Molecular Dynamics Simulation of Dealloyed Layer-induced Tensile Stress in Cu_3Au

作     者：Qikai L, Yue Zhang, Mark Hoffman, Wuyang Chu 1)Materials Science and Engineering School. University of Science and Technology Beijing. Beijing 100083, China 2)School of Materials Science & Engineering, University of New South Wales, Sydney 2052, Austral 

作者机构：Materials Science and Engineering School University of Science and Technology Beijing Beijing 100083 China School of Materials Science and Engineering University of New South Wales Sydney NSW 2052 Australia 

出 版 物：《Journal of University of Science and Technology Beijing》 (北京科技大学学报（英文版）)

年 卷 期：2001年第8卷第4期

页      面：295-298页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：This work was financially supported by the NNSF(No.59872004) the Special Funds for the Major State Basic Research Projects(No 

主　　题：dealloyed layer-induced stress molecular dynamics simulation Cu3Au 

摘      要：During stress corrosion cracking of Cu3Au alloy, there is a dealloyed layer on its surface because of preferential dissolution of Cu, and there is a linear distribution of Cu vacancy concentration in the dealloyed layer. Molecular dynamics simulation has been done on the three-dimensional crystal (about 148 000 atoms) by employing the embedded-atom method (EAM) potential. Simulation shows that Cu3Au crystal in which there is a dealloyed layer on one surface and one end is fixed will be deflected after relaxing for a long time because of a tensile stress generated at or near the dealloyed layer interface. The deflection and then the tensile stress increase with increasing the depth of dealloyed layer and the vacancy concentration in the dealloyed layer.