Papers

Feb, 2000

Molecular dynamics study of pressure-induced transformation of quartz-type GeO2

PHYSICS AND CHEMISTRY OF MINERALS
  • T Tsuchiya
  • ,
  • T Yamanaka
  • ,
  • M Matsui

Volume
27
Number
3
First page
149
Last page
155
Language
English
Publishing type
Research paper (scientific journal)
DOI
10.1007/s002690050002
Publisher
SPRINGER VERLAG

We simulated quartz-type GeO2 and investigated its high-pressure transformation using the molecular dynamics (MD) simulation method with a model potential, The calculated results under hydrostatic compression indicated that a pi pressure-induced amorphization of quartz-type GeO2 originated from the mechanical instability of the quartz lattice as, in previous theoretical studies of SiO2. Furthermore, quartz-type GeO2 directly transformed to a rutile-like structure with only subtle displacements of ions under sigma(xy) imposed shear stressed decompression. This is the first reproduction of the quartz-to-rutile transformation. A possible pathway of this transition is proposed in this study.

Link information
DOI
https://doi.org/10.1007/s002690050002
CiNii Articles
http://ci.nii.ac.jp/naid/80011542299
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000086332900002&DestApp=WOS_CPL
ID information
  • DOI : 10.1007/s002690050002
  • ISSN : 0342-1791
  • CiNii Articles ID : 80011542299
  • Web of Science ID : WOS:000086332900002

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