Approximate expression of Young's equation and molecular dynamics simulation for its applicability

作     者：崔树稳 魏久安 刘伟伟 朱如曾 钱萍 Shu-Wen Cui;Jiu-An Wei;Wei-Wei Liu;Ru-Zeng Zhu;Qian Ping

作者机构：Department of Physics and Information Engineering Cangzhou Normal University State Key Laboratory of Nonlinear Mechanics(LNM)and Key Laboratory of Microgravity Institute of MechanicsChinese Academy of Science Silfex a Division of Lam Research Department of Physics University of Science and Technology Beijing 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2019年第28卷第1期

页      面：527-531页

核心收录：

学科分类：07[理学] 080103[工学-流体力学] 08[工学] 070104[理学-应用数学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0704[理学-天文学] 0701[理学-数学] 0801[工学-力学（可授工学、理学学位）] 

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.11072242) the Key Scientific Studies Program of Hebei Province Higher Education Institute,China(Grant No.ZD2018301) Cangzhou National Science Foundation,China(Grant No.177000001) 

主　　题：molecular dynamics simulation Young’s equation surface tension Zhu–Qian approximate formula of Young’s equation 

摘      要：In 1805, Thomas Young was the first to propose an equation(Young s equation) to predict the value of the equilibrium contact angle of a liquid on a solid. On the basis of our predecessors, we further clarify that the contact angle in Young s equation refers to the super-nano contact angle. Whether the equation is applicable to nanoscale systems remains an open question. Zhu et al. [College Phys. 4 7(1985)] obtained the most simple and convenient approximate formula, known as the Zhu–Qian approximate formula of Young s equation. Here, using molecular dynamics simulation, we test its applicability for nanodrops. Molecular dynamics simulations are performed on argon liquid cylinders placed on a solid surface under a temperature of 90 K, using Lennard–Jones potentials for the interaction between liquid molecules and between a liquid molecule and a solid molecule with the variable coefficient of strength a. Eight values of a between 0.650 and 0.825 are used. By comparison of the super-nano contact angles obtained from molecular dynamics simulation and the Zhu–Qian approximate formula of Young s equation, we find that it is qualitatively applicable for nanoscale systems.