2006年7月
Molecular dynamics study of CaSiO3-MgSiO3 glasses under high pressure
JOURNAL OF PHYSICS-CONDENSED MATTER
- ,
- 巻
- 18
- 号
- 28
- 開始ページ
- 6531
- 終了ページ
- 6544
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1088/0953-8984/18/28/008
- 出版者・発行元
- IOP PUBLISHING LTD
The pressure-induced structural evolutions of CaSiO3-MgSiO3 glasses have been examined by means of molecular dynamics simulation. Our calculations revealed that Si coordination remained unchanged up to 15 GPa, while modifier cations caused significant changes in the short-range order structure. In the present study, we conclude that the main compression mechanisms for CaSiO3 MgSiO3 glasses are: ( 1) the Si-O-Si angle reduction, ( 2) the coordination increase of Ca and Mg cations, and ( 3) the compaction in the medium-range scale. Furthermore, small changes in the Q(n) distribution suggest pressure-induced disproportionation reactions. Similar pressure responses between CaSiO3-MgSiO3 glasses may imply that the structural changes of SiO4 framework units are more significant than those of interstitial cations, Ca and Mg.
- リンク情報
-
- DOI
- https://doi.org/10.1088/0953-8984/18/28/008
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000238613000013&DestApp=WOS_CPL
- URL
- http://www.scopus.com/inward/record.url?eid=2-s2.0-33745613026&partnerID=MN8TOARS
- URL
- http://orcid.org/0000-0003-4600-3437
- ID情報
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- DOI : 10.1088/0953-8984/18/28/008
- ISSN : 0953-8984
- eISSN : 1361-648X
- ORCIDのPut Code : 30160806
- SCOPUS ID : 33745613026
- Web of Science ID : WOS:000238613000013