A New Era of High-Pressure Earth Science Opened by First Principles Computations

• TSUCHIYA Taku

  Geodynamics Research Center, Ehime University

Bibliographic Information

Other Title

• 第一原理計算による超高圧地球科学の新展開
• 受賞記念解説 高圧力学会学会賞 第一原理計算による超高圧地球科学の新展開
• ジュショウ キネン カイセツ コウアツリョク ガッカイ ガッカイショウ ダイイチ ゲンリ ケイサン ニ ヨル チョウコウアツ チキュウ カガク ノ シン テンカイ

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.

Journal

• The Review of High Pressure Science and Technology

  The Review of High Pressure Science and Technology 30 (2), 140-155, 2020

  The Japan Society of High Pressure Science and Technology

Keywords

• <i>ab initio</i> density functional computation method
• high-<i>P</i>,<i>T</i> phase relation
• thermodynamics
• elasticity
• lattice thermal conductivity

Details

• CRID: 1390567901490355456
• NII Article ID: 130007928824
• NII Book ID: AN10452913
• DOI: 10.4131/jshpreview.30.140
• ISSN: 13481940
• ISSN: 0917639X
• NDL BIB ID: 030729142
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I030729142
• Web Site: https://www.jstage.jst.go.jp/article/jshpreview/30/2/30_140/_pdf
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed