日本結晶学会誌
Online ISSN : 1884-5576
Print ISSN : 0369-4585
ISSN-L : 0369-4585
地球深部物質の結晶構造と物性のシミュレーション
松井 正典
著者情報
ジャーナル フリー

1993 年 35 巻 3 号 p. 190-197

詳細
抄録

We describe the application of the molecular dynamics (MD) method to simulate structures and physical properies, including volume compressibilities, volume thermal expansivities, enthalpies, and atomic thermal vibrations, for the MgSiO3 polymorphs and iron. The MD simulation is shown to be very useful and powerful for predecting properties especially under conditions unavailable in the laboratory, such as extremes of temperatures and pressures prevailing in the Earth's deep-interior. We use the MD technique to investigate the possibility of high-pressure or high-temperature phase transitions in MgSiO3 and Fe, which might occur in the deep Earth.

著者関連情報
© 日本結晶学会
前の記事 次の記事
feedback
Top