作者: S. M. Foiles,
期刊: AIP Conference Proceedings (AIP Available online 1904) 卷期: Volume 706, issue 1
页码: 57-60
ISSN:0094-243X
年代: 1904
DOI:10.1063/1.1780183
出版商: AIP
数据来源: AIP
摘要:
The dynamic compression of molten metals including Sn is of current interest. In particular, experiments on the compression of molten Sn by Davis and Hayes will be described at this conference. Supporting calculations of the equation of state and structure of molten Sn as a function of temperature and pressure are in progress. The calculations presented are ab initio molecular dynamics simulations based on electronic density functional theory within the local density approximation. The equation of state and liquid structure factors for zero pressure are compared with existing experimental results. The good agreement in this case provides validation of the calculations. © 2004 American Institute of Physics
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