MSA Short Course: Theoretical and Computational Methods in Mineral Physics - Geophysical Applications

University Of Minnesota-Twin Cities, Minneapolis MN

Investigators

Abstract

MSA Short Course: Theoretical and Computational Methods in Mineral Physics: Geophysical Applications Organizers: Renata M. Wentzcovitch (U. of Minnesota), Lars Stixrude (UCL-London) The awaard will help support the 'Short Course' for the Mineralogical Society of America on computational mineral physics. The goal of this course is to review the important techniques used in theoretical and/or computational mineral physics today, along with exemplary applications that have contributed to advance the field of high pressure mineral physics and geophysics. The accompanying book to be published will be a comprehensive overview of the current state of this field. This field has matured and several approaches that have flourished within the last fifteen years are here to stay. This course and book differ from the previous course and published Vol #42, "Molecular Modeling Theory: Applications in the Geosciences" in many ways. The emphasis of that course and issue was on geochemistry and molecules. This one is on geophysics and condensed phases. The methods discussed in that issue are prevalent in the chemistry community. The methods and applications we will present in this issue were developed in the condensed matter and solid state physics community. That course emphasized processes related to minerals surfaces, interfaces, particularly chemical reactions. The outcome of that type of research is of relevance to environmental and atmospheric sciences. The focus will be high pressure, high temperature bulk properties, such as thermoelastic and thermodynamic properties in single and multiphase aggregates. The outcome of these studies is geared towards understanding planetary interiors, interpretation of seismic observations, and providing essential constraints on geodynamic simulations. The computational approaches introduced in this course have contributed to the establishment of a field of research that today rivals experiments: they are predictive. Their applications are increasing at very rapid pace now, and the future of this research field is bright. Experimentalists, seismologists, and geodynamicists should be informed of the methods used and results they can produce. Students should be inspired by the possibilities presented by the selected set of articles. The volume will likely be well received by the materials physics, materials sciences, and simulations communities as well, since mineral physics presents challenges not always faced by these other fields. Mineral physics explores properties of condensed systems in a wider range of pressures and temperatures. The experiences of those active in mineral physics are invaluable and should be communicated to researchers active in related fields.