高圧力の科学と技術
Online ISSN : 1348-1940
Print ISSN : 0917-639X
ISSN-L : 0917-639X
特集:計算機による高圧物性研究の進展
第一原理計算による地球惑星物理学
土屋 卓久
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ジャーナル フリー

2013 年 23 巻 2 号 p. 103-112

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  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.
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© 2013 日本高圧力学会
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