o r and D a t e :
. Jansson, and T.G. Chart (August 1997)

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s (J.mol ')

Phase f c c / U
0,fcc,41
L,
AI,F*,Mn:0 0.000

r ,fee41
^AI.Ft.MniO 63652

2.fee-Al
AI.Fr.Mn 26753
System A l-Fe-Mn _317

Phase Ali 3 Fe 4

I A I = 11987 + 6

LA:G = 11987 + 6

Phase 14
r ,,, _ infinn
^AlrFcMn ~ lUUUU

Phase Al 6 Mn

L'Sn = 32753 + 21 T

Phase Al 8 Mn 5 D8i 0

C(T) - 12.0 tfAfcc_yU(298.15 K) 10.0 r/F;bcc_'42'para(298.15K)


4.0 /VMcnbcc/llpara(298.15 K) =
632544.85 + 12.0 GHSERA) + 10.0 GHSERF<:
+ 4.0 GHSERMn
AiAMnMAFf8' = 457832.778
rO,AleMn5D8io i i i CQ i co
318 Thermochemical Database for Light Metal Alloys

Table I - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

Al-Fe-Mn (Al) Cu cF4 M 4


FmZm

(Fe) Cu cF4 M 4
FmZm

(Fe) W cl2 M 2
ImZm

oMn cr-Mn c58 cbcc-/11


/43m

/?-Mn /?-Mn cP20 cub-,413


P., ,32

AlFe CsCl cPI M, 1


PmZm M2 1

Al Fea BiF 3 cF\6 Al 4 not considered


FmZm Fe, 4
Fe2 8

Al2Fe Al2Fe aPIS


P\

Al3Fe mClul designated by


C2/m A1,3Fe4

Al 5 Fe 2 oC*
Cmcm

AL,Mn Al4Mn oKO


Pnnn

Al6Mn Al6Mn oCIS

Al, 2 Mn A1,2W c/26 not quoted in


ImZ [90Mas] metast.

AlgMnj AlgCrs 26 AlsMns-DOg


RZm
System ATFe-Si 319

System Al-Fe-Si

Ternary Solution Phases:


Liquid, fcc-Al, bcc-y42, bcc-Z?2
Quasi-binary phases:
AlFeSi-o, MFeSi-, AlFeSi-7, AlFeSi-7, Al 13 Fe 4
Modelling:

Liquid Substitutional, Redlich-Kister


Al5Fe4 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
bcc-A2 Substitutional, Redlich-Kister
bcc-B2 Sublattice model, (Al,Fe,Si)o.5(Al,Fe,Si)o.5(l=>)3
Al 13 Fe 4 Quasi-binary, (Al). 627 5(Fe). 235 (Al,Si,a) 1375
AlFeSi-a Quasi-binary, (Al)'.66i2(Fe).ig(Si).o496(Al,Si).o992
AlFeSi-/? Stoichiometric, (Al)i4(Fe) 3 (Si) 3
AlFeSi- Stoichiometric, (Al).5 5 (Fe).i 5 (Si). 3
AlFeSi-7 Stoichiometric, (Al) 3 (Fe)(Si)
AlFeSi-r, Stoichiometric, (Al) 2 (Fe) 2 (Si)
AlFeSi-r 3 Stoichiometric, (Al) 2 (Fe)(Si)

Comments:
No ternary interaction coefficients for the
substitutional solutions.
Assessor and Date:
P. Kolby, 1997.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase Al, 3 Fe4

G ( T ) - 0 . 6 2 7 5 H0Jcc-Al (298.15 K) -0.235 // F ; b c c - / , 2 ' p a r a (298.15 K)


r r o , diamone
0.1375 (298.15 K) = G(Al:Fe:Si) =
22013.336 + 0.6275 GHSER AI + 0.235 GHSER Fe + 0.1375 GHSER S
320 Thermochemical Database for Light Metal A lloys

Phase AlFeSi

G(T) - 0.7604 HA fc-A l (298.15 K) 0.19 ffboc>,2'p"m(298.15 K)


0.0496 tfs,;diamond(298.15 K) = G(Al:Fe:Si:Al) =
24920.609+5.4894 + 0.7604 GHSERAI + 0.19 GHSERF + 0.0496
GHSERsi
C(T) - 0.6612 H"lcc-M (298.15 ) 0.19 ^'00-2'(298.15 )
0.1488 tfs,;diamond(298.15 ) = G(Al:Fe:Si:Si) =
25340.922 + 5.4894 + 0.6612 GHSERA, + 0.19 GHSERFc
+ 0.1488 GHSERsi

Phase AlFeSi/?

G"(T) - 14.0 HA -CC-A l(298.15 ) 3.0 //F;bcc_/,2'para(298.15 )


3.0 tfs>diamond(298.15 ) = G(Al:Fe:Si) =
391310.9 + 55.84756 + 14.0 GHSERA, + 3.0 GHSERFe
+ 3.0 GHSERsi

Phase AlFeSi"

C(T)- 0.55 L/ifcc_/,1(298.15K)0.15 / F ; bcc /,2 ' para (298.15 )


0.3 //sdiamond(298.15 ) = G(Al:Fe:Si) =
14431.105 2.90062 + 0.55 GHSERA, + 0.15 GHSERFc
+ 0.3 GHSERsi

Phase AlFeSiy

G"() - 3.0 HJcc-A l (298.15 ) //F^cc/12'para(298.15 )


//s;dan,ond(298.15 ) = G(Al:Fe:Si) =
116929.6 + 8.399833 + 3.0 GHSERA, + GHSERFe + GHSERSi

Phase AlFeSi!

G"(T) - 2.0 HJCC-A 1 (298.15 K) 2.0 // F ; bcc 42 ' para (298.15 K)


tfs;diamond(298.15 K) = G(Al:Fe:Si) =
153000 + 2.0 GHSERAI + 2.0 GHSERFe + GHSERsi

Phase AlFeSir 3

G(T) - 2.0 HA icc-A X (298.15 K) // F ^ cc /I2 ' para (298.15 K)


//s;diamond(298.15 K) = G(Al:Fe:Si) =
99325.65 + 2.0 GHSERA, + GHSERFe + GHSERsi
System A l-Fe-Si 321

Table I C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlFeSi (Al) Cu cF4 M 4


FmZm

(Fe) Cu cF4 M 4
FmZm

(Fe) W eli M 2
ImZm

(Si) diamond cF8


Fd3m

AlaFe mC\01 designated by Ali.)Fe4


C2/m

AlFeSi AlFeSict Fe2Al7Si 246 246 and


Fe 2 Al 74 Si in [92Pet]

AlFeSi/? Fe2AlgSi2 m**

AlFeSi7 e**

AlFeSi PdGa 5 f/24 FeAI4Si2 in [91V1]


FeAl4Si3 in [92Pet]

AlFeSir, Fe 3 Al 3 Si 2

AlFeSiT3 Fe 5 Al 9 Si 5
322 Thermochemical Database for Light Metal Alloys

System Al-Li-Mg

Ternary Solution Phases:


Liquid, fcc-, bcc-,42, hcp-,43

Ternary C o m p o u n d s :
AlLi, AlLiMg-, AlMg-/?, Al, 2 Mg

Modelli ngi

Liquid Substitutional, Redlich-Kister


bcc-A2 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister
AlLi Sublattice model, (Al,Li,Mg)(Li,Mg,0)
AlLiMg- Stoichiometric, (Al)o.53(L>)o.33(Mg)o.u
AlMg-/? Sublattice model, (Al)0.ei5(Li,Mg)0.385
Ali 2 Mg,7 Sublattice model, (Li,Mg) 24 (Al,Li,Mg)| U (AI,Mg) 24

Assessor and Date:


N. Saunders, (1994).

Comments:
The data below are comptatible with Version I
of the -Mg system.

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

P h a s e Liquid

L OJIquid
AI.LI.Mg 20000

r 1.liquid
^AI.Li.Mg 15000

2,liquid
' y AI,l,i,Mg 20000
System A l-Li-Mg 323

Phase bcc,42

UTM^G = 71200.0 + 50.0

Phase fccAl
63650
AUMO = + 5 0
Phase hcp,43

ATMO = l.OE4

A = lOE4

AIX = 80000 + 50.0 T

Phase AlLi

LmU; = 3300.02.0 T

M:L..M, = 43460.0 + 60.0 T

AhMM.
J
AI:Li,Mg = -25000.0 + 10.0 T

Phase AlMg/?
rO.AlMg- _ .,-r,
4Z0U
^AI:Li,Mg

Phase AlLiMg
CC M
C(T) - 0.53 HA ~ (298.15 K) 0.33 //L;bcc_/,2(298.15 K)
0.14 r Y ^ (298.15 K) = G(Al:Li:Mg) =
15500 + 23.93 T 3.0 T InT + 0.53 GHSERA,
+ 0.33 GHSERu + 0.14 GHSERMg

Phase Ali 2 Mg 17

C(T) - 24.0 HVCC~A 1 (298.15 K) 10.0 H^CC'A 2(298.15 K)


24.0 /7MgCp (298.15 K) = G(Mg:Li:Al) =
610000 + 125 T + 24.0 GHSERA, + 10.0 GHSERy
+ 24.0 GHSERwg
C(T) - 24.0 //A'lfcc_/U(298.15 K) 24.0 H^CC~A 2 (298.15 K)
10.0 ^~3(298.15 K) = G(Li:Mg:Al) =
625000 + 269 T + 24.0 GHSERA, + 24.0 GHSERu
+ 10.0 GHSERMg
324 Thermochemical Database for Light Metal A lloys

G'() - 24.0 //ifcc'41(298.15 ) 10.0 rltf^2 (298.15 )


24.0 H^hgcp-A 3(298.15 ) = G(Li:Al:Mg) =
l.OE4 + 24.0 GHSERAI + 10.0 GHSERu + 24.0 GHSERMg
A J
L Mg:Af:A. = "220000
rO.AlijMgiT
^Mg:Al,Li:AI 50000

Table I C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlLiMg (Al) Cu cF4 M 4


FmZm

(Li) W cI2 M 2
ImZm

(Mg) Mg hPI M 2
P/mme

AlLi NaTl cF16 M, 8


FdZm M, 8

AIMg7 oMn clbS Al 24 designated as


cbcc,412 I4Zm Mg, 2 Ali 2 Mg,7
Mg2 8
Mg3 24

Al 3 Mg 2 Cd 2 Na cFUl CF1832 in [91 Vil]


FdZm designated as AlMg/?

Al2LiMg c 456 AILiMgr


System Al-Mg-Mn 325

System A l - M g - M n

Ternary Solution Phases:


Liquid, fcc-Al

Ternary C o m p o u n d :
AlMgMn-T

Modelling:

Liquid Substitutional, Redlich-Kister


DCC-.42 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
AlMgMn-T Stoichiometric, (Al), 8 (Mg) 3 (Mn) 2

Assessor and Date:


I. Ansara(1994).

Comments:
The data are valid only in the Al-rich corner.
Very little information on the phase relationships
is known

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A l M g M n - T
rO.fcC
C(T) - 18.0 H"Alcc-Al(298.15 K) - 3.0 H^gp~A3(298.15 K)
2.0 // M ' c n bcc - /112 ' para (298.15 K) = G(Al:Mg:Mn) =
- 206402.0 + 11.85 + 18.0 GHSER A , + 3.0 GHSER M g
+ 2.0 GHSER Mn
326 Thermochemical Database for Light Metal A lloys

Table I C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlMgMn (Al) Cu cF4 M 4


FmZm

(Mg) Mg hPI M 2
P&3/mmc

M n Mn c58 cbcc,41
/43m

-Mn /3Mn cP20 cub,413


P^,32

Cu cF4 M 4
Fm3m

Mn W eli M 2
ImZm

AlisMg 3 Mn 2 Ali 8 Cr 2 Mg3 e F184 designated as AIMgMnT


FdZm
System A l-Mg-Si 327

System AlMgSi

Ternary Solution Phases:


Liquid, fccAl, hcpA3, diamond

Modelling:

Liquid Substitutional, RedlichKister


fccAl Substitutional, RedlichKister
hcpA3 Substitutional, RedlichKister
diamond Substitutional, RedlichKister

Assessor and Date:


H. L. Lukas (1996)
Comments:
No ternary compounds or quasibinary phases

Publication:

H. Feufel, T. Gdecke, H. L. Lukas, and F. Sommer,


J. Alloys Comp. 247, 3142 (1997).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase Liquid
0,liquid
J
A I , M g si = 4125.86 0.51573

L
A\X%i
I.Mg = 47961.64 + 5.9952

L liqui'
M'.MS%
I.Mg = 25813.8 - 3.22672
328 Thermochemical Database for Light Metal Alloys

Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group latticee

Al-Mg-Si (Al) Cu cF4 M 4


FmZm
(Mg) Mg hPI M 2
P^/mmc

(Si) diamond cF8


FdSm
System Al-Mg-Zn 329

System A l - M g - Z n

Ternary Solution Phases:


Liquid, fcc-Al, hcp-A3, hcp-Zn, r,

Compounds:
AlMg-/?, AlMg-7, Laves-G14

Modellin SI

Liquid Substitutional, Redlich-Kister


fcc-Al Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister
AlMg-/? Sublattice model, (Mg) 8 g(Al,Zn)i 4 o
AlMg-7 Sublattice model, (Al,Mg,Zn), 2 ( Al,Mg,Zn), 2 (Mg) 5
I,aves-C14 Sublattice model, (Al,Mg,Zn)(Al,Mg,Zn) 2
r Sublattice model, (Mg) 26 (Al,Mg) 6 (AI,Mg,Zn) 48 (Al)
Sublattice model, (Mg) 6 (Al,Zn) 5

Assessor and D a t e :
P. Liang, H. L. Lukas (1967)

Publication:

P. Liang, T. Tarfa, J. A. Robinson, S. Wagner, P. Ochin,


M. G. Harmelin, H. J. Seifert, H. L. Lukas, G. Effenberg,
F. Aldinger

Thermochimica Acta, 314, 1-2, 87-110 (1998).


330 Thermochemical Database for Light Metal A lloys

Thermodynamic properties of the solution and compound phases (J.mol ')

Phase Liquid

A. = 11475 + 11

= 11475 + 11

A = 11475 + 11
Phase hepA3

15* = lOE4
K = lOE4
I K = lOE4
Phase hcpZn

iXIn" = lOE4
i n " = lOE4
AS = lOE4
Phase LavesGl4

= 35000
C U
= 15000
4
Af' = 7500 18

0 " CU = 8000

CM = 8000
Phase AlMg/?

AuKSfa = 1717500 + 343.5 T


System A l-Mg-Zn 331

Phase AIMg7

0Mg:Mgg:A:Zn = "116000 + 58

Mg:SMg = 11310014.5

Phase

Mg:Mg:A.,z = 23100 + 11
Phase

C(T)-7.0 Hlfc-M(298.15 ) 26.0 L/M'gCp"'43(298.15 )


hcp Zn
48.0 tfzn " (298.15 ) = G(Mg:Al:Zn:Al) =
832680 + 162 + 7.0 GHSERAI + 26.0 GHSERMg
+ 48.0 GHSERzn
C(T) - HA cc~A l (298.15 ) 32.0 i/MgCp_/,3(298.15 )
48.0 //zhcpZn(298.15 ) = G(Mg:Mg:Zn:Al) =
811620 + 162 + GHSERA, + 32.0 GHSERMg + 48.0 GHSERZn

^,, = " 16200 + 243

MTg:Mg:AI,Zn:Al = " 105300 + 243

MTg:A.:Mg,Zn:A. = 243000+81

Mg:Mg:Mg,z:A, = 243000 + 81
332 Thermochemical Database for Light Metal A lloys

Table I C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlCuMg (Al) Cu cF4 M 4


FmZm

(Mg) Mg hPI M 2
PGz/mmc

I.avesC14 MgZn2 hP\1 Cu 2


Ps/mmc Cu 6
Mg 4

Al 3 Mg 2 Cd 2 Na cFWI cF1832 in [91VM]


FdZm designated as AlMg/?

AIMg7 oMn c/58 Al 24 designated as Al, 2 Mgi7


/43m Mg, 2

o*

Mg32(AI,Zn)49 c/162
7m3
System A l-Mn-Si 333

System AlMnSi

T e r n a r y Solution P h a s e s :
Liquid, fccAl, 185)8
Quasibinary phases:
AlMnSiQ, AlMnSi/?
Compounds:
AlMnSi<5
M o d e l l i n SI

Liquid Substitutional, RedlichKister


fccAl Substitutional, RedlichKister
1 8 5 8 10 Sublattice model, (Al,Si), 2 (Mn) 4 (Al,Mn)in
AlMnSiQ Quasibinary, (Al) 16 (Mn) 4 (Si)(Al,Si) 2
AlMnSi/? Quasibinary, (Al) 15 (Si)(Al,Si) 4 (Mn) 6
AlMnSio" Stoichiometric, (Al) 2 (Mn)(Si)3

Comments:
The data below are valid in the composition
range xsi < 0.2 and XMD < 0.05
The fccAl phase is assumed to be ideal

Assessor a n d D a t e :
P. Kolby, M.H. Rand, and T.G. Chart, 1997.

T h e r m o d y n a m i c p r o p e r t i e s of t h e solution a n d c o m p o u n d p h a s e s ( J . m o l ' )

P h a s e Liquid
r 0,Liquid
^Al.Mn.Si 37000

Phase Al8Mn5D810
o.cbcc 12,para
G(T) - lo.o //:, (298.15 K) 4.0 H^ (298.15 K)
dia
12.0 #s' (298.15 K)
10.0 G H S E R A I + 4.0 GHSER M n + 12.0 GHSER Si
334 Thermochemical Database for Light Metal A lloys

Phase AlMnSi

C(T)-18.0 H A
A fc- 1 (298.15 K) 4.0 tfM^bcc/ll2'plu'a(298.15 K)
diamond
//s (298.15 K) =
755772 + 3544.43 573.95
0.114419 2 + 9.7001306 3 + 3716760 " 1
G(T) - 16.0 HA CC-A l (298.15 ) 4.0 / / f cc_'412'para(298.15 )
3.0 r7s,diamond(298.15 ) =
698911 + 2958.7 493.78
0.17905 2 + 1.8723705 3 + 1822810 " 1
rO.AlMnSi-a 0 0001
^AhMniSiiAI.Si ~ U-UUU1

Phase AlMnSi/?

C(T) - 19.0 HA -CC-A i (298.15 ) 6.0 //M'nbcc"'412,para(298.15 )


//s;diamond(298.15 ) =
880648 + 3451.04 572.75 '
0.201935 2 + 2.005 3 + 2184750 " 1
C(T) - 15.0 LfAifcc_/11(298.15 ) 6.0 /7M^bcc_'412'para(298.15 )
5.0 // s , ; diamond (298.15 ) =
779980 + 3451.04 - 593.657
0.16164 2 + 1.3509205 3 + 2946120 ~
rO,AIMnSi-/3 . 1
^AhSiiALSirMn ~ U.UUUl

Phase AlMnSi"

C(T)- 2.0 HA CC~M (298.15 ) 3.0 ^-12(298.15 )


tf;diamond(298.15 ) =
70000 2 + 2.0 GHSERAI + 3.0 GHSERM
+ GHSERsi
System A l-Mn-Si 335

Table I C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlMnSi (Al) Cu cF4 M 4


Fm3m

(Mg) Mg 2 M 2
P63/mmc

QMn QMn c58 cbcc-A\


/43m

/5Mn /3Mn cP20 cub,413


P., ,32

7Mn Cu cF4 M 4
Fm3m

Mn W c/2 M 2
ImZm

(Si) diamond cF8


Fd3m

AlMnSiQ AlgMn2Si cPIZS


PmZ

AlMnSi/? AlioMn3 ftP26


P63/mmc

AIMnSi 100 quoted in [9,1Pet]

Al 8 Mn 5 D8,o AlgCrs ft 26
RZm
336 Thermochemical Database for Light Metal Alloys

System A l - M o - T i

Solution P h a s e s :
Liquid, bcc-A2, fcc-Al, bcc-B2, hcp-A3

Ternary C o m p o u n d s :
A1M-D0.9, A1M-L>022, AlTi-Ll 0

Modellin S

Liquid Substitutional, Redlich-Kister


bcc-A2 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
bcc-/?2 Sublattice model, (Al,Mo,Ti)o. 5 (Al,Mo,Ti)o.5(0) 3
The thermodynamic description of the bcc-B2 takes
into account the ordering reaction bcc-A2 # bcc-J32.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
A1M-D0.9 Sublattice model, (Al,Mo,Ti) 3 (Al,Mo,Ti)(D) 0 5
A1M-D0 22 Sublattice model, (Al,Mo,Ti) 3 (Al,Mo,Ti)
AlTi-Llo Sublattice model, (Al,Mo,Ti)(Al,Mo,Ti)

Assessor and Date:


N. Saunders, 1996

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s (J.mol ')

Phase AIM-D0,9
r0,AIM-D0,9
^, 10656 - 1.332

rO,AlM-DO,j
^Al.TiiMoiO 32000 - 4
System ATMo-Ti 337

Phase AIM-D0 22
rO,AlM-D022
^AhMo.Ti = - 212000 + 120

Phase AlTi-Llo
rO,AITi-,lo rO,AlTi-Ll0
^Mo,Ti:AI = ^AhMo.Ti = - 13000
r 1,AlTi-Llo r l,AITI-Llo
^, = ^, = l.OE-4
r2,AlTi-Llo r2,AITi-Llo
^Mo.TirAI = ^, = - 13000

/O.AIT'i-Llo rO,AlTLlo
^MoiAl.Ti = ^, = - 15134 - 2.36

Phase b cc-A 2
l,bcc-A2
AI,Mo,Ti:D

2,bcc-,42
AI,Mo,TI:D

3,bee-A2
AI.Mo.TiiO

Phase bcc-L?2
rO,bcc-B2 rO,bcc-B2
v
Mo,TI:AI:D ^AhMo.TiiG -5000
rO,bcc-B2 0,bcc-B2
^Mo:AI,Ti:0 Al,Ti:Mo:D 8750- 1.25 T
r0,bcc-B2 0,bcc-B2
J
Ti:AI,Mo:a Al,Mo:ThO 14100 - 2 T

Phase bec-A2
r O.bcc-A2
, ,Ti:0 = 0
i-l.bcc- -A2
^, ,TI:D =0
j2,bee-A2
L
A\Mo,Tv.a = 0
338 Thermochemical Database for Light Metal A lloys

Table I C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlMoTi (Al) Cu cF4 M 4


Fm3m

(Mo) W en M 2
ImZm

bccB2 CsCi cPI M, 1


PmZm M2 1

(Ti) Mg hP2 M 2
P&i/mmc

(Ti) W cI2 M 2
ImZm

AlTi AuCu tP4 Al 2 AlTi-


P'4/mmm Ti, 1
Ti 2 1

AIT3 Ni3Sn hP8 AIM-D0,9


P6z/mmc

AI3T1 AI3T1 118 Al, 2 A1M-/J022


14/mmm Al2 4
Ti 2
System A l N-Ti 339

System AlNTi

Ternary Solution Phases:


Liquid, bccA2, hcpA3

Ternary C ompounds:
AlNTi 2 , AlNTi 3 , Al 2 N 2 Ti 3

Modellin S

Liquid Substitutional, RedlichKister


bccA2 Substitutional, RedlichKister
hcpA3 Substitutional, RedlichKister
AlNTi 2 Stoichiometric, (Al)(Ti) 2 (N) 0 .8 2
AINT3 Stoichiometric, (Al)(Ti) 3 (N) 0 .56
Al 2 N 2 Ti 3 Stoichiometric, (Al) 2 (Ti) 3 (N) 2

Assessor and Date:

K. Zeng, and R. SchmidFetzer, Univ. Clausthal,


Germany, (1996).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases ( J . m o l 1 )

Phase b c c - A 2
rO,bcc>42
L
'A\,Ti:N = - 200000

rO,bccA2
^Al.ThN.G = - 200000

Phase h c p - A 3
r0.hcp.43
^Al.TiiN = - 100000

rO,hcp-A3
^.:,0 = - 80000

r l.hcp A3
L
AI,Ti:N,a = - 37300 + 100
340 Thermochemical Database for Light Metal A lloys

Phase AlNTi 2

C(T) - HA CC-A l(298.15 K) 0.82 fff"2(298.15 K)


2.0 tfT;hcpj43(298.15 K) =
389592 + 104 + GHSERAI + 2.0 GHSERTi + 0.82 GHSERQ.BN,

Phase A1NT3

C(T) - HA CC-A 1 (298.15 K) 0.56 ^.|"2(298.15 K)


3.0 //T;hcp"'43(298.15 K) =
349502.5 + 92.5 + GHSERAI + 3.0 GHSERTi + 0.56 GHSERQ.SN,

Phase Al 2 N 2 Ti 3
rO.fcC AI
C(T) 2.0 //AI (298.15 K) 2.0 //f". (298.15 K)
ncp_ A3
ro.hcp ,J
- 3.0 /7Ti ' (298.15 K) =
3405331.05 5217.37371 + 1.75061514 2 + 2.0 GHSERAI
+ 3.0 GHSERTI + 2.0 GHSERO.SN,

Table I:a Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub


Space Group lattices

AlNTi (Al) Cu cF4 M 4


Fm3m

(Ti) Mg hP2 M 2
P3/mmc

(Ti) W cI2 M 2
ImZm

A1NT2 AlCCr 2 hPS


P&s/mmc

A1NT3 Ca0 3 Ti cPh M, 1


PmZm M2 1
Ti 3
SvstemAI-N-Ti 341

Table I:b - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Al 2 N 2 Ti 3 Al 2 N 2 Ti 3 22 Al, 2
P31c Ti, 2
Al2 2
Ni 2
N2 2
N3 2
N4 2
Ti 2 2
Ti 3 2
Ti 4 2
Ti 5 2
342 Thermochemical Database for Light Metal A lloys

System AlNbTi

Solution P h a s e s :
Liquid, bccA2, fccAl, bccB2, hepA3

Ternary C o m p o u n d s :
A1MD0,9, A1MD0 22 , AlTiLl 0 , a,AlNb 3 A15

Modelling:

Liquid Substitutional, RedlichKister


bccA2 Substitutional, RedlichKister
fccAl Substitutional, RedlichKister
hcpA3 Substitutional, RedlichKister
bcc52 Sublattice model, (Al,Nb,Ti) 0 . 5 (Al,Nb,Ti)o.5(a) 3
bcc52 Sublattice model, (Al,Mo,Ti)o.5(Al,Mo,Ti)o. 5 (a) 3
The thermodynamic description of the bccB2 takes
into account the ordering reaction bcc,42 # bccZ? 2.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
AlNb 3 A15 Sublattice model, (Al,Nb)(Nb) 3
A1MD0, 9 Sublattice model, (Al,Nb,Ti) 3 (Al,Nb,Ti)(G) 0 . 5
A1ML>022 Sublattice model, (AI,Nb,Ti) 3 (Al,Nb,Ti)
AlTiLlo Sublattice model, (Al,Nb,Ti)(Al,Nb,Ti)
Sublattice model, (Al) 8 (Nb,Ti) 4 (Al,Nb,Ti), 8

Assessor a n d D a t e :
N. Saunders, 1996

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A1MD0 2 2

bNb.T?0" = 20000
System A l-Nb-Ti 343

Phase AlMDOig

10656
NbVtrw" = L333 T
rO,AlMD0 19 _ 4nnf)
4UUU
^TiiAl.Nbi

-,DOi9 Qonnn
^AI.TirNbin

r0,AiMD0i9 _ lonnn
^Al.NbiTirD i^UUU

Phase AlTiLl 0

Jr O,AlTiLlo _ _ gerinn
AI,Nb,Ti:Al 10UUU

rO,AITILlo _ _ enfin
"AhAI.Nb.Ti 40UUU

Nb'Af10 = 18076
+ 12 T

NbtAl'.Tf10 = 15134
236 T

rO,AlTiLlo _ _ Q7f;nn
^ThAl.Nb o'OUU

^b" 1 0 = 15134 2 3 6 T

AhNb^f1 = 18076
+ 12 T

LJAl,Nb:Ti
ATP = 37600

Phase bccA2
rO,bee-A2
^AI.Nb.TiiO = 0
rl.bcc,42
^Al.Nb.Tii = 0

T2,bce-A2
^AI.Nb.TiiO = 0

Phase b c c 2

GA1:Nb:o = 8650 + T
G'AUTl,a = - 8750 + 1.35 T
'NbiTiiO
344 Thermochemical Database for Light Metal A lloys
rO,bccB2 0,bcc-B2
Nb,Ti:AI:a AI:Nb,TI:AI:D 'NbiTiiQ

0,bccB2 0,bccB2
Nb:AI,TI:0 AI,Ti:Nb:Q ^liTiiG

rO,bccB2 0,bcc-B2
' y Ti:AI,Nb:G AI,Nb:TI:n = -G\AI:Nb:G

Phase bccA2
rO,bcc-A2
J
AI,Nb,TI:G

r I,bcc-,42 n
U
^AI.Nb.TiiG

r 2,bcc-,42 _ r.
^AI.Nb.TitG U

Phase hcpA3
rO,hcp-A3
'JAI,Nb,Ti:a 10

Phase
rO,bee-A2/
G"() - 8.0 Z/, (298.15 ) 18.0 ff^'b ""(298.15 )
4.0 Htfcp-A 3(298.15 ) = G(Al:Ti:Nb) =
660000 + 79.5 + 8.0 GHSERAI + 18.0 GHSERNb
+ 4.0 GHSERT
C(T) 8.0 //'1fcc/"(298.15 ) 4.0 H^C-A 2(298.15 )
_ i o n . h r p - (298.15
/ n n j n i)
r \ _= n A l.MU.TH =
G(Al:Nb:Ti) _
18.0 /Yi
690000 + 148.5 + 8.0 GHSERAI + 4.0 GHSERNb
+ 18.0 GHSER
,
^AliNbtAI.TirG = 1680000 + 510
-,
^AhTiiAI.NbrG = 990000 + 270
I1" = 420000
^AliTliALNbrG
System A l-Nb-Ti 345

Table I C rystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlNbTi (Al) Cu cF4 M 4


Fm3m

(Nb) W c/2 M 2
ImZm

bcc2 CsCI cPI M, 1


PmZm M2 1

(Ti) Mg hP2 M 2
Pe^/mmc

(Ti) W cI2 M 2
ImZm

AlTi AuCu tP4 Al 2 AlTi/, lo


'4 /mmm Tii 1
Ti 2 1

AIT3 Ni3Sn hP8 A1MD0,9


P&/mmc

Al3Ti AI3T1 118 Al, 2 A1MD022


I4/mmm AI2 4
Ti 2

AlNb 3 Cr3Si ePS Al 2 cub/415


PmZn Nb 6

CrFe tP30
P^/mnm
346 Thermochemical Database for Light Metal Alloys

System Al-Si-Zn

Ternary Solution Phases:


Liquid, fcc-Al, hcp-Zn

Modellin S

Liquid Substitutional, Redlich-Kister


fcc-Al Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister

Assessor and D a t e :

M. Jacobs (1992).

Comments:

No ternary interaction coefficients.


No ternary compounds.

Table I - Crystal Structure and P h a s e Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Al-Si-Zn (Al) Cu cF4 M 4


FmZm
(Si) diamond cF8
Fd3m

(Zn) Mg hPI M 2
P&s/mmc
System A TSn-Zn 347

System AlSnZn

Ternary Solution Phases:


Liquid, fccAl, hcpA3, hcpZn

Modelling:

Liquid Substitutional, RedlichKister


fee A \ Substitutional, RedlichKister
hcp,43 Substitutional, RedlichKister
hcpZn Substitutional, RedlichKister

Assessor and Date:


H. L. Lukas (1991)

Publication:

N. Chakraborti, G. Effenberg, S. Fries, S. Kuang,


H.L. Lukas, and G. Petzow,
Vortr. Poster Symp. Materialforsch., 1991,
2nd, 3, 26922693 (1991).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase Liquid

Asizn = 2777.03 + 0.59427

AK/n = 15225.63 3.25821

r 2,liquid
16198.13 + 3.46632

Phase h c p A 3

fc? = lOE4
Phase hcpZn

" = lOE4
348 Thermochemical Database for Light Metal Alloys

Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Al-Sn-Zn (Al) Cu cF4 M 4


FmZm

(Sn) 0-Sn ti4


4\ /amd

(Zn) Mg hPI M 2
PSs/mmc
System Al-Sn-Zr 349

System Al-Sn-Zr

Ternary Solution Phases:


Liquid, bcc-A2, bct-A5, fcc-Al, hcp-A3

Compound:
AlSn 2 Zr 5

Modelling:

Liquid Substitutional, Redlich-Kister


bct-A5 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
AlSn2Zr5 Stoichiometric, (Al)(Sn) 2 (Zr) 5

Assessor and Dat e:


J. Korb, and K. Hack, GTT, Germany (1997)

Thermodynamic properties of the compound phase (J.mol ')

Phase AlSn2Zr5

G(T)-// Al rcc - /U (298.15K)-2.0 H^~M(298.15 K) - 5.0 rlcp43(298.15 K)


- 58824.4 + 896.225 - 177.0982 - InT - 0.0411 2
- 8.4073E-6 3 + 261079 " 1
350 Thermochemical Database for Light Metal Alloys

Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


lattices

Al-Sn-Zr (Al) Cu cF4


FmZm

(Sn) /3-Sn tI4


/4,/amtf

(Zr) Mg hP2 M 2
P&s/mmc

(Zr) W cl2 M 4
ImZm

AlSn2Zr6 not quoted in


[91VI] nor in [90Mas]
Svsf.em ATTa-Ti 351

System Al-Ta-Ti

Solution P h a s e s :
Liquid, bcc-A2, fcc-Al, bcc-B2, hcp-A3

Ternary Compounds:
A1M-D0.9, A1M-D0 22 , AlTi-Ll 0 ,

Modelling:

Liquid Substitutional, Redlich-Kister


bcc- ,42 Substitutional, Redlich-Kister
fcc- Al Substitutional, Redlich-Kister
hcp -A3 Substitutional, Redlich-Kister
bcC--B2 Sublattice model, (Al,Ta,Ti)o. 5 (Al,Ta,Ti)o. 5 (a)3
The thermodynamic description of the bcc-B2 takes
into account the ordering reaction bcc-A2 =* bcc-B2.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
A1M-D0,9 Sublattice model, (Al,Ta,T'i) 3 (Al,Ta,Ti)(D)o. 5
A1M-D0 22 Sublattice model, (Al,Ta,Ti) 3 (Al,Ta,Ti)
AlTi-Llo Sublattice model, (Al,Ta,Ti)(Al,Ta,Ti)
Sublattice model, (Al) 8 (Ta,Ti) 4 (Al,Ta,Ti), 8

Assessor a n d D a t e :
N. Saunders, 1996

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase h c p - A 3
r0.hrp-B3
^AI.Ta.TiiQ 40000
352 Thermochemical Database for Light Metal Alloys

Phase AlTi-Ll 0
rO,AiTi-Lio rO,AiTi-LiD iinnn
^Ta.TlrAI ^AlrTa.Ti ~ HUW

rO, LIo rO,AITI Lio irinj rt QC rp


_
^TaiAI.Ti ^AI,Ti:Ta ~ 10104 - .00 1

Phase A1MD0, 9
A
LT; ^, D o 0 " = 24000

4;*A!TC?" = 10656 1.332

" = 8000
L'|AT^fa?G'9 = 32000

O,AIM ,
AI:Ta,Ti:D
0 1 OQ
0

'Sfo 0 " = 20000


Phase A1MD022
AhTai00" = 20000
Phase bccA2
TILX = loooo
Phase bcc2
GAI:Ta = 8250 +
GA1:Ti = 8750 + 1.25
rO,bccB2 rO,bccB2 f-t.
_
^ThAI.TaiO ^AI.TaiTiiD ~ ^-

rO,bcc-B2 _ rO,bcc-B2 (-,,


u
^Ta^l.TliO ^AI.TKTa.-O AI:Ti

Phase bcc-A2

AMO",TI:O = - 10000

f f * = - 10000

AU^TI-O = - 10000
System A l -Ta-Ti 353

Phase

G"() - 8.0 IA fc-M (298.15 ) 18.0 HCC-A 2 (298.15 )


4.0 //hrp43(298.15 ) = G(Al:Ti:Ta) =
672000 + 105 + 8.0 GHSERAI + 18.0 GHSERTa
+ 4.0 GHSER
C(T) 8.0 HA CC-M(298.15 K) 4.0 H^CC~A 2 (298.15 K)
18.0 /7T;hrp~'ft(298.15 K) = G(Al:Ta:Ti) =
720000 + 153.9 + 8.0 GHSERA, + 4.0 GHSERT.
+ 18.0 GHSERr,
,
Al:Ta:AI.TI:0 = 1680000 + 510
0,(7
Al:Ti:Al,Ta:G 1230000 + 450


AhT:Al.Ta:D = 104

TI:AI,Ta:G = 300000
Table I C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group lattices

AlTaTi (Al) Cu cF4 M 4


FmZm

(Ta) W en M 2
ImZm

bccfl2 CsCl cPI M, 1


PmZm M2 1

(Ti) Mg hP2 M 2
P6i/mmc

(Ti) W cI2 M 2
ImZm

AlTi AuCu tP4 Al 2 AlTiLlo


P 4 /mmm Ti, 1
Ti 2 1

AIT3 Ni3Sn hP8 AIMDO19


P63/mmc

AI3Ti Al.iTi 118 Al, 2 A1MD0 22


I4 /mmm Al2 4
Ti 2

CrFe IP30
P4i/mnm
354 Thermochemical Database for Light Metal Alloys

System Al-Ti-W

Solution P h a s e s :
Liquid, bcc-A2, fcc-Al, bcc-B2, hcp-A3

Ternary C o m p o u n d s :
-,, AlTi-Llo

Modelling:

Liquid Substitutional, Redlich-Kister


bcc-A2 Substitutional, Redlich-Kister
fcc-Al Substitutional, Redlich-Kister
hep-A3 Substitutional, Redlich-Kister
bcc-/?2 Sublattice model, (Al,Ti,W) 0 .5(Al,Ti,W)o. 5 (0) 3
The thermodynamic description of the bcc-B2 takes
into account the ordering reaction bcc-A2 # bcc-B2.
Two descriptions are given:
one using equations 23 and 27,
the other using equations 23 and 28.
For the latter, the parameters are given in a frame.
A1M-D0.9 Sublattice model, (Al,Ti,W) 3 (Al,Ti,W)(a) 0 5
AlTi-Llo Sublattice model, (Al,Ti,W)(Al,Ti,W)

Assessor and D a t e :
N. Saunders, 1996

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase A1M-D0, 9
rO.AIM-DOn
^Ti.WrAhQ 73212

r 0,AIM-D0| 8
'Ti:AI.W:G - -2000

rO,AlM-DO|
^Al.TirWiQ 8000

r O,AIM-DOn
J
AI:Ti,W:G 8136
System A l-Ti-W 355

Phase AlTiLl 0
rO,AITiLlo rO,AITLlo
^Ti,W:AI ^AltTi.W : 16914

rO,AlTiLlo rO,AITiLlo
^WiAI.Ti ^AI.ThW = 15134 2.36

rO,AITLlo rO,AITiLlo
^Ti:Al,W ^AI.WiTI -- - 3000

Phase bccA2
,l,bee-A2
J
Al,Ti,W:G 0

f2,bccA2
^Al.Ti.WrG 0

r J.DCCA2 0
^AI.Ti.W.TirQ

Phase bccB2
875
G1:T.:Q = + l 2 5 T

rO,bccB2 rO,bcc-B2
^:|,:0 ^AI.TirWiQ ^l:Ti:0

Phase bcc A2
rO,bcc.42
^AI.TKWIO 0
l.bcc -A2
^, W:G - 0
r2,bcc- -A2
^, W:G - 0
356 Thermochemical Database for Light Metal A lloys

Table I C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Comments


Space Group latticee

AlTiW (Al) Cu cF4 M 4


FmZm

(W) W en M 2
/m3m

bccB2 CsCl cP2 M, 1


Pm3m M2 1

(Ti) Mg hP2 M 2
P6z/mmc

(Ti) W cl2 M 2
ImZm

AlTi AuCu tP4 Al 2 AlTiLlo


'4 /mmm Ti, 1
Ti 2 1

AIT3 Ni3Sn hP8 A1MD0| 9


P6z/mmc
System Uf-Ti 357

System B-Hf-Ti

Ternary Solution Phases:


Liquid, bcc-A2, hcp-A3
Quasi-binary phases:
B 2 M, B4M3, BM
Modelling:

Liquid Substitutional, Redlich-Kister


bcc-A2 Sublattice model (Hf,Ti)(B,D) 3
hcp-.43 Sublattice model (Hf,Ti)(B,D) 0 . 6
B2M Quasi-binary, (B) 2 (Hf,Ti)
B4M3 Quasi-binary, (B).)(Hf,Ti)3
BM Quasi-binary, (B)(Hf,Ti)

Comments:

No ternary compounds

Assessor and D a t e :
H. Bittermann, (1997)

Publication:
. Bittermann, and P. Rogl, J. Phase EquiL, 18,
24-47 (1997).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases (J.mol ')

Phase Liquid
r 0,liquid
'yB.Hf,Ti 41733.1
j 0,liquid
^B.Hf.Ti 125.375
r U,liquid
Zv
B.Hf.Ti 93.6697
358 Thermochemical Database for Light Metal A lloys

Phase B 2 M

rO,B2M
^, = 7223.32 + 1.75379

Phase B<M 3

rO.B^Ma
^BrHf.Ti = 115124 49.5166

Phase B M

rO.BM _
^ Ti 19396.7 6.57772

Table I C rystal S t r u c t u r e and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub


Space Group lattices

BHfTi (B) /?rhomboB

(Hf) Mg hP2 M 2
Ps/mmc

(Hf) W clS M 2
ImZm

(Ti) Mg hP2 M 2
P6z/mmc

(Ti) W cI2 M 2
ImZm

BM BFe oP8 4
Pnma Ti 4

B2M A1B2 hP3 2


P6/mmm Ti 1

BM 3 B<Ta3 0II4
Immm
System Cu-Mg-Y 359

System Cu-Mg-Y

Ternary Solution Phases:

Liquid, fcc-Al, bcc-A2, hcp-A3

Modelling:

Liquid Substitutional, Redlich-Kister


fcc-,41 Substitutional, Redlich-Kister
hcp-,43 Substitutional, Redlich-Kister

Assessor an d Date:
T. Bhler, RWTH, Aachen, Germany, (1997).
Comments:
No coefficents for the ternary solution phases.
No ternary compounds.

Table I - Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub-


Space Group lattices

Cu-Mg-Si (Cu) Cu cF4 M 4


FmZm

(Mg) Mg hP2 M 2
Pdz/mmc

(Y) W en M 4
ImZm

(Y) Mg hPI M 2
PSs/mmc
360 Thermochemical Database for Light Metal A lloys

System CuMgSi

Ternary Solution Phases:


(stable) Liquid, fccAl, bccA2, hcpA3
(metastable) hcpZn

Ternary C o m p o u n d s :
CuMgSio*, CuMgSiT, LavesC15

Modellin
SI
Liquid Substitutional, RedlichKister
bccA2 Substitutional, RedlichKister
fccAl Substitutional, RedlichKister
hcpA3 Substitutional, RedlichKister
hcpZn Substitutional, RedlichKister
CuMgSi Stoichiometric, (Cu)i6(Mg)e(S)7
CuMgSiT Stoichiometric, (Cu) 3 (Mg) 2 (Si)
LavesG15 Sublattice model, (Cu,Mg,Si) 2 (Cu,Mg,Si)

Assessor a n d P a t e :
T. Bhler, RWTH, Aachen, Germany, (1997).

T h e r m o d y n a m i c properties of the solution and c o m p o u n d p h a s e s ( J . m o l 1 )

Phase C u M g S i

C(T)- 16.0 H^c-A l(298.15 hcp A 3


K) 6.0 H^Mg - (298.15 K)
o.dlamond
7.0 H, (298.15 K) = G(Cu:Mg:S) =
559636 + 110.94 + 16.0 GHSERc u + 6.0 GHSER Mg
+ 7.0 GHSERsi
System Cu-Mg-Si 361

Phase C u M g S i r
c A
C(T)- 3.0 H* - (298.15 K) 2 . 0 //MgCp_/13(298.15 K)
o.d
wo.damod(298 1 5 R ) G(u:Mg:Si)
Si =

141720 I 20.26 + 3.0 GHSERc u f 2.0 GHSER M g + GHSER Si


Phase Liquid
rOJiquid 1R04
^Cu.Mg.Si iCrU4

r 1,liquid
^Cu.Mg.Si 141736

r2,liquld IFfM
^Cu.Mg.Si 1VU4

Phase h c p Z n
Oglilo = 50000

CXS"G = 50000

CKISG = 50000
Phase L a v e s C l 5
r 0,LavesCl 5
J
Mg,SI:Cu 15000

rO,LavMC15
L
Si:Cu.Mg 6599.45

rO,LaveeC15
L
Cu,Si:Mg 193131 + 20.69

S f " = 800
ci7' 5
= 13011.35
Table I:a C rystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub Commen s


Space Group lattices

CuMgSi (Cu) Cu cF4_ M 4


FmZm

(Mg) Mg hP2 M 2
PGi/mmc

(Si) diamond cFS M 8


FdZm
362 Thermochemical Database for Light Metal Alloys

Table I:b Crystal Structure and Phase Description.

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Cu 2 Mg Cu 2 Mg cF24 Cu 16 Laves-C15
FdZm Mg 8

Cui 6 Mg 9 Si 7 Mn2sTh6 cF112 Si, 4 CuMgSi-rr


Fm3m Si, 24
Mg 24
Cui 32
Cu 2 32

Cu 3 Mg 2 Si MgZn2 12 Si 2 CuMgSi-r
P63/mmc Mg 4
Cu 6
System Cu Mg-Zn 363

System C u - M g - Z n

Ternary Solution P h a s e s :

Liquid, fcc-Al, bcc-A2, bcc-?2, hcp-,43, hcp-Zn

Compounds:
Laves-C14, Laves-C15, Laves-G36, CuZn-7, MgZn,
Mg 2 Zn 3 , Mg 2 Zn n

Modelling:

Liquid Substitutional, Redlich-Kister


fcc-Al Substitutional, Redlich-Kister
hcp-A3 Substitutional, Redlich-Kister
hcp-Zn Substitutional, Redlich-Kister
bcc-f2 Sublattice model, (Cu,Mg,Zn) 0 .5(Cu,Mg,Zti) 0 .5
Two descriptions of the bcc-A2:bcc-2 order-disorder
transformation are given: one which includes the
parameters of the order and disordered phases in a single
description (equation 21 and 22 in the thermodynamic
modelling chapter), and a second one where the order
and disorder contributions are expressed by equation 23.
For the second case, the parameters are in a frame.
hcp-Zn Substitutional, Redlich-Kister-Muggianu
CuZn-7 Sublattice model, (Cu,Zn) 2 (Cu,Zn) 2 (Ou) :i (Mg,Zn) 6
Laves-C14 Sublattice model, (Cu,Mg,Zn) 2 (Cu,Mg,Zn)
Laves-Gl5 Sublattice model, (Cu,Mg,Zn) 2 (Cu,Mg,Zn)
Laves-G36 Sublattice model, (Cu,Mg,Zn) 2 (Cu,Mg,Zn)
MgZn Sublattice model, (Mg)i 2 (Cu,Zn)i 3
Mg 2 Zn 3 Sublattice model, (Mg) 2 (Cu,Zn) 3
MgjZnn Sublattice model, (Mg) 2 (Cu,Zn)n

Assessor and Date:


P. Liang, H. L. Lukas (1997)
Publication:
P. Liang, H. L. Lukas, H. J. Seifert, G. Ghosh, G. Ef-
fenberg, F. Aldinger,
in preparation for Calphad (1997)
364 Thermochemical Database for Light Metal A lloys

T h e r m o d y n a m i c properties of the solution and c o m p o u n d phases ( J . m o l ' )

Phase b c c 2

Gcu:Mg = 0.0
Cu.Mg - - 2500
Gcu:Zn = 0.0
cu.zn = - 1 2 8 9 8 . 9 7 + 3 . 2 6 5 9 8
Cu!zn = 945.265 0.80679

cu!zn = 1921.485 1.86969


GMg:Zn = 0.0
Mg.Zn =
= - 2500
2500
rO,bccB2 rO,bccB2
^Cu.MgiZniG = L
Zn:Cu,Mg:D ~ GcuMg + C u.Mg C u.Zn + 05 C u.Zn

r l,bccB2 rl,bccB2
^Cu.Mg^nrG = ^ZnrCu.MgiD 05 C u , Z n

r0,bccB2 rO,bccB2
^Cu.ZniMgiQ = ^MgiCu.Zn 7
Cu:Zn ^Cu.Zn

rl,bccB2 rl,bccB2
^Cu.ZniMgiD = ^Mg:Cu,Zr.:0
Jl
^Cu.Zn

r2,bccB2 r2,bccB2
^Cu.Zr^Mg = ^Mg:Cu,Zn:D IC2 u.Zn
^

rO,bccB2 rO,bccB2
^Mg.ZniCuiO = ^CuiMg.ZmO ~ ^Mg:Zn + Mg.Zn + Cu.Zn + 0.5 L Cu.Zn

rl,bccB2 r l,bccB2
^Mg.ZmCurO = ^CuiMg.ZnrO 0.5 LC u,z
rO,bccB2 rO,bccB2
^Mg.ZnrCu.ZniQ = ^:,:0 5 C u.Zn

rO,bccB2 rO,bccB2
^Mg.ZnrCu.MgtD = ^Cu.MgMg.ZntO 2 Cu.Zn

rO,bccB2 rO,bccB2
^Cu.ZnrCu.MgiO = ^Cu.MgrCu.ZnrO 5 Cu.Zn

rO,bccB2 rO,bccB2
^Cu.Mg.ZrnCurO = ^Cuu.Mg.ZnrO ^Cu.Zn

rO,bccB2 rO,bccB2
^Cu.Mg.ZrrZnrO = ^Znu.Mg.ZniG 1.5 C u.Zn
System Cu-Mg-Zn 365

Phase bec - A 2

rO.bcc-,42
^Cu.Mg.ZniO = 0

r 1,bcc-,42
^Cu.Mg.ZniD = 0

r 2,bcc-,42
^Cu.Mg.ZniO = 0

Phase Mg2Znn

rO,Mg 2 Zn n _ T i l finn

Phase Laves-Cl4
O.Lavea-CH
Mg.ZntCu 35000.00

O.Laves-C
Cu:Mg,Zn 35000.00

CLavee-CH
Zn:Cu,Mg 6599.45

rO, Laves C14


^Cu,Mg:Zn 13011.35

rO,Laves-CH
^Cu,Zn:Mg - 75305.48

Phase Laves-G15
rO,Laves-ri5
'JCu,Mg:Zn 13011.35

rO,Lave-C15
'^Zn:Cu,Mg 6599.45

rO,Lave-C15
^Mg,Zn:Cu 35000.00

r O.LavenCI5
^CuiMg.Zn 8000.00

O.Lavee-ClS
L Cu,Zn:Mg - 78824.62

rO,Lavr-CI5
L
Mg:Cu.Zn 25529.06
366 Thermochemical Database for Light Metal A lloys

Phase LavesC36
r 0,LavC TC 36
J
Mg,Zn:Cu 35000.00
rO,LveeC36
^CurMg.Zn 8000.00
0,LavwC36
Zn:Cu,Mg 6599.45
O.LaveeC36
Cu,Mg:Zn 13011.35
0,LaveC36
Cu,Zn:Mg - 90226.26

Phase Mg 2 Zn 3
rO,MgjZn 3
L
Mg:Cu,Zn 100000

Phase MgZn
rO.MgZn
^Mgu.Zn = - 575000

Phase CuZn7

K4 = 11552.71 1.67824
K5 = 15732.3 10.26575
K6 = 37289.2 13.05259
7 = 9000.0 1.50000
13 4 + 2 5 + 2 6 + 6 7 = 9857.77 77.4538
13 4 + 6 7 = 96185.23 30.81712
13 4 + 2 6 + 6 7 = 21606.83 56.9223
C(T)-5.0 /Y c ' u fcc /U (298.15K)6.0 /7^ cp_/,3 (298.15 )
hcp_Zn
2.0 //zn (298.15 ) = C(Zn:Cu:Cu:Mg) =
13.0 4 + 2.0 5 + 2.0 6 + 6 7 + 5.0 GHSERCu
+ 6.0 GHSERwg + 2.0 GHSERZ
C(T) - 5.0 Hccc~A l (298.15 ) 6.0 //^ cp " 43 (298.15 )
2.0 /7znhcp_Zn(298.15 ) = G(Cu:Zn:Cu:Mg) =
13.0 4 + 6.0 7 + 5.0 GHSERcu + 6.0 GHSERMg
+ 2.0 GHSERzn
C(T) - 3.0 //Cufcc_'41(298.15 K) 6.0 H^hgcp-A 3(298.15 K)
4.0 //znhcp_Zn(298.15 K) = G(Cu:Zn:Cu:Mg) =
13.0 K4 + 2.0 K6 + 6.0 K7 + 3.0 GHSERcu + 6.0 GHSERMg
+ 4.0 GHSERzn
System Cu-Mg-Zn 367

Table I - Crystal Structure and P h a s e D e s c r i p t i o n .

System Phase Prototype Pearson Symbol Sub- Comments


Space Group lattices

Cu-Mg-Zn (Cu) Cu cF4 M A


FmZm

(Mg) Mg hP2 M 2
PSs/mmc

(Zn) Mg hP2 M 2
PGz/mmc

CuMg2 CuMg2 0F48 Cu 16


Fddd Mgl 16
Mg2 16

Cu 2 Mg Cu 2 Mg cF24 Cu 16 Laves-C 15
FdZm Mg 8
Laves-C36 MgNi2 hP14 Cr, 6 Laves-C36
PSi/mme Cr 2 6
Zr, 3
Zr2 3

Lave8-C14 MgZn2 hP\1 Cr 2 Laves-C14


P&3/mmc Cr 6
Zr 4

7 Cu 5 Zn 8 C52 Cu, 8 CusZn


4Zm Cu 2 12
Zn, 8
Zn2 24

Mg 2 Znn Mg 2 Zn n cP39
PmZ

MgZn

Mg 2 Zn 3 mCHO
B2/m
APPENDICES
Thermodynamic Properties of the FJements 371

A P P E N D I X I: THERMODYNAMIC PROPERTIES OF THE ELEMENTS


(J.mo/ 1 )
NOTE: The Gibbs Energies of Formation at are relative to the Enthalpy
of the Pure Elements in their Reference Phase at 298.15 '

ALUMINIUM

Aluminium fccAl
GHSERAI = ^ " " ' ( T ) H0Jcc~A l
(298.15 K) =
298.15 <T< 700.00 : 7976.15 + 137.093038 24.3671976 InT
1.884662E3 2 - 0.877664E6 32
+ 74092 " 1
700.00 << 933.47 : 11276.24+223.048446 - 38.5844296
+ 18.5319823 2 5.7642276 3
+ 74092 " 1
933.47 << 2900.00 : 11278.378 + 188.684153 - 31.748192
1230.52425 " 9
Aluminium bccA2
C C A 2
G B C C A I = GA { - (T) - HA icc-M(298.15 ) =
298.15 < < 2900.00 : 10083.00 4.813 + G H S E R A I
Aluminium cbccA12
G cbccAi2 ( r ) _ / / ^ " i ( 2 9 8 . i s ) =

298.15 <T< 2900.00 : 10083.40 4.813 + G H S E R A I


Aluminium bccB2
GAMB2(T) - HA CCA- i (298.15 ) =
298.15 << 2900.00 : GBCC A i
Aluminium bctA5
G bct-A5/T\ A
rjo,lec- l
Al U ) " WAI
298.15 < < 2900.00 : 10083.0 4.813 + G H S E R A I

'Scientific Group Thermodata Europe (S.G.T.E.) Data for Pure Elements, A.T. Dinsdale, CAL
PHAD, 15, 4, 317425 (1991).
372 Thermochemical Database for Light Metal A lloys

Aluminium cubA13
/^>cub Al3/rr>\ ijO,fccAl
G H
AI (' ) A -

298.15 < T < 2900.00 : 10920.44 4.8116 + GHSERAI


Aluminium diamond

298.15 < < 2900.00 : 30.0 + GHSERAI


Aluminium hcpA3
GHCPA1 = GAcrA3 (T) "^- (298.15 ) =
298.15 < T < 2900.00 : 5481.0 1.8 + GHSERA,
Aluminium hcpZn
GhcpZn(T) _ tfO,fccAI(298 1 5 Kj =

298.15 < T < 6000.00 : 5482 1.8 + GHSERc


Aluminium liquid
GLIQAI = GAfd(T) - HJcc-A i(298.15 K) =
298.15 <T< 933.47 : +11005.02911.841867 + 7.934E20 7
+ GHSERAI
933.47 < T < 2900.00 : +10482.38211.253974 + 1.231E+28 " 9
+ GHSERAI

BORON

Boron /?rhomboB
s~irhomboB/TI\ o.rhomboB(298 1 5 jg _
GHSERB
II
298.15 < T < 1100.00 7735.284 + 107.111864 - 15.6641 InT
0.006864515 2 + 6.18878E07 3
+ 370843 " 1
1100.00 < T < 2348.00 16649.474 + 184.801744 26.6047
7.980904 2 - 2.55608 3
+ 1748270 " 1
2348.00 < < 3000.00 36667.582 + 231.336244 31.5957527
0.00159488 2 + 1.3471907 3
+ 11205883 1
3000.00 << 6000.00 21530.653+222.396264 31.4 -
Thermodynamic Properties of the Elements 373

G B C C B = Glcc~A 2(T) - / B ' r h o m b o B (298.15 K) =


298.15 < < 6000.00 : 50208.0 13.472 + GHSER B
Boron diamond
/"diamond/\ _ rrO,/3rhombo

298.15 < < 6000.00 : 20 + GHSER B


Boron feeAl
G F C C B = G ^ 4 1 (T) tfB'/3rhombB(298.15 K) =
298.15 < < 6000.00 : 43514.0 12.217 + GHSER B
Boron h c p A 3
G H C P B = GhBcp'A 3(T) - //' /3 rhomb B (298.15 K) =
298.15 < < 6000.00 : 50208.0 9.706 + GHSER B
Boron liquid
G L I Q B = G B quid (T) //B' i " r h o m b o _ B (298.15 K) =
298.15 <T< 500.00 : 40723.275 + 86.843839 1 5 . 6 6 4 1 InT
0.006864515 2 + 6.18878E07 3
+ 370843 " 1
500.00 << 2348.00 : 41119.703 + 82.101722 - 14.9827763
0.007095669 2 + 5.0734707 3
+ 335484 '
2348.00 << 6000.00 : +28842.012 + 200.94731 - 31.4

CARBON

Carbon graphite
GHSERc = G c r a p h i t e (T) // c g r a p h i l e (298.15 K) =
298.15 <T< 6000.00 : 17368.441 + 170.73 24.3 InT
4.723E04 2 + 2562600 " 1 - 2.643E+08 T~ 2
+ 1.2+10 -3
Carbon diamond
G c i a m o n d (T) /7 c ' graphite (298.15 ) =
298.15 <T< 6000.00 : 16359.441+175.61 24.31 -
4.72304 2 + 2698000 '1 - 2.61 +08 " 2
+ 1.11+10 " 3
374 Thermochemical Database for Light Metal Alloys

Carbon liquid
GLIQc = G c q u i d (T) - ffc-graphite(298.15 K) =
298.15 <T< 6000.00 : 117369-24.63 + GHSERc

CERIUM

Cerium f c c - A l
GHSER c = G c T ^ ' C n - -f/ c f c -'I4 (298.15 K) =
298.15 < < 1000.00 : -7160.519 + 84.23022 - 22.3664 I nT
-0.0067103 2 - 3.20773E-07 3 - 1 8 1 1 7 " '
1000.00 << 2000.00 : -79678.506 + 659.4604 -101.32248
+ 0.026046487 2 - 1.9302976-06 3 + 11531707
2000.00 << 4000.00 : -14198.639 + 190.370192 - 37.6978
Cerium b c c - A 2
GBCCcc = G%c-A2(T) - Hcc-M (298.15 K) =
298.15 <T< 1000.00 : -1354.69-5.21501 - 7.7305867
- 0.029098402 2 + 4.784299-06 3 - 196303 ' 1
1000.00 << 1072.00 : -12101.106 + 187.449688 - 37.6142 -
1072.00 << 6000.00 : -11950.375 + 186.333811 - 37.4627992
- 5.7145-05 2 + 2.348-09 3 - 25897 " ' 1
Cerium dhcp
Gc b c p (T) - Hcc-M(298.15 K) =
298.15 <T< 4000.00 : - 190.0 + 0.56886 + GHSERc.
Cerium h c p - A 3
GHCPc. = Ghccp-A3(T) - Hcicc-Ai (298.15 K) =
298.15 <T< 4000.00 : 50000 + GHSERC<;
Cerium liquid
GLIQc. = Glfd (T) - Hc',ccc-Al(298.15 K) =
298.15 <T< 1000.00 : 4117.865 - 11.423898 - 7.5383948 T I nT
- 0.02936407 2 + 4.827734E-06 3 - 198834 " 1
1000.00 < < 4000.00 : - 6730.605 + 183.023193 - 37.6978
Thermodynamic Properties of the Elements 375

CHROMIUM

C h r o m i u m bccA2(paramagnetic)
GHSERcr = Gbc-A 2-p&ra(T) // c ' b c c / l 2 ' p a r a (298.15 K) =
298.15 < T < 2180.00 : 8856.94 + 157.48 26.908 InT
+ 1.89435E3 2 1.47721E6 3 + 139250 " 1
2180.00 << 6000.00 : 34869.344 + 344.18 50
2885.2629 " 9
Chromium c b c c A 1 2
G c c b c c A , 2 p " r a (T) 7/ c 'r bcc " 42 ' para (298.15 ) =
298.15 <T< 6000.00 : 11087.0 + 2.7196 + GHSER Cr
Chromium cubA13
Gccf-A3(T) // c ; b c c 4 2 , p a r a (298.15 ) =
298.15 < T < 6000.00 : 15899.0 + 0.6276 + GHSER Cr
Chromium f c c A l (paramagnetic)
GFCCcr = Girft-M(T) - /7 c ' b c c 4 2 ' p a r a (298.15 K) =
298.15 << 6000.00 : 7284.0 + 0.163 + GHSER Cr +
Chromium hcpA3(paramagnetic)
GHCPcr = Ghccp~A 3(T) - tfCrbcc"42'para(298.15 K) =
298.15 << 6000.00 : 4438.00 + GHSER Cr +
C h r o m i u m liquid
GLIQcr = G c q r uid (T) // c ' r bcc_/,2 ' para (298.15 K) =
298.15 < T < 2180.00 : 24339.95511.420225 + 2.37615E21 7
+ GHSERcr
2180.00 << 6000.00 : 18409.36 8.563683 + 2.88526E+32 " 9
+ GHSERcr
Chromium LavesC l4
G Cr,Lav M Cl4 _ g Q / / o,bcc^2 ( 2 g g ^ R ) _

298.15 < < 6000.00 : 15000.0 + 3.0 GHSER Cr


Chromium L a v e s C l 5
GCr,Lave.C15 _ 3 Q tfO.bcc^^gg ,5 R ) =

298.15 <T< 6000.00 : 15000.0 + 3.0 GHSER Cr


376 Thermochemical Database for Light Metal A lloys

Chromium LavesG36
cCr.Lave.C3e _ 3 Q flb(298.15 K) =
298.15 < < 6000.00 : 15000.0 + 3.0 GHSERcr

COPPER

Copper feeAl
GHSERcu = GfrA 1(T) - Hctc~M (298.15 K) =
298.15 <T< 1357.77 : 7770.458 + 130.485235 24.112392 InT
2.65684E3 2 + 0.129223E6 3 + 52478 " 1
1357.77 << 3200.00 : 13542.026 + 183.803828 31.38
+ 364.16727 " 9
Copper bccA2
GBCCcu = G%TA 2(T) - ^~(2985 ) =
298.15 < < 3200.00 : 4017.00 1.255 + GHSERcu
Copper hcpA3
GHCPcu = Gccp~A 3(T) - H^ucc-A l(298.15 K) =
298.15 <T< 3200.00 : 600.0 + 0.2 + GHSERcu
Copper liquid
GLIQcu = G c T ^ T ) //C'urcc/11(298.15K) =
298.15 <T< 1357.77 : 12964.7369.511904 5.849E21 7
+ GHSERcu
1357.77 < < 3200.00 : 13495.481 9.922344 3.642E+29 9
+ GHSERc

IRON

Iron bccA2(paramagnetic)
GHSERpv = Gbcc,42,para^ _ ^^2,P"( 2 98.15 K) =
298.15 <T< 1811.00 : 1225.7 + 124.134 23.5143 InT
4.39752E3 2 - 0.058927E6 3 + 77359 "
Thermodynamic Properties of the Elements 377

1811.00 <T< 6000.00 : -25383.581+299.31255 - 46 InT


+ 2296.03E28 " 9
Iron cbcc-A12
G^c-An(T) - //^ c c -- 4 2 ' p a r a (298.15 K) =
298.15 < < 6000.00 : + 4745 + GHSER Fe
Iron c u b - A 1 3
Gcpf-M3(T) - // F ; b c c - 4 2 ' p a r a (298.15 K) =
298.15 < < 6000.00 : 3745 + GHSER Fe
Iron fcc-,41 (paramagnetic)
GFCCF^Gk0-41^) - tfF;bcc~'l2'para(298.15 K) =
298.15 <T< 1811.00 : - 1 4 6 2 . 4 + 8 . 8 2 8 2 - 1.15 InT
+ 0.00064 2 + GHSER Fe
1811.00 <T< 6000.00 : -713.815 + 0.94001
+ 0.49251 " 9 + GHSERpe
Iron h c p - A 3
GHCP F c = GpP~A3(T) - H^cc'A2'para(298.15 K) =
298.15 <T< 1811.00 : -3705.78 + 12.591 - 1 . 1 5 InT
+ 6.4E-04 2 + G H S E R F C
1811.00 <T< 6000.00 : -3957.199 + 5.24951 + 4.9251 E+30 T~ 9
+ GHSER Fe
Iron liquid
GLIQ Fe = G F q u i d (T) - // F ^ c c - / , 2 ' p a r a (298.15 K) =
298.15 <T< 1811.00 : +12040.17-6.55843 - 3.67516E-21 7
+ GHSERpe
1811.00 <T< : +14544.751-8.01055 - 2.29603E+31 " 9
6000.00 + GHSERc

HAFNIUM

Hafnium h c p - A 3
GHSERHf = G^rK3{T) - H^cp~A3 (298.15 K) =
298.15 <T< 2506.00 : -6987.297 + 110.744026 - 22.7075 - I n T
- 0.004146145 2 - 4.77E-10 3 - 22590 " 1
378 Thermochemical Database for Light Metal A lloys

2506.00 < < 6000.00 : 1446776.33 + 6193.60999 787.536383


+ 0.1735215 2 7.57575906 3
+ 5.01742495+08 " 1
Hafnium bec2
GBCCH, = G^f-A 2(T) - H$cp~A 3(298.l5 K) =
298.15 <T < 2506.00 : 5370.703 + 103.836026 T 22.8995 T InT
0.004206605 T 2 + 8.71923E07 T 3 22590 T"'
1.446E10 T4
2506.00 < T < 6000.00 : + 1912456.77 8624.20573 T + 1087.61412 T InT
0.286857065 T 2 + 1.3427829E05 T 3
6.10085091E+08 T" 1
Hafnium fccAl
GFCCHf = C%TM{T) - H$cp-A 3(298.15 K) =
298.15 < T< 6000.00 : 10000 2.2 T+GHSERHf
Hafnium liquid
GLIQHf = GHqfuid(T) //'rhcp/,3(298.15 K) =
298.15 <T< 1000.00 : 20414.959 + 99.790933 T22.7075 T InT
0.004146145 T 2 4.77E10 T 3 22590 T" 1
1000.00 <T< 2506.00 : 49731.499149.91739 T+12.116812 T InT
0.021262021 T 2 + 1.376466E06 T 3 4449699 T" 1
2506.00 <T < 6000.00 : 4247.217 + 265.470523 T 44 T InT

LITHIUM

Lithium becA2
GHSERu = G\?~A 2(T) - H?cc-A 2(298.15 K) =
200.00 <T< 453.60 : 10583.817 + 217.637482 T 38.940488 T InT
+ 35.466931E3 T 2 19.869816E6 T 3 + 159994
453.60 < T< 500.00 : 559579.123 + 10547.879893 T
1702.8886493 T InT
+ 2258.329444E3 T 2 571.066077E 6 T 3
+ 33885874 T" 1
500.00 <T< 3000.00 : 9062.994 + 179.278285 T31.2283718 T InT
+ 2.633221E3 T 2 0.438058E6 T 3 102387 T"
Thermodynamic Properties of the Elements 379

Lithium f c c - A l
GFCCu = G i p 4 1 () - ^-2(298.15 ) =
200.00 < < 3000.00 : - 108 + 1.3 + GHSER Li
Lithium hepA3
GHCPi.i = Ghp-A3(T) - ^-2(298.15 ) =
200.00 < < 3000.00 : - 154 + 2 + GHSER L
Lithium liquid
GLIQLi = G L quid (T) - H^cc-A2 (298.15 K) =
200.00 <T< 250.00 : -7883.612 + 211.841861 - 38.940488 -
+ 35.466931 E-3 2 - 19.869816E-6 3
+ 159994 " 1
250.00 < < 453.60 : 12015.027 - 362.187078 + 61.6104424 -
- 182.426463-3 2 + 63.955671 -6 3
- 559968 " 1
453.60 << 3000.00 : -6057.31 + 172.652183 -31.2283718 -
+ 2.633221 -3 2 - 0.438058-6 3
- 102387 " 1

MAGNESIUM

M a g n e s i u m hepA3
GHSER Mg = G^-A3(T) - Hgcp-A3(298.15 ) =
298.15 <T< 923.00 : -8367.34 + 143.675547 - 26.1849782
+ 0.4858-3 2 - 1.393669-6 3 + 78950 " 1
923.00 < < 3000.00 : - 14130.185 + 204.716215 - 34.3088 -
+ 1038.19225 ~ 9
Magnesium b c c - A 2
GBCC M g = G-A2(T) - HMhgp-A3(298.15 ) =
298.15 <T< 3000.00 : 3100.00-2.1 + GI I SER M s
Magnesium c b c c - A 1 2
G cbcc-A.2(T) _ //^-3(298 15 K ) =

298.15 <T< 3000.00 : 4602.4-3.011 + GHSER Mg


Magnesium cub-,413
G C M Ub ~' 1 "m - / / ' ! " 3 ( 2 9 8 . 1 5 ) =
380 Thermochemical Database for Light Metal A lloys

298.15 < < 3000.00 : 5000.0 3.0 + GHSER Mg


Magnesium fccAl
GFCCMt = G^M{T) _ /f M ' hcp /l3 (298.15 ) =
298.15 <T< 3000.00 : 2600 0.90 + GHSER Mg
M a g n e s i u m liquid
uid
GLIQwg = Gj? g (T) - H^cpA- 3(298.15 ) =
298.15 <T< 923.00 : 8202.243 8.83693 + GHSER Mg 8.0176E20 7
+ GHSERMg
923.00 << 3000.00 : 8690.3169.392158 1.038192+28 " 9
+ GHSERMg

MANGANESE

Manganese c b c c A l 2 ( p a r a m a g n e t i c )
G H S E R M I , = G^ b n cc A12 ' para (T) #M^ bcc A,2 ' para (298.15 K) =
298.15 <T< 1519.00 : 8115.28 + 130.059 23.4582 InT
7.34768E3 2 + 69827 T~l
1519.00 < < 3000.00 : 28733.41 + 312.2648 48
+ 1656.847+27 " 9
Manganese bccA2(paramagnetic)
GBCCwn = G^cn-A 2-pm(T) //^ b c c _ A 1 2 ' p a r a (298.15 ) =
298.15 < < 1519.00 : 3235.3 + 127.85 23.7
7.44271 3 2 + 60000 " 1
1519.00 < < 3000.00 : 23188.83 + 307.7043 48
+ 1265.15227 " 9
Manganese f c c A l ( p a r a m a g n e t i c )
G F C C M = GtM-A 'pm(T) - //^ n b c c A 1 2 ' p a r a (298.15 ) =
298.15 <T< 1519.00 : 3439.3 + 131.884 24.5177 -
- 63 2 +69600 " 1
298.15 << 1519.00 : 26070.1+309.6664 48 -
+386.19628 " 9
Manganese LavesCl5
G&n015 3 0
^Mn bcc " A12 ' par, '(298.15 ) =
298.15 << 3000.00 : 3000.0 + 3.0 GHSER Mn
Thermodynamic Properties of the Elements 381

Manganese cubA13
Gf~M3(T) - //MCncbcc"AI2'para(298.15 K) =
298.15 < T < 1519.00 : +2314.88 + 5.936 1.4203 - InT
+ 1.51409E03 2 + 442.0 " 1 + GHSERM
1519.00 3000.00 : + 442.65 0.9715 + 2.3107229E+30 T~9
+ GHSERMn
Manganese hcp/13(paramagnetic)
GHCPM = G^rA 3-fm{T) - /7M'nbcc_A12'para(298.15 K) =
298.15 < < 1519.00 : 4439.3 + 133.007 24.5177 InT
6E3 2 + 69600 " 1
1519.00 << 6000.00 : 27070.1+310.7894 48
+386.19628 ~9
Manganese liquid
GLIQMH = G'Zd(T) - //jcnbccA12'para(298.15 ) =
298.15 <T< 1519.00 : 17859.9112.6208 4.41929E21 7
+ GHSERMn
1519.00 << 3000.00 : 18739.5113.2288 1.656847+30 " 9
+ GHSERMn

MOLYBDENUM

Molybdenum bccA2
GHSERMO = Gf-A 2(T) - Hb0cc-A 2(298.15 ) =
298.15 << 2896.00 : 7746.302 + 131.9197 23.56414
0.003443396 2 + 5.6628307 3 + 65812 " 1
1.3092710 4
2896.00 < < 5000.00 : 30556.41 + 283.559746 42.63829 -
4.849315+33 ~9
Molybdenum fccAl
GFCCMO = G$-A 1(T) - Hhcc-A 2(298.15 ) =
298.15 << 2896.00 : 7453.698 + 132.5497 23.56414
0.003443396 2 + 5.6628307 3 + 65812 ~'
1.3092710 4
2896.00 < < 5000.00 : 15356.41 + 284.189746 42.63829
4.849315+33 ~9
382 Thermochemical Database for Light Metal A lloys

Molybdenum hepA3
GHCPMO = GhrA 3(T) - Hubcc-A 2(298.15 K) =
298.15 <T< 5000.00 : 11550 + GHSERMo
Molybdenum liquid
GLIQMO = GlZ'd(T) - //MO C C _ / , 2 (298.15 K) =
298.15 <T< 2896.00 : 34085.045 + 117.224788 23.56414 InT
0.003443396 2 + 5.66283E07 3 + 65812 "1
1.3092710 4 + 4.2451922 7
2896.00 << 5000.00 : 3538.963+271.6697 42.63829

NITROGEN

Nitrogen gas
GHSERN = Gf(T) - ff0e.5Nj(298.15 K) =
298.15 <T< 950.00 : 3750.6759.45425 12.7819 InT
0.00176686 2 + 2.681E09 3 32374 " 1
950.00 < < 3350.00 : 7358.85 + 17.2003 16.3699
6.510704 2
+ 3.009708 3 + 563070 " 1
3350.00 < < 6000.00 : 16392.8 + 50.26 20.4695
+ 2.3975404 2 8.33309 3 + 4596375 1
Nitrogen liquid
GLIQN = Gquid(T) # 5 ,(298.15 ) =
298.15 < < 6000.00 : 29950 + 59.02 + GHSERN

NEODYMIUM

Neodymium dhcp
GHSERNd=GdJhdcp /^ dhcp (298.15 ) =
298.15 <T< 900.00 : 8402.93 + 111.10239 27.0858
+ 5.5612504 2 2.692306 3+34887 " 1
900.00 << 1128.00 : 6984.083 + 83.662617 22.7536
0.00420402 2 1.80206 3
1128.00 << 1799.00 : 225610.846 + 1673.04075 238.182873
+ 0.078615997 2 6.04820706 3 + 38810350 " 1
1799.00 << 2000.00 : 25742.331+276.257088 48.7854
Thermodynamic Properties of the Elements 383

N e o d y m i u m bccA2
GBCC N d=G b J c d c 42 H^cc-A 2(298.15 K) =
298.15 <T< 400.00 : 6965.635 + 110.556109 27.0858 InT
+ 5.56125E04 2 2.6923E06 3 + 34887 " 1
400.00 << 1128.00 : +7312.2153.033976 + 14.9956777
0.050479 2 + 7.28721706 3 8 3 1 8 1 0 " 1
1128.00 << 1289.00 : 18030.266+239.677322 44.5596
1289.00 << 1800.00 : +334513.0172363.9199 + 311.409193
0.156030778 2 + 1.2408421 05 3 64319604 "
N e o d y m i u m liquid
GLIQ N M=G^ d c 42 H$CC~A 2
(298.15 ) =
298.15 <T< 300.00 : 3351.187 + 109.517314 27.0858
+ 5.5612504 2 2.692306 3 + 34887 " 1
300.00 << 1128.00 : +5350.0186.593963 + 5.357301
0.046955463 2 + 6.86078206 3 374380 " 1
1128.00 << 1800.00 : 16335.232 + 268.625903 48.7854

NICKEL

Nickel f c c A l (paramagnetic)
G H S F . R N i = G r / U p a r a //^ c c A 1 ' p a r a (298.15 ) =
298.15 <T< 1728.00 : 5179.159 + 117.854 22.096
0.0048407 2
1728.00 << 3000.00 : 27840.655+279.135 43.1
+ 1 .12754+31 " 9
Nickel bccA2(paramagnetic)
G B C C N I = G ^ 4 2 //^ f c c 4 1 ' p a r a (298.15 ) =
298.15 < < 1300.00 : + 8715.084 3.556 + GHSER Ni
Nickel hcpA3(paramagnetic)
G H C P N I = GhNcrA 3 - ^ f c c 4 1 p a r a ( 2 9 8 . 1 5 K) =
298.15 < < 3000.00 : + 1046 + 1.2552 + GHSER Ni
Nickel liquid
GLIQNi = G'r,quid /Y^ i fcc /Upara (298.15 K) =
298.15 <T< 1300.00 : 16414.686 9.397 3.82318E21 7
+ GHSERN
1728.00 <T< 3000.00 : 18290.8810.537 1.127554+31 "9
+ GHSERTi
384 Thermochemical Database for Light Metal A lloys

NIOBIUM

N i o b i u m becA2
GHSERNb = G N c b c_A2 (T) H^C~A 2
(298.15 K) =
298.15 <T< 2750.00 : 8519.353 + 142.045475 2 6 . 4 7 1 1 - InT
+ 2.03475E04 2 3.5012E07 3 + 93399 1
2750.00 < < 1000.00 : 37669.3 + 271.720843 41.77
+ 1.528238+32 "9
N i o b i u m feeAl
GFCC N b = Gfa-M(T) - H^CC~A 2(298.15 K) =
298.15 < < 6000.00 : 13500 + 1.7 + GHSER N b
Niobium hcpA3
GHCP N b = G N c b p_A3 (T) H^cc-A 2
(298.15 K) =
298.15 < < 5000.00 : 10000 + 2 . 4 + GHSER N b
N i o b i u m liquid
GLIQ N b = G N r d ( T ) H^CC~A 2
(298.15 K) =
298.15 <T< 2750.00 : 29781.55510.816417
3.06098E23 7
+ GHSERNb
298.15 <T< 2750.00 : 30169.910.9647 1.52824E+32 "9
+ GHSERNb

SILICON

Silicon d i a m o n d
GHSERsi = G d > m o n d (T) tf|;diamond(298.15 K) =
298.15 <T< 1687.00 : 8162.609 + 137.236859 22.8317533
1.912904E3 2 0.003552E6 3 + 176667 " 1
1687.00 << 3600.00 : 9457.642 + 167.281367 27.196
420.36928 " 9
Silicon b c c A 2
GBCCsi = G?C~A 2(T) - tf|di,m,ond(298.15 K) =
298.15 < < 1687.00 : 47000.0 22.5 + GHSER S
Silicon ebeeA12
Thermodynamic Properties of the Elements 385

G cbccAi2 ( r ) _ H:di&mond(298.15 K) =
298.15 <T< 6000.00 : 50208.0 20.377 + GHSER S
Silicon cubA13
G|V b ' 413 (T) tf|;diamond(298.15 ) =
298.15 <T< 6000.00 : 47279.0 20.377 + GHSER s i
Silicon f c c A l
fee-Al^ _ ^o.diamond^gg ^ jg _

298.15 <T< 6000.00 : 51000.00 21.8 + GHSER si


Silicon hcpA3
G^P~A3(T) - // s ; diamond (298.15 K) =
298.15 < < 6000.00 : 49200 20.8 + GHSER S
Silicon liquid
Gs q u i d (T) #!; diamond (298.15 K) =
298.15 < < 1687.00 : 50696.4 30.0994 + 2.09307E21 7
+ GHSERsi
1687.00 < < 6000.00 : 49828.2 29.5591 + 4.20369+30 '9
+ GHSERsi

TANTALUM

Tantalum bec.42
GHSERxa = G^ C " A 2 (T) //Tkbcc_/12(298.15 K) =
298.15 <T< 1300.00 : 7285.889 + 119.139858 23.7592624 InT
0.002623033 2 + 1.70109E07 3 3293 " 1
1300.00 < < 2500.00 : 22389.955 + 243.88676 41.137088
+ 0.006167572 2 6.5513607 3 + 2429586 " 1
2500.00 < < 3258.00 : + 229382.886 722.59722 + 78.5244752
0.017983376 2 + 1.9503307 3 93813648 " 1
3258.00 < < 6000.00 : 963392.734 + 2773.7774 337.227976
+ 0.039791303 2 9.74251 07 3
+ 5.09949511+08 " 1
Tantalum f c c A l
GFCCja = Gm~M(T) - H0^cc-A 2(298.15 ) =
298.15 << 6000.00 : 16000 + 1.7 + GHSER Ta
386 Thermochemical Database for Light Metal A lloys

Tantalum hepA3
GHCPTa Gjcp~A 3(T) - H^c-A 2(298.15 K) =
298.15 < < 6000.00 : 12000 + 2.4 + GHSERT.
Tantalum liquid
CLIQxa = GTquid(T) H^C~A 2(298.15 K) =
298.15 < < 1000.00 : 29160.975 7.578729
+ GHSERTa
1000.00 <T< 1300.00 : 51170.228181.121652 + 23.7872147 InT
0.009707033 2 + 4.4449E07 3 3520045 " 1
+ GHSERT.
1300.00 < < 2500.00 : 66274.294 305.868555 + 41.1650403
0.018497638 2 + 1.26973506 3 5952924 " 1
+ GHSERja
2500.00 < < 3290.00 : 185498.547 + 660.615425 78.4965229
+ 0.00565331 2 + 4.1956607 3 + 90290310 ~
+ GHSERTa
3290.00 << 6000.00 : 1036069.472727.38037 + 320.319132
0.043117795 2 + 1.05514806 3
5.54714342+08 " 1 + GHSERTa

TIN

Tin bctA5
GHSERsn = Gf-A *(T) - H^ci~A 5
(298.15 ) =
100.00 <T< 250.00 : 7958.517 + 122.765451 25.858
+ 0.511853 2 3.1927676 3 + 18440 ~
250.00 < < 505.078 : 5855.135 + 65.443315 15.961
18.87023 2 + 3.1211676 3 61960 " 1
505.078 < < 800.00 : 2524.724 + 4.005269 8.2590486
16.8144293 2 + 2.6231316 3 1081244
123.0723 ~9
800.00 << 3000.00 : 8256.959 + 138.99688 28.4512
123.0723 " 9
Tin bccA2
GBCCsn = Gl'c-A 2(T) - ;-(298.15 ) =
100.00 << 3000.00 : 4400.00 6.0 + GHSERSn
Thermodynamic Properties of the Elements 387

Tin f c c A l
GFCCsn = &~1() H'bct~A b
(298.15 K) =
100.00 < < 3000.00 : 5510.08.46 + GHSER Sri
Tin h c p A 3
GHCPsn = Glcnc-A 2(T) - H'bctA' 5
(298.15 K) =
100.00 < 3000.00 : 3900.00 4.4 + GHSER S
Tin liquid
GLIQsn = G^ quid (T) // s ' bct 45 (298.15 K) =
100.00 <T< 505.078 : 7103.09214.087767 + 1.47031E18T 7
+ GHSERsn
505.078 <T< 3000.00 : 6971.58713.814382 + 1.2307E+25 " 9
+ GHSERsn

TITANIUM

T i t a n i u m hepA3
_ /ihcp A3
GHSERTI (T) - H^cp-A3 (298.15 K) =
- ^Tl
298.15 900.00 : 8059.921 + 133.615208 23.9933 InT
<T <
4.777975E3 2 + 0.106716E6 3 + 72636 " 1
900.00 <T< 1155.00 7811.815 + 132.988068 23.9887
4.20333 2 0.0908766 3 + 42680 " 1
1155.00 <T< 1941.00 908.837 + 66.976538 14.9466
8.14653 2 + 0.2027156 3 1477660 " 1
1941.00 <T< 4000.00 124526.786 + 638.806871 87.2182461 -
+ 8.2048493 2 0.3047476 3
+ 36699805 " 1
Titanium bccA2
GBCCT = Gbcc-A2/rp\
T
tfT:hcp'43(298.15 ) =

298.15 <T< 1155.00 1272.064 + 134.71418 25.5768


0.6638453 2 0.2788036 3 + 7208 '1
1155.00 <T< 1941.00 6667.385 + 105.366379 22.3771
+ 1.217073 2 0.845346 3 2002750 " 1
1941.00 <T< 4000.00 26483.26 182.426471 + 19.0900905
22.008323 2 + 1.2288636 3 + 1400501 '
388 Thermochemical Database for Light Metal A lloys

Titanium cbccA12
(jebce-An^ _ tf.hcp3(298 1 5 Rj =

298.15 <T< 6000.00 : 4602.2 + GHSERTi


Titanium bctA5
&-5() - H^cp-A 3(298.15 K) =
298.15 < < 6000.00 : 4602.2 + GHSERTi
Titanium cubAl3
Gff-Aa(T) - H^cp-A 3(298.15K) =
298.15 <T< 6000.00 : 7531.2 + GHSERTi
Titanium diamond
Cp A 3
() _ H^ ~ (298.15 K) =

298.15 << 6000.00 : 25000.00 + GHSERTi


Titanium fccAl
G**-M(T) - H^cp-A 3(298.15K) =
298.15 <T< 6000.00 : 6000.00.1 + GHSERTi
Titanium LavesC l4
GTvn~CU(T) - 3.0 //Thcp/,3(298.15 ) =
298.15 <T< 6000.00 : 15000.0 + 3.0 GHSERT
Titanium LavesC l5
GTTT" C H (T) 3.0 //T;hcp'43(298.15 ) =
298.15 <T< 6000.00 : 15000.0 + 3.0 GHSERTi
Titanium liquid
GTquid(T) T;hcp'43(298.15 ) =
298.15 << 1300.00 : + 12194.415 6.980938 + GHSERTi
1300.00 << 1941.00 + 368610.36 2620.999038 + 357.005867
155.26285503 2 + 12.25440206 3
65556856 " 1 + GHSERTi
1941.00 << 6000.00 : +104639.72340.070171 + 40.9282461
8.20484903 2 + 0.30474706 3
36699805 " 1 + GHSERTi
Thermodynamic Properties of the Elements 389

TUNGSTEN

Tungsten b c c A 2
GHSERw = Gy5c-A 2(T) - Htfcc~A 2(298.15 K) =
298.15 <T< 3695.00 : 7 6 4 6 . 3 1 1 + 1 3 0 . 4 24.1 InT
0.001936 2 + 2.07E07 3 + 44500 " 1
5.3311 4
3695.00 < < 6000.00 : 82868.801 + 389.362335 54
+ 1.528621+33 '9
Tungsten f c c A l
GFCCw = G%C~A (T) - Htfcc~A 2(298.15 ) =
298.15 <T< 3695.00 : 11653.689 + 131.03 24.1
0.001936 2 + 2.0707 3 + 44500 " 1
5.3311 4
3695.00 < < 6000.00 : 63568.801 + 389.992335 54
+ 1.528621+33 '9
Tungsten h c p A 3
GHCPw = Gw'f'^T) // w b c c ' 4 2 (298.15 ) =
298.15 <T< 3695.00 : 7103.689 + 130.4 24.1
0.001936 2 + 2.0707 3 + 44500 " 1
5.3311 4
3695.00 << 6000.00 : 68118.801+389.362335 54
+ 1.528621 +33 " 9
Tungsten liquid
GLIQw = G^ quid (T) Hhcc-A 2(298.15 ) =
298.15 < < 3695.00 : 44514.273 + 116.29001 24.1
0.001936 2 + 2.0707 3 + 44500 " 1
5.3311 4 2.71346824 7
3695.00 < < 6000.00 : 30436.051 + 375.175 54

VANADIUM

Vanadium bec2
GHSERv = G 0 / 0 "' 42 () // v ' bcc ' 42 (298.15 K) =
298.15 <T< 790.00 : 7930.43 + 133.346053 T 24.134 T InT
3.098E3 T 2 + 0.12175E6 T 3 + 69460 T'1
390 Thermochemical Database for Light Metal A lloys

790.00 < < 2183.00 : 7967.842 + 143.291093 25.9 InT


+ 0.0625E3 2 0.68E6 3
2183.00 << 4000.00 : 41689.864+321.140783 47.43
+ 644.38929 " 9
Vanadium fccAl
GFCCv = C%c-A l(T) - // v ' bcc /l2 (298.15 K) =
298.15 < < 4000.00 : 7500.0 + 1.7 + GHSERv
Vanadium hcpA3
GHCPv = Gycp-A 3(T) - Hhcc-A 2(298.15 K) =
298.15 < < 4000.00 : 4000.0 + 2.4 + GHSERv
Vanadium liquid
GLIQv = G'vquid(T) HyMc~A 2
(298.15 K) =
298.15 <T< 2183.00 : 20764.1179.455552 5.19136E22 7
+ GHSERy
2183.00 <T< 6000.00 : 22072.35310.0848 6.44389E+31 T~9
+ GHSERv

YTTRIUM

Yttrium hcpA3
GHSERy = GyCP~A 3(T) - ~3 (298.15 K) =
298.15 <T < 1500.00 : -7347.055 + 117.532124 - 23.8685 InT
- 0.003845475 2 + 1.1125E-08 3 - 16486 '1
1500.00 <T < 1799.00 : -15802.62+229.831717 - 40.2851
+ 0.0068095 2 - 1.14182-06 3
1799.00 <T < 3700.00 : - 72946.216 + 393.885821 - 58.2078433
+ 0.002436461 2 - 7.2627-08 3 + 20866567 "
Yttrium bccA2
GBCCY =
_ /~<bee-A2
(T) 1Ho,bep-A3^298 15 ) _

298.15 <T < 1752.00 - 1861.198 + 97.522398 - 20.940576


- 0.007995833 2 + 7.58716-07 3 - 54349 " 1
1752.00 <T< 1799.00 - 10207.724 + 195.741984 - 35.0201
1799.00 <T < 3700.00 + 104813.954 - 386.167564 + 39.8075986
Thermodynamic Properties of the Elements 391

Yttrium liquid
GLIQY = GYquid(T) //Y'hcp'43(298.15 K) =
298.15 <T< 1799.00 : 3934.121+59.921688 14.8146562 InT
0.015623487 2 + 1.442946E06 3
140695 " 1
1799.00 << 3700.00 : 13337.609+258.004539 43.0952
0.019918739 2 + 8.4130807 3
31549963 " 1

ZINC

Zinc hcpZn
GHSERzn = G Zn p_Zn (T) //^ hcp_Zn (298.15 K) =
298.15 <T< 692.68 : 7285.787 + 118.470069 23.701314
1.712034E3 2 1.2649636 3
692.68 << 1700.00 : 11070.559 + 172.34566 31.38
+ 470.51424 '9
Zinc hepA3
GzP~A3{T) - //zr,hcp_Zn(298.15 ) =
298.15 <T< 1700 : 2970 1.57 + GHSERZn
Zinc bccA2
GBCCzn = G\^-A 2(T) - ^-(298.15 ) =
298.15 < < 6000.00 : 2886.96 2.5104 + GHSERZn
Zinc bctA5
G bet A5/rr,\ W
rjo, hepZn
Zn U ) - Zn =

298.15 < < 6000.00 : 2886.96 2.5104 + GHSERZ


Zinc fccAl
C^n-Al(T) - /nhcpZn(298.15 K) =
298.15 <T< 6000.00 : 2969.821.56968 + GHSERZ
392 Thermochemical Database for Light Metal A lloys

Zinc liquid
G z quid Cn ^znhcp_/13(298.15 K) =
298.15 < T < 692.68 : 7157.21310.29299 3.5896E19 7
+ GHSERzn
692.68 < < 1700.00 : 7450.16810.737066 4.7051 +26 " 9
+ GHSERMn

ZIRCONIUM

Zirconium hcpA3
GHSERZr = G; hcp A3 (T) H*cp-A 3(298.l5 K) =
298.15 < < 2128.00 : 7827.595 + 125.64905 24.1618
4.377913 2 + 34971 " 1
2128.00 << 4000.00 : 26085.921+262.724183 42.144
1342.89528 ~9
Zirconium bccA2
GBCCzr = Gz r bccA2 (T) //^hcp'43(298.15 ) =
298.15 <T< 2128.00 : 7302.0560.70335 1.445606
+ 4.0378263 2 9.72897359 3
7.614289411 4 9737.0 ~ + GHSERZr
2128.00 << 4000.00 : 4620.034 + 1.55998 + 1.41035+32 " 9
Zirconium fccAl
GFCCzr = G%rA l(T) - H^cp-A 3(298.15 ) =
130.00 < < 4000.00 : 7600.00 0.9 + GHSERZr
Zirconium liquid
GLIQzr = G z quid (T) J/hcp'*3(298.15 K) =
130.00 < < 2128.00 + 18147.703 9.080762 + 1.6275E22 7
+ GHSERzr
2128.00 <T< 4000.00 + 17804.649 8.91153 + 1.343E+31 " 9
+ GHSERzr
Zirconium LavesGl4
GZr,LavMC14 _ ^Q ^P-A S^g 15 R j _

298.15 < < 6000.00 : 15000.0 + 3.0 GHSERZr


Thermodynamic Properties of the Elements 393

Zirconium Laves-Gl5
CznZ?VM~C15 - 3 0 ^z;hcp_/,3(298.15 K) =
298.15 < < 6000.00 : 15000.0 + 3.0 GHSERZr
Zirconium Laves-C36
ClnzT" - 0 3 6 - 3.0 H^cp-A3 (298.15 K) =
298.15 < < 6000.00 : 15000.0 + 3.0 GHSERZr
Magnetic Parameters of the Elements 395

A P P E N D I X II: M A G N E T I C C O N T R I B U T I O N TO T H E G I B B S E N
E R G I E S OF T H E P U R E E L E M E N T S (S.I. units) '

G mag _ R ln (mag + \)g(T)

Chromium
Chromium bccA2

T N ,(bcc.42,Cr) = 311.5 /5 ma9 (bccA2,Cr) = 0.008


Chromium feeAl

T N ,(fccAl,Cr) = 369.667 /? m s (fccAl,Cr) = 0.82


Chromium h c p A 3

T N ,(hcpA3,Cr) = 369.667 /3 m 3(hcp/13,Cr) = 0.82


Iron
Iron b c c A 2
m 3
T c ,(bcc/42,Fe) = 1043.0 /3 " (bccA2,Fe) = 2.22
Iron feeAl

T c ,(fccAl,Fe) = 1043.0 /3 mas (fccAl,Fe) = 2.22


Manganese
Manganese cbcc,412

T N ,(cbccA12,Mn) = 95.0 /? mai (cbccA12,Mn) = 0.22


Manganese becA2
T N ,(bcc.42,Mn) = 580.0 /3 mas (bccA2,Mn) = 0.27
Manganese feeAl

T N ,(fccAl,Fe) = 540.0 /3 ma3 (fccAl,Mn) = 0.62


Manganese hepA3

T N ,(hrpA3,Fe) = 540.0 /J ma s(hcpA3,Mn) = 0.62


'Scientific Group Thermodata Europe (S.G.T.E.) Data for Pure Elements, A.T. Dinsdale, Cal
phad, 15, 4, 3 1 7 425 (1991).
396 Thermochemical Database for Light Metal Alloys

Nickel

Nickel b c c - A 2

T c ,(bcc-A2,Ni) = 575.0 /? mos (bcc-A2,Ni) = 0.85


Nickel f c c - A l

T c ,(fcc-Al,Ni) 633.0 /3 mas (fcc-Al,Ni) = 0.52


Nickel h c p - A 3
mos
T c ,(hcp-A3,Ni) 633.0 r3 (hcp-A3,Ni) = 0.52

bcc-A2

for = < Tc g(r) 1 - 0.905299383 " 1 - 0.153008346 3


- 0.00680037095 9 - 0.00153008346 1 5
for = Tc < g(r) - 0.0641731208 " 5 - 0.00203724193 " 1 5
- 4.27820805E-04 " 2 5

cbcc-Al2

for = T < T C g(r) 1 - 0 . 8 6 0 3 3 8 7 5 5 T - 1 - 0.17449124 3


- 0.00775516624 9 - 0.0017449124 1 5
for = Tc < g(r) - 0.0426902268T-5 - 0.0013552453T"15
- 2.84601512E-04T- 25

fcc-Al

for = < Tc g(T) 1 - 0 . 8 6 0 3 3 8 7 5 5 T " 1 - 0.17449124 3


- 0.00775516624 9 - 0.0017449124 1 5
for = Tc < g(r) - 0 . 0 4 2 6 9 0 2 2 6 8 T - 5 - 0.001 3 5 5 2 4 5 3 T - 1 5
- 2.84601512-04- 25

hcp-A3

for = T < T C g(r) 1 - 0 . 8 6 0 3 3 8 7 5 5 T - 1 - 0.1 7 4 4 9 1 2 4 T 3


- 0.00775516624 9 - 0.0017449124 1 5
for = Tc < g(T) - 0 . 0 4 2 6 9 0 2 2 6 8 T " 5 - 0.0013552453- 15
- 2.84601512-04" 25
European Commission

EUR 18171 COST 507

Thermochemical database for light metal alloys (Volume 2)

/. Ansara, A. T. Dinsdale, M. H. Rand

Luxembourg: Office for Official Publications of the European Communities

1998 XI, 396 pp. 17.6 25 cm

Volume 2: ISBN 92-828-3902-8


Volumes 1 to 3: ISBN 92-828-3900-1
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