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Simulation of structural transformation in aragonite CaCO3

  • University of Nebraska-Lincoln
  • University of Nebraska Omaha

科研成果: 书/报告/会议事项章节会议稿件同行评审

摘要

The structural transformation in aragonite CaCO3a is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon-Kirn modified electron gas formalism. We found two phase transitions in aragonite at high temperature.

源语言英语
主期刊名Fundamental Physics of Ferroelectrics 2000
主期刊副标题Aspen Center for Physics Winter Workshop
编辑Ronald E. Cohen, Richard A. Mewaldt
出版商American Institute of Physics Inc.
338-343
页数6
ISBN(电子版)1563969599
DOI
出版状态已出版 - 12 9月 2000
已对外发布
活动Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 - Aspen, 美国
期限: 13 2月 200020 2月 2000

出版系列

姓名AIP Conference Proceedings
535
ISSN(印刷版)0094-243X
ISSN(电子版)1551-7616

会议

会议Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000
国家/地区美国
Aspen
时期13/02/0020/02/00

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