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Optimal operation of alloy material in solidification processes with inverse heat transfer

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ICHMT-02110; No of Pages 6

j o u r n a l h o m e p a g e : w w w. e l s e v i e r. c o m / l o c a t e / i c h m t

A. Abbas Nejad a, M.J. Maghrebi a, H. Basirat Tabrizi b,, Y. Heng c, A. Mhamdi c, W. Marquardt c

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a

b

c

Department of Mechanical Engineering, Shahrood University of Technology, P.O. Box 3619995161-316, Shahrood, Iran

Department of Mechanical Engineering, Amirkabir University of Technology, P.O. Box 15875-4413, Tehran, Iran

AVT-Process Systems Engineering, RWTH Aachen University, D-52056 Aachen, Germany

i n f o

a b s t r a c t

RO

a r t i c l e

A transient nonlinear inverse heat transfer problem arising from alloy solidication processes is considered.

In practice, the solidus and liquidus interface motions and thus the mushy zone thicknesses are pre-given to

control the material quality. To achieve the desired front motions, the required time-dependent boundary

conditions have to be predicted on both mold sides simultaneously. In this study, the enthalpy method is

used for the derivation of governing equations. Hence, the inverse problem will be solved only in a single

spatial and temporal domain. The conjugate gradient method with adjoint equation is applied for the

resulting minimization problem. The method is applied as comparison for pure material with other previous

studies. Then, alloy material with different front velocities is set up to investigate the solidication process.

The obtained results show a close agreement between the desired and computed front motions and mushy

zone thickness.

2010 Elsevier Ltd. All rights reserved.

DP

Keywords:

Inverse heat Transfer

Alloy solidication

Conjugate gradient

Mushy zone thickness

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1. Introduction

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in many important material processing technologies such as welding,

casting and crystal growth. The scale of microstructures, crystallographic growth morphology and grain orientation in a solidication

process are closely related to the macroscopic features of the product.

During the solidication of pure material, the interfacial microstructures and solidied material quality largely depend on interface

velocity and the solidliquid side temperature gradient [1]. Hence, the

desired material structures with specied properties and qualities can

be achieved by controlling the interface velocity and temperature

gradient. Also the solidus and liquidus front motions and thus mushy

zone thickness are important factors which dene the crystallographic growth morphology, the scale of microstructures and the freckle

formation of alloys [1]. For example, freckles form in regions with high

local solidication times (LST). In other words, it happens in slow

solidifying processes with large mushy zone thickness. Therefore, the

thin mushy zones are needed to avoid freckle formation [2].

This research aims to study the control of front motion and mushy

zone thickness of alloys during solidication to reach a desired

material quality. Inverse heat transfer methods are applied to get

time-dependent boundary conditions on both sides of the mold which

lead to the desired front positions or velocities.

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control of solidication. Zabaras et al. [3] proposed an integral

method with boundary element approach to nd the required

boundary heat ux for a desired interface velocity. Zabaras et al. [4]

solved the inverse Stefan's design problem using the spatial

smoothing and modication of Beck's future information method

using nite element technique. Zabaras and Yuan [5] used a dynamic

programming methodology for the inverse design of Stefan's problem.

Zabaras and Kang [6] found the time history of boundary heat ux for

controlling the interface movement in a 2D geometry using adjoint

method. The effect of natural convection in liquid phase was

considered in several research works including Zabaras et al. [710].

All foregoing studies were based on front xing and front-tracking

nite element method which distinguish the two phases and solve the

problem for every phase, separately.

Frankel and Keyhani [11] and Hale et al. [12] proposed a weighted

residual method for the independent control of the interfacial

temperature gradient and velocity during solidication. Xu and

Naterer [1315] used experimental and numerical techniques to

control velocity and acceleration of a pure material. Their numerical

approach relies on an enthalpy formulation using a control volume

based nite element method and a non-gradient-based iterative

inverse solution. Voller [16] presented an enthalpy method based on a

xed domain. The discretized equation was obtained by a nite

volume formulation with future time-stepping. Recently, Okamoto

and Li [17] used sequential and whole domain with Tikhonov

regularization methods to predict the boundary heat ux. They used

a deforming nite element method to solve the governing equations.

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OF

heat transfer

Corresponding author. Tel.: +98 21 64543455; fax: +98 21 66419736.

E-mail address: hbasirat@aut.ac.ir (H. Basirat Tabrizi).

0735-1933/$ see front matter 2010 Elsevier Ltd. All rights reserved.

doi:10.1016/j.icheatmasstransfer.2010.03.002

Please cite this article as: A. Abbas Nejad, et al., Int. Commun. Heat Mass Transf. (2010), doi:10.1016/j.icheatmasstransfer.2010.03.002

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A. Abbas Nejad et al. / International Communications in Heat and Mass Transfer xxx (2010) xxxxxx

T1:1

Nomenclature

T1:2

T1:3

T1:4

T1:5

T1:6

T1:7

T1:8

T1:9

T1:10

T1:11

T1:12

T1:13

T1:14

T1:15

T1:16

T1:17

T1:18

T1:19

T1:20

T1:21

T1:22

a

b

c

d

e

fs

H

k

L

q

s

Ste

t, tf

T

Tf

Tliq

Tsol

T0

V

x

T1:23

T1:24

T1:25

T1:26

T1:27

T1:28

T1:29

T1:30

T1:31

T1:32

T1:33

Greek symbols

small variation

threshold parameter

Lagrange multiplier

conjugate coefcient

adjoint variable

measurement error

s[q(t)] objective function gradient

T1:34

T1:35

T1:36

T1:37

T1:38

T1:39

subscripts

i

initial value

l

liquid phase

RMS

root mean square

s

solid phase

T1:40

T1:41

T1:42

superscripts

k

iteration number

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122

solidication of alloy material is illustrated in Fig. 1. There are two moving

interfaces namely solidus and liquidus which need to be controlled to

achieve the desired material quality. The governing equations of the

problem in enthalpy form are non-dimensional form as follows:

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x=

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x

t

TTf P

H

;

;H =

; t = 2l ; T =

Tf T0

a

cl Tf T0

a

L

qt a

k

;q=

;k =

cl Tf T0

kl Tf T0

kl

TE

Ste =

RR

EC

where, a is the mold length, Tf, Tsol and Tliq are fusion, solidus and 128

129

liquidus temperatures and L is the latent heat of the fusion. l, Cpl and 130

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using a steepest descent method.

Most of the studies cited in the literature used a deforming grid and

solved two sets of equations for liquid and solid, separately. Only a few

studies were based on a xed grid solution (enthalpy method) using

Beck's method. All the investigations devoted to the pure materials which

have a distinct phase change at a specied phase change temperature and

an interface between solid and liquid phases. Some of the previous

researchers studied the solidication of eutectic alloy material where the

mushy zone was ignored. They solved inverse problem for solid and

liquid zones with one interface between them [7,8].

In this study, the solidication control problem of alloy material is

formulated as a nonlinear inverse heat transfer problem. The enthalpy

formulation does not consider phases, separately. The control

problem is solved in a single spatial and temporal domain. Three

zones including solid, liquid and mushy with two different interfaces

solidus line and liquidus line are considered for alloy material.

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non-dimensional mold length

Heat capacity [J/kg K]

direction of descent

error

solid fraction

enthalpy [J/kg]

thermal conductivity [W/m K]

Latent heat of fusion [J/kg]

heat ux [W/m2]

objective function

Stefan number Ste = L/cl(Tf T0)

time, nal time [s]

temperature [K]

melting point [K]

liquidus temperature [K]

solidus temperature [K]

reference temperature [K]

front velocity

spatial coordinate [m]

temperature at the desired solid liquid interface for pure material.

Also the solidus and liquidus temperatures must maintain at the

desired solid mushy (solidus) and mushy liquid (liquidus) front

locations at desired times. Hence, an objective function is dened for

the control problem based on the difference between the fusion,

solidus and liquidus temperatures and computed temperatures at the

desired front positions. The conjugate gradient method is applied to

minimize the objective function. The optimal boundary heat uxes on

both sides of the mold are computed simultaneously to achieve

the desired mushy zone thickness. Several case studies for different

interface motions are sought.

The paper is organized as follows. In Section 2, the mathematical

problem formulation in enthalpy form is given and the control task is

stated in terms of an inverse heat transfer problem. In Section 3, a

conjugate gradient based optimization approach for the solution of

the formulated control problem is preformed. In Section 4, two

simulation case studies for pure and alloy material are set up to

validate and assess the performance of the solution approach. Finally,

in Section 5 some concluding remarks are given.

Please cite this article as: A. Abbas Nejad, et al., Int. Commun. Heat Mass Transf. (2010), doi:10.1016/j.icheatmasstransfer.2010.03.002

ARTICLE IN PRESS

A. Abbas Nejad et al. / International Communications in Heat and Mass Transfer xxx (2010) xxxxxx

133

134

the liquid phase, respectively. The general non-dimensional form of

the governing heat transfer equations where the sign over the nondimensional parameters neglected are as follows [19]:

H

T

=

kT

t

x

x

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T

x

137

138

T

x

x=0

= qs t

0 b x b b 0 b t tf ;

or H = Hi

0 b t tf ;

1c

0xb t = 0:

1d

h

i

k

k

di t = s qi t ; for k = 0;

h

i

k

k

k k1

di t = s qi t + i di t ; for other k;

Solid region

Mushy region

Liquid region

!

TTsol

:

Tliq Tsol

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TE

kT = fs T ks + 1fs T kl :

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sqs ; ql =

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t

2

0f Tsol T xs ; t; qs ; ql dt

t

0f

h

i2

Tliq T xl ; t; qs ; ql dt: 5

unknown heat uxes by minimizing the objective functions Eq. (5).

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and interface locations can be determined by using known boundary

heat uxes. The considered control problem corresponds to the

inverse problem, where the heat uxes qs(t) and ql(t) are unknown

functions and should be determined to impose a desired interface

motion (velocity or acceleration).

From the physical behavior of the alloy solidication, we know

that the temperatures are solidus and liquidus temperatures at the

solidmushy and mushyliquid interfaces, respectively. This is the

fusion temperature at solidliquid interface for pure material.

Therefore, controlling the interface motion requires that the temperature at the desired front locations remain at the fusion, solidus or

liquidus temperatures (Tf, Tsol, Tliq).

For given qs, ql, let T(xs, t; qs, ql) and T(xl, t; qs, ql) denote the

temperature eld which is determined from the solution of the direct

problem at the desired solidus and liquidus locations, respectively.

Thus, the solution of the inverse problem to determine the boundary

heat uxes qs and ql can be obtained by minimizing the L2-norm of the

difference between the calculated temperature at the desired solidus

and liquidus interfaces (xs, xl) and solidus and liquidus temperatures.

In other words, it can be obtained by minimizing the following

objective function.

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optimal search step size (ki ) and the gradient of boundary heat uxes

(s[qki (t)]). Their evaluation requires solving the sensitivity and

adjoint problems. The derivation of the sensitivity and adjoint

problems is presented in the following sections.

The following criterion is chosen to stop the iterative procedure:

h

i

k + 1

t b ;

s q

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n h

i

h

io h

i

t

0f s qki t s qk1

t s qki t dt

i

n

:

=

2 o

t

dt

t

0f s qk1

i

fraction or temperature:

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0i = 0

ki

and Tliq are the solidus and liquidus temperatures, respectively and fs

is the solid fraction obtained from following formula:

fs = 1

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expression:

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TbTsol

Tsol TTliq

T N Tliq

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follows:

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< cs T

H x; t = fs Hs + 1fs Hl

:

cl T + Ste

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where k denotes the iteration number. The iteration is started by using 185

186

q0i (t) = 0. The direction of descent dki (t) is updated from the following 187

formula:

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k k

t = qi t i di t ; i = s; l; t N 0

1b

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T = Ti

k + 1

qi

= ql t x = b

x=b

For the computation of the unknown heat uxes qs(t) and ql(t) by 182

the conjugate gradient method, the following general iteration 183

process is performed.

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1a

x = 0 0 b t tf ;

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and enthalpy T(x, t) and H(x, t) by a small amounts [19,20].

Replacing T(x, t) by [T + T], H(x, t)by [H + H], qs by [qs + qs] and

ql by [ql + ql] in the direct problem (Eqs. (1a)(1d)) and subtracting

the original direct problem from the resulting expressions, one

obtains:

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C T T

2

= 2 kT T

t

x

kT

x

kT

x

0bxbb

0 b t tf ;

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10a

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x=0

= qs t x = 0 0 b t tf ;

10b

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x=b

= ql t x = b

0 b t tf ;

10c

T = 0 0 x b t = 0 :

10d

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8

cs

>

>

>

<

f

C T = fs cs + 1fs cl + s cs Tcl TSte

>

T

>

>

:

cl

TbTsol

Solid region

Tsol TTliq

Mushy region

T N Tliq

Liquid region

Please cite this article as: A. Abbas Nejad, et al., Int. Commun. Heat Mass Transf. (2010), doi:10.1016/j.icheatmasstransfer.2010.03.002

11

ARTICLE IN PRESS

4

Eqs. (10a)(10d) for Tis used as follows.

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F1 A22 F2 A12

>

>

>

< A A A2 ; i = s

11 22

12

k

i =

>

> F2 A11 F1 A12

>

;i = l

:

A11 A22 A212

13d

tf

tf

k

k

k

k

F2 = Txs Tsol Tl;xs dt + Txl Tliq Tl;xl dt;

0

13e

obtained by setting q s = d ks , q l = 0 and q l = d kl , q s = 0,

respectively.

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equations by Lagrange multiplier(x, t), then integrate over spatial

and temporal domains and add the resulting expression to the cost

functional (Eq. (5)).

0f 10 x; t k

T

H

dxdt:

t

x2

i2

Tliq T xl ; t; qs ; ql dt +

14

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qs by [qs + qs], ql by [ql + ql] and s[qs, ql] by [s[qs, ql] + s[qs, ql]] in

Eq. (14), subtracting the result from Eq. (14), using the boundary and

initial conditions and further allowing terms containing T(x, t) to

vanish,:

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In this section, rst we introduce the method used for the solution

of direct problem for the validation purpose with some other

numerical simulations. Then the performance of the proposed inverse

approach is investigated by the solution of the inverse control

problem for a pure material which has one moving interface between

solid and liquid phases. The obtained solution is compared with

previous analytical [21] and numerical [3,16] solutions. Then, the

problem involving alloy solidication with two moving boundaries is

considered. The obtained solution is validated by comparing the

desired and computed front positions due to the lack of any other

numerical and experimental studies for controlling solidus and

liquidus front positions or mushy zone thickness.

The compact third order Runge Kutta along with central nite

difference method is applied to solve the direct, sensitivity and adjoint

equations. Temporal and spatial grid dimensions are assigned

according to the front velocities. Detailed discussion about the

approach and the results can be found in Abbas Nejad et al. [22].

To evaluate the performance of the direct solver, the solution of

direct PbSn alloy solidication problem with known boundary

conditions is compared with an existing numerical approach [23].

The comparison of the temperature history at x = 0.37 in Fig. 2 and the

solidus and liquidus front positions are illustrated in Fig. 3.

A special case of pure material solidication with constant velocity

at the interface with Ti = Tf = 0, Ste = 0.5 is considered to study the

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x; t

x; t

+ kT

C T

+ 2fTTsol xxs +

t

x2

0bxbb

h

i

TTliq xxl g = 0

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18b

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EC

RR

"

t

0f

18a

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t

2

0f Tsol T xs ; t; qs ; ql dt

17

descent and conjugate coefcient from Eqs. (7) and (8), respectively. 269

tf

tf

k

k

k

k

F1 = Txs Tsol Ts;xs dt + Txl Tliq Ts;xl dt;

sqs ; ql =

sqs t = 0; t ;

13c

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sql t = b; t :

tf

sq = 0f qsqt dt:

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Comparing the last two equations yields to the expressions for 262

calculation of the boundary heat ux gradients:

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tf

tf

2

2

k

k

A22 = Tl;xs dt + Tl;xl dt;

tf

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13a

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234

where, is the Dirac delta function. After eliminating the terms 255

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consisting T(x, t), only the following integral term is left.

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15d

where

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t = tf ; 253

sqs ; ql = 0f 0; t qs dt + 0f b; t ql dt:

tf

tf

2

2

k

k

A11 = Ts;xs dt + Ts;xl dt;

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0xb

RO

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222

12

=0

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A. Abbas Nejad et al. / International Communications in Heat and Mass Transfer xxx (2010) xxxxxx

0bttf ;

15a

=0

x

x = 0 0bttf ;

=0

x

x = b 0bttf

15b

15c

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A. Abbas Nejad et al. / International Communications in Heat and Mass Transfer xxx (2010) xxxxxx

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solution for the boundary heat ux can be obtained from the general

solution [21]:

2

V t

q0; t = 0:5 Ve

RO

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Fig. 5. A. Desired and computed front positions for Vl = 2, Vs = 1.25. B. Desired and

computed front positions for constant mushy zone thickness.

earlier, because the quality of solidied alloy material is largely

dependent on the solidus and liquidus front positions or mushy zone

thickness, the desired material quality for a certain application is

attained. As indicated in Fig. 5, there is a deviation from the desired

positions at the beginnings (t 0.06) which may be related to the

initial temperature of the liquid alloy.

A comparison of the higher and lower heat uxes (ql, qs) are shown

in Fig. 6 for different mushy zone thicknesses. The gure shows, the

lower heat ux qs decreases with an increase in the solidus velocity.

But any decrease in the lower heat ux leads to a fast movement of

both solidus and liquidus interfaces. Therefore, only heating is

required to damp the high liquidus velocity resulting from the high

cooling rate at the bottom boundary (qs) and maintain it at a desired

value as illustrated for high solidus velocities.

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and is shown in Fig.4. For comparison purpose, the analytical [21],

semi-analytical [3] and numerical [16] solutions are drawn. The

results reveal the accuracy of the present method except at the start of

solidication. This is due to the difculty of the solution of an optimal

control problem at initial times and initial temperature of the liquid.

Now, to evaluate the performance of the proposed method for

alloy material, the solidication of Pb10%Sn alloy is investigated with

the following non-dimensional thermo-physical properties: Ste =

0.86, Tf = 0, Tsol = 0.31, Tliq = 0.15, Ti = 0, ks = 1.5, kl = 1, cs = 1.1,

cl = 1.

It is assumed that the mold is initially lled with a liquid alloy having the melting point temperature above the liquidus

temperature.

Considering different solidus and liquidus front velocities, different mushy zone thicknesses may be taken. Different cases with thick,

moderate and thin mushy zone thicknesses are studied. The liquidus

velocity is chosen as Vl = 2 with different solidus velocities Vs = 0.25,

1.25, 1.75, where Vs and Vl are the solidus and liquidus front velocities

respectively. In order to have a constant mushy zone thickness with

Vl = 2, assume that Vs = 1for t [0, 0.06] and Vs = 2 for t N 0.06.

The desired and computed front positions are shown in Fig. 5A, B

for two different mushy zone thicknesses. It is obvious that the front

position values are asymptotically approaches to the desired values

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error =

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xdesired xcomputed

100;

xdesired

20

error remains within 5% after passing the transient times (t 0.06).

Further, to evaluate the difference between the desired and the

computed front positions, a relative root mean square error, eRMS, is

dened.

r

eRMS =

1 = M M

m = 1 xdesired;m xcomputed;m

r

1 = MM

m = 1 xdesired;m

21

100;

365

5. Conclusion

366

problem of alloy material as a nonlinear inverse heat transfer

problem. Instead of considering the solution for solid and liquid

phases separately, the proposed enthalpy formulation allows the

simplication of the solving procedure only in a single spatial and

temporal domain. It helps to overcome the difculty of connecting the

separate solid and liquid solutions at the interface and expected

computational time. The arising minimization problem has been

efciently solved by using the conjugate gradient method with adjoint

equation. Two moving solidus and liquidus front motions and thus

mushy zone thicknesses are controlled to achieve the desired material

quality. As the literature review indicates, this is the rst time that the

mushy zone thickness is controlled by estimation of two boundary

heat uxes (ql, qs) using inverse heat transfer methods. Simulation

case studies for pure and alloy materials have been set up and the

results indicated a good performance of the proposed solution

approach for the different front motions and even for constant

mushy zone thickness.

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t1:2

t1:3

t1:4

t1:5

t1:6

t1:7

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356

357

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UN

354

355

384

TE

363

364

where, M is the total number of time steps and x is the solidus or the

liquidus front position. The values of RMS error for solidus and

liquidus positions, the number of iterations needed for minimizing the

objective function and the objective function value for the last

iteration are listed in Table 1.

Table 1 indicates that the present approach has a very good

convergence and accuracy in all cases. Also, it can be observed that the

solution exhibits a better convergence for the thick mushy zones with

two moving sensors far from each other.

From the obtained results, it can be observed that the desired

mushy zone thickness which leads to a desired product quality is

achieved.

353

352

References

OF

341

342

initial temperature of the liquid alloy which is higher than solidus

temperature. From the results of Fig. 6, one notes that the bottom

boundary requires cooling only after it converges to a desired value

but for the upper boundary both cooling and heating is required.

To investigate the performance of the proposed method, the

relative error is dened as follows:

RO

339

340

A. Abbas Nejad et al. / International Communications in Heat and Mass Transfer xxx (2010) xxxxxx

DP

Table 1

Comparison of the objective function and RMS error for different mushy zone

thicknesses.

Solidus

velocity

Liquidus

velocity

Objective

function

Iteration

numbers

Solidus

eRMS%

Liquidus

eRMS%

0.25

1.25

1.75

2

2

2

2

2

3.1e4

4.078e4

8.33e4

3.69e4

25

41

64

70

7.23

4.25

6.43

5.86

4.72

5.63

7.15

4.70

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