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Simulation of structural transformation in aragoniteCaCo3

 

作者: Jianjun Liu,   M. M. Ossowski,   J. R. Hardy,   Chun-gang Duan,   W. N. Mei,  

 

期刊: AIP Conference Proceedings  （AIP Available online 1900）
卷期: Volume 535, issue 1  

页码: 338-343

 

ISSN:0094-243X

 

年代: 1900

 

DOI:10.1063/1.1324472

 

出版商: AIP

 

数据来源: AIP

 

摘要:

The structural transformation in aragoniteCaCO3is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon-Kim modified electron gas formalism. We found two phase transitions in aragonite at high temperature. ©2000 American Institute of Physics.

 

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