Computer simulation study of the dynamic properties of liquid Ni using the embedded-atom model

被引：51

作者：

Alemany, MMG ^{[1
]}

Rey, C ^{[1
]}

Gallego, LJ ^{[1
]}

机构：

[1] Univ Santiago de Compostela, Fac Fis, Dept Fis Mat Condensada, E-15706 Santiago, Spain

来源：

PHYSICAL REVIEW B | 1998年 / 58卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.58.685

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using the Voter and Chen version of the embedded-atom model, we carried out molecular-dynamics simulations to compute both single-particle and collective lime-dependent properties of liquid Ni, and thereby calculated its diffusion constant and shear viscosity, for the latter of which experimental values are available. The calculated values of the dynamic and self-dynamic structure factors are generally in reasonable agreement with the results of inelastic-neutron-scattering experiments. The values calculated for the diffusion constant by several different routes are mutually consistent. The values of the shear viscosity obtained by several different methods are all very similar to available experimental values. [S0163-1829(98)02126-2].

引用

页码：685 / 693

页数：9

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