Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory

Abstract

Research Article| January 01, 2010 Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory Renata M. Wentzcovitch; Renata M. Wentzcovitch Department of Chemical Engineering and Materials Sciences and Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455, U.S.A., wentzcov@cems.umn.edu Search for other works by this author on: GSW Google Scholar Yonggang G. Yu; Yonggang G. Yu Department of Geosciences Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24060, U.S.A. Search for other works by this author on: GSW Google Scholar Zhongqing Wu Zhongqing Wu Collaboratory for Advanced Computing and Simulations University of South California Los Angeles, California 90007, U.S.A. Search for other works by this author on: GSW Google Scholar Reviews in Mineralogy and Geochemistry (2010) 71 (1): 59–98. https://doi.org/10.2138/rmg.2010.71.4 Article history first online: 09 Mar 2017 Cite View This Citation Add to Citation Manager Share Icon Share MailTo Twitter LinkedIn Tools Icon Tools Get Permissions Search Site Citation Renata M. Wentzcovitch, Yonggang G. Yu, Zhongqing Wu; Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory. Reviews in Mineralogy and Geochemistry 2010;; 71 (1): 59–98. doi: https://doi.org/10.2138/rmg.2010.71.4 Download citation file: Ris (Zotero) Refmanager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentBy SocietyReviews in Mineralogy and Geochemistry Search Advanced Search This research has been motivated by geophysics and materials physics. The objective of this research has been to advance materials theory and computations for high pressure and high temperature applications to the point that it can make a difference in our understanding of the Earth. Understanding of the mineralogy, composition, and thermal structure of the Earth evolves by close interaction of three fields: seismology, geodynamics, and mineral physics. Earth’s structure is imaged by seismology, which obtains body wave velocities and density throughout the Earth’s interior (Fig. 11). Interpretation of this data relies on knowledge of aggregate properties of... You do not have access to this content, please speak to your institutional administrator if you feel you should have access.