HR: 1340h
AN: MR13A-0082    [Abstracts]
TI: Iron Melting Temperatures at the Earth's Core Pressures From 2-Phase Ab Initio Molecular Dynamics Simulations
AU: * Belonoshko, A B
EM: anatoly@fysik.uu.se
AF: Applied Materials Physics, Dept. Materials Sci. and Eng., The Royal Institute of Technology, Brinellvagen 23, Stockholm, 100 44 Sweden
AU: * Belonoshko, A B
EM: anatoly@fysik.uu.se
AF: Condensed Matter Theory, Dept. of Physics, AlbaNova University Center, The Royal Institute of Technology, Roslagstullbacken 13, Stockholm, 106 91 Sweden
AB: Iron melting temperature at high pressure is of ultimate importance for understanding the geophysics of the Earth's interior. To determine these temperatures, we have undertaken so far the most rigorous approach, namely, we calculated iron melting temperatures applying 2-phase fully ab initio molecular dynamics simulations. Our approach does not use any approximations except those of the density functional theory. We found that the calculated temperatures are higher than those calculated by a similar method which, however, relied on the simplifying approximations. Our data is obtained at the highest currently possible theoretical level and strongly support the "high" melting curve of iron.
DE: 3924 High-pressure behavior
DE: 8124 Earth's interior: composition and state (1212, 7207, 7208, 8105)
SC: Mineral and Rock Physics [MR]
MN: Fall Meeting 2005