Creation of the ab initio theoretical high-pressure mineral physics

• TSUCHIYA Taku

  Geodynamics Research Center, Ehime University

Bibliographic Information

Other Title

• 第一原理計算による理論高圧鉱物物性学の開拓
• 日本鉱物科学会賞第12回受賞者 受賞記念研究紹介 第一原理計算による理論高圧鉱物物性学の開拓
• ニホン コウブツ カガクカイショウ ダイ12カイ ジュショウシャ ジュショウ キネン ケンキュウ ショウカイ ダイイチ ゲンリ ケイサン ニ ヨル リロン コウアツ コウブツ ブッセイガク ノ カイタク

Abstract

  Recent progress in theoretical mineral physics based on the ab initio quantum mechanical computation method has been dramatic in conjunction with the advancement of computer technologies. It is now possible to predict stability and several physical properties of complex minerals quantitatively not only at high pressures but also at high temperatures with uncertainties that are comparable to or even smaller than those attached in experimental data. Our present challenges include calculations of high-P,T elasticity to constrain the lower mantle mineralogy, transport properties such as lattice thermal conductivity, and further extensions to terapascal phase equilibria of Earth materials for studying planetary interiors.<br>

Journal

• Japanese Magazine of Mineralogical and Petrological Sciences

  Japanese Magazine of Mineralogical and Petrological Sciences 44 (1), 10-24, 2015

  Japan Association of Mineralogical Sciences

Keywords

• Ab initio density functional computation method
• High-<i>P</i>,<i>T</i> phase diagram
• Elasticity
• Lattice thermal conductivity
• Earth's lower mantle
• Outer core

Details

• CRID: 1390001206526075008
• NII Article ID: 130004793362
• NII Book ID: AA1146088X
• DOI: 10.2465/gkk.150104
• ISSN: 13497979
• ISSN: 1345630X
• NDL BIB ID: 026219351
• Web Site: http://id.ndl.go.jp/bib/026219351
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I026219351
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed