HR: 17:15h
AN: MR14A-06    [Abstracts]
TI: Seismic Signature of the High-Spin to Low-Spin Transition in Magnesiowustite
AU: de Gironcoli, S
EM: degironc@sissa.it
AF: Scuola Internazionale Superiore di Studi Avanzati and DEMOCRITOS National Simulation Center, via Beirut 4, Trieste, 34014 Italy
AU: Da Silva, C
EM: cesards[msi.umn.edu
AF: Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute for Digital Technology and Advanced Computations, University of Minnesota, 421 Washington Av SE, Minneapolis, MN 55455 United States
AU: Tsuchiya, T
EM: takut@sci.ehime-u.ac.jp
AF: Geodynamics Research Center, Ehime University, 2-5 Bunkyo-cho, Matsuyama, 790-8577 Japan
AU: * Wentzcovitch, R M
EM: wentzcov[cems.umn.edu
AF: Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute for Digital Technology and Advanced Computations, University of Minnesota, 421 Washington Av SE, Minneapolis, MN 55455 United States
AB: It has been reported that the high to low-spin spin transition in iron in magnesiowustite (Mw) is accompanied by considerable volume reduction. This changes considerably the elastic properties of Mw across this transition as well. Using a newly developed LDA+U method with consistently calculated Hubbard U, we investigate the elastic signature of this transition. We find large and temperature sensitive contrast in elasticity across this transition. Research supported by NSF/ITR 0428774, VLab, Ehime Univ Project Fund
DE: 3620 Mineral and crystal chemistry (1042)
DE: 3900 MINERAL PHYSICS
DE: 3909 Elasticity and anelasticity
DE: 3919 Equations of state
DE: 3924 High-pressure behavior
SC: Mineral and Rock Physics [MR]
MN: Fall Meeting 2005