A molecular dynamics study of the transport coefficients of liquid transition and noble metals using effective pair potentials obtained from the embedded atom model

被引:13
|
作者
Alemany, MMG [1 ]
Gallego, LJ
González, LE
González, DJ
机构
[1] Univ Santiago de Compostela, Fac Fis, Dept Fis Mat Condensada, E-15706 Santiago, Spain
[2] Univ Valladolid, Fac Ciencias, Dept Fis Teor, E-47011 Valladolid, Spain
来源
JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 22期
关键词
D O I
10.1063/1.1322626
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Effective pair potential based on the embedded atom model (EAM) to compute the diffusion coefficients and shear viscosities of liquid Ni, Pd, Pt, Cu, Ag, and Au were described. These quantities were taken as representatives of single-particle and collective dynamical properties. It was found that pair potentials constructed on the basis of the VC EAM, were capable of describing other single-particle and collective dynamical properties of liquid transition and noble metals.
引用
收藏
页码:10410 / 10411
页数:2
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