HR: 14:40h
AN: MR33A-05    [Abstracts]
TI: Heat transport properties of mantle phases from ab initio calculations
AU: * Stackhouse, S
EM: sstackho@umich.edu
AF: Department of Geological Sciences, University of Michigan, 2534 C. C. Little Building, 1100 North University Ave, Ann Arbor, MI 48109-1005, United States
AU: Stixrude, L
EM: stixrude@umich.edu
AF: Department of Earth Sciences, University College London, Gower Street, London, WC1E 6BT, United Kingdom
AU: Karki, B B
EM: karki@bit.csc.lsu.edu
AF: Department of Computer Science, Louisiana State University, 283 Coates Hall, Baton Rouge, LA 70803, United States
AB: In order to be able to model the thermal state and dynamics of Earth's interior it is essential to have accurate values for the thermal diffusivity and thermal conductivity of the relevant mineral phases. At present, very little is known from theory or experiment at pressure-temperature conditions typical of most of deep Earth. In view of this, we have implemented two schemes that allow us to determine the thermal conductivity and diffusivity of insulators from ab initio calculations: 1) a reverse perturbation steady-state non-equilibrium molecular dynamics method, and 2) a technique based on the transient decay of a periodic non-equilibrium thermal profile. In both cases the forces driving the dynamics are computed within density functional theory. The two methodologies will be outlined, and preliminary results for MgO and Mg₂SiO₄ presented.
DE: 1212 Earth's interior: composition and state (7207, 7208, 8105, 8124)
DE: 1213 Earth's interior: dynamics (1507, 7207, 7208, 8115, 8120)
DE: 3900 MINERAL PHYSICS
DE: 5134 Thermal properties
DE: 5139 Transport properties
SC: Mineral and Rock Physics [MR]
MN: 2007 Fall Meeting