Elastic tensor of the forsterite (Mg2SiO4) under pressure

被引：33

作者：

Jochym, PT

Parlinski, K

Krzywiec, P

机构：

[1] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland

[2] Polish Geol Inst, PL-00975 Warsaw, Poland

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2004年 / 29卷 / 04期

关键词：

minerals; elastic properties; DFT calculations;

D O I：

10.1016/j.commatsci.2003.11.004

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A complete elastic tensor of the low-pressure structure of the magnesium orthosilicate (Mg2SiO4, forsterite) is determined by an ab initio technique for the pressure range P = 0-240 kB. The geologically important quantities: density, sound velocity, Young's modulus, Poisson's ratio, crystal anisotropy, are derived from the calculated data. A systematic increase of crystal's anisotropy with pressure has been noticed. The results agree well with the available experimental data. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：414 / 418

页数：5

共 23 条

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[2]

Anderson D.L., 1998, THEORY EARTH, P366

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