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0
0.1
q
0
1
How do we find out?
Theory
Solve Kohn-Sham
Equations (QM)
Approximations
35
30
25
20
15
10
T
e
m
p
e
r
a
t
u
r
e
D
e
r
i
v
a
t
i
v
e
o
f
G
,
-
d
G
/
d
T
(
M
P
a
K
-
1
)
140 120 100 80 60 40 20 0
Pressure (GPa)
MgSiO
3
Perovskite
2500 K
Marton & Cohen
(2002)
Wentzcovitch et al.
(2004)
Oganov et al.
(2002)
q
S
~
q
S
~q
q
S
~q
q
S
=q
S0
Pressure, Temperature,
Composition
P/T themselves depend on
material properties
Pressure: Self-gravitation
modified significantly by
compression
Temperature: Self-
compression, energy,
momentum transport
Composition
Heterogeneous
Crust/Mantle/Core
Within Mantle?
Pressure, Temperature,
Composition
Pressure
Combine
K=bulk modulus
Must account for phase
transformations
350
300
250
200
150
100
50
0
P
r
e
s
s
u
r
e
(
G
P
a
)
6000 4000 2000 0
Depth (km)
Inner
Core
Outer
Core
Lower
Mantle
T
r
a
n
s
i
t
i
o
n
Z
o
n
e
U
p
p
e
r
M
a
n
t
l
e
PREM
cP
cr
= (r)g(r)
cP
c
=
K
Temperature
Constraints: near surface
Heat flow
Magma source
Geothermobarometry
Constraints: interior
Phase transformations
Grneisen parameter
Physical properties
Properties of Isentrope
AT1000 K
Verhoogen effect
Questions
Boundary layers?
Non-adiabaticity?
2800
2600
2400
2200
2000
1800
1600
T
e
m
p
e
r
a
t
u
r
e
(
K
)
3000 2000 1000 0
Depth (km)
Composition
Constraints: extraterrestrial
Nucleosynthesis
Meteorites
Constraints: near surface
Xenoliths
Magma source
Constraints: Interior
Physical properties
Fractionation important
Earth-hydrosphere-space
Crust-mantle-core
Mantle homogeneous
because well-mixed?
Not in trace elements
Major elements?
Pyrolite/Lherzolite/Peridotite/
Phases
Upper mantle
Olivine, orthopyroxene,
clinopyroxene,
plagspinelgarnet
Transition Zone
OlivineWadsleyiteRingwoo
dite
Pyroxenes dissolve into garnet
Lower mantle
Two perovksites + oxide
What else?
Most of interior still relatively
little explored
Radial Structure
Influenced by
Pressure
Phase
transformation
Temperature
6.5
6.0
5.5
5.0
4.5
4.0
3.5
S
h
e
a
r
W
a
v
e
V
e
l
o
c
i
t
y
(
k
m
s
-
1
)
600 400 200 0
Depth (km)
plg
sp
ol
wa
ri
opx cpx
C2/c
gt
mj
capv pv
mw
ak
Radial Structure of Pyrolitic
Mantle
Lower mantle
Questions
Homogeneous in
composition, phase?
Problems
Physical properties at
lower mantle conditions
Phase transformations
within lower mantle?
5.5
5.0
4.5
4.0
3.5
D
e
n
s
i
t
y
(
g
c
m
-
3
)
3000 2000 1000 0
Depth (km)
Pyrolite
100 Ma
Radial Structure of Pyrolitic
Mantle
Upper Mantle and
Transition Zone
Shallow discontinuities
Local minimum
410, 520,660
High gradient zone at
top of lower mantle
Questions
Role of anisotropy
Role of attenuation
4.6
4.4
4.2
4.0
3.8
3.6
3.4
3.2
D
e
n
s
i
t
y
(
g
c
m
-
3
)
1000 800 600 400 200 0
Depth (km)
Pyrolite
100 Ma
Radial Structure of Pyrolitic
Mantle
Discontinuities
Questions:
Structure as
f(composition)
How well do we know
phase equilibria?
4.4
4.3
4.2
4.1
4.0
3.9
3.8
D
e
n
s
i
t
y
(
g
c
m
-
3
)
700 680 660 640 620 600
Depth (km)
Origin of Mantle Heterogeneity
Mantle Heterogeneity
Temperature
Most physical
properties depend on
temperature
Elastic constants mostly
decrease with
increasing T
Rate varies
considerably with P, T,
composition, phase
Few measurements,
calculations at high P/T
Dynamics: thermal
expansion drives
350
300
250
200
150
100
50
0
E
l
a
s
t
i
c
M
o
d
u
l
u
s
(
G
P
a
)
2000 1500 1000 500 0
Temperature (K)
C
11
C
12
C
44
Periclase
P=0
Anderson &
Isaak (1995)
Mantle Heterogeneity
Phase
Mantle phase
transformations are
ubiquitous
Phase proportions
depend on T: vary
laterally
Different phases have
different properties
Dynamics: heat, volume
of transformation
modifies
1.0
0.8
0.6
0.4
0.2
0.0
A
t
o
m
i
c
F
r
a
c
t
i
o
n
30 25 20 15 10 5
Pressure (GPa)
ol wa ri
opx
cpx
gt
pv
Ca-pv
mw
il
C2/c
Pyrolite
Stacey Geotherm
150 450 300 600 750
Depth (km)
Mantle Heterogeneity
Composition
Physical properties
depend on composition
Phase proportions
depend on composition
Major element
heterogeneity is
dynamically active
Origin of Lateral Heterogeneity
Temperature Composition
Phase
Differentiation
Radioactivity
Chemical
Potential
Entropy
Latent
Heat