Estimation of the solid-liquid interface energy for metal elements

被引：14

作者：

Jiang, Xiaobao ^{[1
]}

Xiao, Beibei ^{[2
]}

Lan, Rui ^{[1
]}

Gu, Xiaoyan ^{[1
]}

Zhang, Xinghua ^{[1
]}

Sheng, Hongchao ^{[1
]}

机构：

[1] Jiangsu Univ Sci & Technol, Dept Mat Sci & Engn, Zhenjiang 212003, Jiangsu, Peoples R China

[2] Jiangsu Univ Sci & Technol, Sch Energy & Power Engn, Zhenjiang 212003, Jiangsu, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2019年 / 170卷

关键词：

Interface energy; Simulation and modelling; Evaporation entropy; Metals; Vibration entropy; PHASE; SIZE;

D O I：

10.1016/j.commatsci.2019.109174

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Solid-liquid interface energy gamma(sl) is an important physical quantity which describes the surface properties of solid-liquid system. Estimating the gamma(sl) value is significant for understanding surface and interface phenomenon. We proposed an analytical model to determine gamma(sl) by introducing bulk evaporation entropy S-b which is a measurable quantity. The effect of temperature on gamma(sl) has also been considered. The calculations agree well with available experimental and theoretical results. Furthermore, a linear relationship between the bulk vibrational entropy S-vib and S-b is found, which provides a method to estimate the value of S-vib.

引用

页数：3

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