Investigation of dynamical properties of liquid alkali metals

被引:5
|
作者
Malan, Rajesh C. [1 ]
Vora, Aditya M. [2 ]
机构
[1] Govt Engn Coll GTU, Appl Sci & Humanities Dept, Valsad, India
[2] Gujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad, Gujarat, India
关键词
Velocity autocorrelation function (VACF); liquid alkali metals; dynamical properties; DIELECTRIC SCREENING FUNCTION; MICROSCOPIC DYNAMICS; MOLECULAR-DYNAMICS; TEMPERATURE-DEPENDENCE; ATOMIC DYNAMICS; DIFFUSION; COEFFICIENT; POINT;
D O I
10.1080/00319104.2018.1564304
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
The present article deals with the study of the dynamical behaviour of the heavily dense liquid alkali metals using velocity autocorrelation function (VACF) and power spectrum . The extended Brownian motion equation is used to generate VACF for liquid metals in the present work. The presently obtained results are compared with those generated by the molecular dynamical study (MD) as well as other theoretical models. The model potential given by Fiolhais et al. is used for the calculation of the VACF. The screening effect over the bare ion potential results is estimated with the help of Hartree (H) dielectric function. The exchange and correlation effects are calculated with the functions given by Sarkar et al. (S) and Ichimaru-Utsumi (IU).
引用
收藏
页码:222 / 229
页数:8
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