Structural Studies of Liquid Rubidium at Various Temperatures Using Molecular Dynamics Simulation Technique

被引：0
|
作者：
Baria, J. K. [1 ]
Jivani, A. R. [1 ]
Vyas, P. S. [1 ]
Jani, A. R. [2 ]
机构：
[1] VP & RPTP Sci Coll, Vallabh Vidyanagar 388120, Gujarat, India
[2] Sardar Patel Univ, Dept Phys, Vallabh Vidyanagar 388120, Gujarat, India
来源：
SOLID STATE PHYSICS, PTS 1 AND 2 | 2012年 / 1447卷
关键词：
Molecular dynamics; pair distribution function; structure factor; coordination number; LATTICE MECHANICAL-PROPERTIES; ALKALI-METALS;
D O I：
10.1063/1.4710114
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We have studied the structural properties like pair distribution function g(r), and structure factor S(q) of liquid rubidium at various temperature using molecular dynamics (MD) simulation technique with pseudopotential proposed by us. Good agreement with the experiment is observed for the pair distribution function, structure factor and coordination number. The present investigations are also compared with the results obtained by other theoretical calculations, showing the transferability of the pseudopotential used from solid to liquid environment in the case of rubidium.
引用
收藏
页码：535 / +
页数：2
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