Systematic prediction of high-pressure melting curves of transition metals

被引:32
|
作者
Ho Khac Hieu [1 ]
机构
[1] Duy Tan Univ, Inst Res & Dev, Danang, Vietnam
关键词
EQUATION-OF-STATE; THERMODYNAMIC PROPERTIES; ANHARMONIC CRYSTALS; ULTRAHIGH PRESSURE; MOLECULAR-DYNAMICS; MOMENTUM METHOD; EARTHS CORE; COPPER; CU; MANGANESE;
D O I
10.1063/1.4899511
中图分类号
O59 [应用物理学];
学科分类号
摘要
The pressure effects on melting temperatures of transition metals have been studied based on the combination of the modified Lindemann criterion with statistical moment method in quantum statistical mechanics. Numerical calculations have been performed for five transition metals including Cu, Pd, Pt, Ni, and Mn up to pressure 100 GPa. Our results are in good and reasonable agreements with available experimental data. This approach gives us a relatively simple method for qualitatively calculating high-pressure melting temperature. Moreover, it can be used to verify future experimental and theoretical works. This research proposes the potential of the combination of statistical moment method and the modified Lindemann criterion on predicting high-pressure melting of materials. (C) 2014 AIP Publishing LLC.
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收藏
页数:6
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