CROSSOVER FROM HYDRODYNAMIC TO ATOMIC DIFFUSION IN LIQUID SELENIUM - A MOLECULAR-DYNAMICS STUDY

被引：18

作者：

ALMARZA, NG ^{[1
]}

ENCISO, E ^{[1
]}

BERMEJO, FJ ^{[1
]}

机构：

[1] CSIC,INST ESTRUCT MAT,E-28006 MADRID,SPAIN

来源：

EUROPHYSICS LETTERS | 1992年 / 17卷 / 07期

关键词：

MOLECULAR LIQUIDS; TIME-DEPENDENT PROPERTIES;

D O I：

10.1209/0295-5075/17/7/004

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A molecular-dynamics (MD) study on a model of liquid selenium is presented. The model assumes the existence of linear chains with the required structural and force constant data obtained from experimental data, lattice dynamics and first-principles calculations. The computed properties show an excellent agreement with reported structure factor and density-of-states data. The analysis of the incoherent scattering function evidences the presence of strong, space-dependent effects which are a marked signature of the crossover between hydrodynamic (centre of mass) and atomic diffusion.

引用

页码：595 / 600

页数：6

共 22 条

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Allen M.P., 1987, COMPUTER SIMULATION

[2]

ALMARZA NG, 1991, THESIS U COMPLUTENSE

[3]

AXMANN A, 1970, DISCUSS FARADAY SOC, V50, P74

[4] INELASTIC NEUTRON-SCATTERING IN SETE GLASSES [J].