MR003:
Computational Advances and Applications in Mineral Physics


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Session ID#: 24197

Session Description:
Knowledge of physical and chemical properties of component materials over wide pressure-temperature (P-T) conditions relevant to the Earth and planetary interiors is crucial to advance our understanding of their structural and dynamical state. Over more than a decade now, computational techniques have been proven to be very reliable in unraveling the materials properties at those conditions, even in the experimentally inaccessible P-T regions (complementing experiments). The aim of this session is to bring together the most recent computational advances (first principles to multi-scale modeling, data visualization/analysis) covering elasticity, defects, diffusion and deformation, silicate glasses and melts, multicomponent materials, etc. We also welcome abstracts from relevant experimental studies.
Primary Convener:  Dipta B Ghosh, Louisiana State University, Baton Rouge, LA, United States
Conveners:  Bijaya B Karki, Louisiana State University, Baton Rouge, LA, United States and Taku Tsuchiya, Ehime University, Geodynamics Research Center, Ehime, Japan

Cross-Listed:
  • DI - Study of the Earth's Deep Interior
  • P - Planetary Sciences
  • S - Seismology
Index Terms:

3904 Defects [MINERAL PHYSICS]
3909 Elasticity and anelasticity [MINERAL PHYSICS]
3914 Electrical properties [MINERAL PHYSICS]
3924 High-pressure behavior [MINERAL PHYSICS]

Abstracts Submitted to this Session:

Mainak Mookherjee1, Andreas Hermann2, Suraj Bajgain1 and Gaurav Shukla1, (1)Florida State University, Earth, Ocean and Atmospheric Sciences, Tallahassee, FL, United States, (2)University of Edinburgh, School of Physics and Astronomy, Edinburgh, United Kingdom
Sebastian Ritterbex and Taku Tsuchiya, Ehime University, Matsuyama, Japan
Philippe Carrez1, Alexandra Goryaeva1 and Patrick Cordier2, (1)University of Lille 1, Villeneuve d'Ascq, France, (2)Univ Lille I, Villeneuve D Ascq, France
Pierre Hirel1, Gabriel Franck Bouobda Moladje2, Philippe Carrez1 and Patrick Cordier3, (1)University of Lille 1, Villeneuve d'Ascq, France, (2)Université de Lille, Villeneuve d'Ascq, France, (3)Univ Lille I, Villeneuve D Ascq, France
Jun Tsuchiya, Ehime University, Geodynamics Research Center, Ehime, Japan, Elizabeth Colette Thompson, University of Chicago, Chicago, IL, United States, Taku Tsuchiya, Ehime University, Matsuyama, Japan, Masayuki Nishi, Earth and life science, Ookayama, Japan and Yasuhiro Kuwayama, Ehime University, Ehime, Japan
Wenzhong Wang and Zhongqing Wu, USTC University of Science and Technology of China, School of Earth and Space Sciences, Hefei, China
Taku Tsuchiya, Ehime University, Matsuyama, Japan, Yasuhiro Kuwayama, Ehime University, Ehime, Japan, Miaki Ishii, Harvard University, Cambridge, MA, United States and Kenji Kawai, Tokyo Institute of Technology, Tokyo, Japan
Bijaya B Karki and Dipta B Ghosh, Louisiana State University, Baton Rouge, LA, United States
Dong-Bo Zhang Sr, University of Minnesota Twin Cities, Minneapolis, MN, United States
Simron Thapa and Bijaya B Karki, Louisiana State University, Baton Rouge, LA, United States
Han Hsu, National Central University, Taoyuan City, Taiwan
Dipta B Ghosh and Bijaya B Karki, Louisiana State University, Baton Rouge, LA, United States
Kanchan Sarkar, University of Minnesota Twin Cities, Chemical Engineering and Material Sciences, Minneapolis, MN, United States and Renata Wentzcovitch, Columbia University of New York, Palisades, NY, United States