Mineral Physics: Modeling

from the Atomic to the

Global Scale
A Short Course

Dipartimento di Scienze della Terra,

Universitá degli Studi di Milano,
February 19-23, 2007

Lars Stixrude
University of Michigan
 Outline
Lectures

Mineralogy and petrology o f EarthÕsInterior

Day 1 1st hour: Composition and structure of EarthÕs interior
nd
Day 1 2 hour: Mineralogy and crystal chemi stry
st
Day 2 1 hour: Introduction to thermodynami cs

Physical properties of earth materials

Day 2 2nd hour: Elasticity and equation of state
st
Day 3 1 hour: Lattice dynami cs and statistical mechanics
nd
Day 3 2 hour: Transport properties

Frontiers
Day 4 1st hour: Melts and Fluids
Day 4 2nd hour: Electronic structure and ab initio theory
Day 5 1st hour: Buil ding a terrestrial planet

Practicals

Day 1: Constructing Earth models: Thermodynamic modeli ng

Day 2: First principles computation of physical properties: Quantum mechanical
sim ulation
Remaining Days. Student-driven research projects based on computational too ls used in
first two practicals.
 Composition and Structure of
Earth’s Interior
Lars Stixrude
University of Michigan

2/19/07 U. Milan Short Course

Pressure, Temperature,
Composition
Earth’s interior

Press & Siever

Earth structure

Seismology can tell us

VP, VS, (r, , )

What about Temperature and

Composition?

Dynamics, Differentiation, …

Connection through
mineralogical models

Van Heijst, Ritsema, Woodhouse (1999)

Earth history
Origin and early evolution
Thermal evolution
Formation of core and crust

How does it respond to

changes in
•Energy
•Stress
•Composition

Structure of planets

Capture with mineralogical

model
Upper Mantle Xenolith, Depth ~ 100 km
Red=garnet (gt); black=orthopyroxene (opx); green=clinopyroxene (cpx); yellow-
green=olivine (ol)
High pressure polymorphs

Many found in meteorites

Originally discovered in lab

Purple ringwoodite, high

pressure polymorph of olivine,
in the Tenham chondrite
(Spray, 1999)
 sp Mantle Phases
1.0 hpcpx capv
opx
plg 2000
0.8 cpx gt

Temperature (K)
1900
Atomic Fraction

ak
0.6
1800
mgpv
0.4 1700
ol wa ri

0.2 1600
fp
0.0 1500
0 200 400 600 800
Depth (km)
Wadsleyite (wa); Ringwoodite (ri); akimotoite (ak); Mg-perovskite (mgpv);
Ca-perovskite (capv); Ferropericlase (fp)
Stixrude et al. (2007) EPSL
Blue hydrous ringwoodite viewed in situ through the
diamond anvil cell, transformed in laser-heated spots to
perovskite+ferropericlase

Jacobsen and Lin (2005) Elements

 Earth Structure
6.5
capv

)
-1
Phase 6.0 pv
transformations

Shear Wave Velocity (km s

wa ri
5.5
Produce sp gt

discontinuities 5.0
hpcpx
ol
Thermometers 4.5 fp

Tests of geophysical opx cpx

4.0
models plg
3.5
0 200 400 600 800
Stixrude & Jeanloz (2007) Treatise Depth (km)
 Topography on
mantle
discontinuities

Flanagan and Shearer (1998) JGR

Deuss et al. (2006) Science
Influence of phase transitions on mantle
dynamics

Christensen (1995) Annual Reviews

 Influence of phase
transitions on mantle
dynamics and
chemistry

Xie and Tackley (2004)

Upper mantle ~ Geology + half-space cooling
Lower mantle ~ Subduction history
Transition zone?
Ritsema et al. (2004)
 Mantle Heterogeneity
Phase
40
high
ak in
attenuation
zone capv in
30 wa=ri

K )
-1
plg=sp
5 20
-dlnV S/dT (10 gt out

10
sp=gt opx=hpcpx

0 ol=wa
ri=pv+fp

-10
0 200 400 600 800
Stixrude et al. (2007) EPSL Depth (km)
Origin of Lateral Heterogeneity
Radioactivity

Temperature Composition
Differentiation

Phase
 Samples of the Transition Zone?

Haggerty and Sautter (1990)

Jeffrey W. Harris (2005) Cpx exsolution lamellae from garnet,

Ferropericlase inclusion in diamond Sao Jagersfontein Kimberlite, South Africa
Luiz alluvial deposit, Brazil
Magma from the Transition Zone?

Spinfex texture, Komatiite, scale ~ 1 cm

 Mantle Heterogeneity
Composition
• Physical properties
depend on composition
• Phase proportions
depend on composition
• Major element
heterogeneity is
dynamically active
 Long!
Time scale of re-equilibration
Hofmann and Hart (1978) EPSL
Allegré and Turcotte (1986) Nature
5
10
30 km
4
10
3
10 Stirring

Ý
Width (m)

2
10 10-15-10-16 s-1

1
10 Diffusion: ri

0
10
pv
-1
10
ol
-2
10 2 4 6 8 2 4 6 8
ol: Farber et al. (1994) Nature 10 100 1000
ri: Farber et al. (1994) Nature
pv: Yamazaki et al. (2000) PEPI Time (Ma)
Where’s the water?

Ohtani (2005) Elements

 Melt atop the 410?

Revenaugh and Sipkin (1994) Science

 Deep Earthquakes?

Green, Jung (2005)