Elastic anomalies of anorthite: Molecular dynamics simulations

被引：4

作者：

Noritake, Fumiya ^{[1
]}

Kawamura, Katsuyuki ^{[1
]}

Matsukage, Kyoko N. ^{[2
]}

机构：

[1] Okayama Univ, Grad Sch Environm & Life Sci, Kita Ku, Okayama 7008530, Japan

[2] Kyoto Univ, Grad Sch Human & Environm Studies, Sakyo Ku, Kyoto 6068501, Japan

来源：

PHYSICS OF THE EARTH AND PLANETARY INTERIORS | 2015年 / 244卷

关键词：

Anorthite; High-pressure; High-temperature; Molecular dynamics; HIGH-PRESSURE; CRYSTAL-STRUCTURE; SPONTANEOUS STRAIN; THERMAL-EXPANSION; SILICATE-GLASSES; PHASE-TRANSITION; HIGH-TEMPERATURE; SIO2; GLASS; CHEMISTRY; PLAGIOCLASE;

D O I：

10.1016/j.pepi.2015.05.002

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 ; 070902 ;

摘要：

We investigated the elastic anomalies of anorthite using molecular dynamics simulations in which the temperature and pressure induced P (1) over bar /I (1) over bar phase transitions were reproduced. The resulting changes in structure were investigated as functions of pressure and temperature. It was found that the temperature-induced elastic anomaly is caused by two different thermal expansion behaviors of atomic motion, that is, increased distance between nearest neighbor atoms and increased Si-O-Al angle. Furthermore, the pressure-induced elastic anomaly was found to be caused by a decrease in the Si-O-Al angle in six-membered rings, which is similar to the cases of vitreous silica or acidic silicate liquids. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：32 / 41

页数：10

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