A comparative study on surface tension, diffusion coefficient and shear viscosity coefficient of liquid transition metals

被引：2
|
作者：
Gosh, R. C. [1 ]
Pandit, A. [1 ]
Sarkar, Shujal [1 ]
机构：
[1] Univ Dhaka, Dept Phys, Dhaka 1000, Bangladesh
来源：
JOURNAL OF NON-CRYSTALLINE SOLIDS | 2023年 / 606卷
关键词：
Surface tension; Diffusion coefficients; Shear viscosity coefficient; Pair correlation function; Liquid transition metals; UNIVERSAL SCALING LAW; EMBEDDED-ATOM-METHOD; TRANSPORT-PROPERTIES; EXCESS ENTROPY; THERMODYNAMIC PROPERTIES; MOLECULAR-DYNAMICS; EARTH-METALS; NOBLE; EQUATION; POTENTIALS;
D O I：
10.1016/j.jnoncrysol.2023.122176
中图分类号：
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
Surface tensions of liquid transition metals of the 3d, 4d and 5d series have been calculated using modified Mayer's formula involving hard sphere (HS) interaction of liquids derived from first and second order approximations of Percus-Yevick (PY) solutions of isothermal compressibility. Effective HS diameter and packing fraction are key ingredients of this study. To determine them, we have used effective pair potential derived from both Bretonnet-Silbert (BS) pseudopotential model and many body potential obtained from embedded atom method (EAM) in conjunction with variational modified hypernetted chain (VMHNC) integral equation theory of liquid structure. Calculated values of surface tension are used to evaluate transport coefficients such as diffusion and shear viscosity coefficients. Comparing with experimental and simulated data, calculated results suggest that expression derived from second order approximation of PY solution with the combination of EAM potential and VMHNC theory works better than any other combinations for the concerned systems.
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页数：10
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