Three-dimensional molecular dynamics simulation of hydrogen-enhanced dislocation emission and crack propagation

作     者：LI Zhongji, CHU Wuyang, LI Jinxu, GAO Kewei and QIAO Lijie(Department of Materials Physics, University of Science and Technology Beijing, Beijing 100083, China) 

出 版 物：《Progress in Natural Science:Materials International》 (自然科学进展·国际材料(英文))

年 卷 期：2002年第9期

页      面：79-82页

学科分类：08[工学] 080102[工学-固体力学] 0801[工学-力学（可授工学、理学学位）] 

基　　金：Supported by the Major State Basic Research Development Program of China (G19990650) the National Natural Science Foundation of China (Grant Nos. 50071010, 50171012) 

主　　题：molecular dynamics simulation hydrogen dislocation emission crack propagation nickel. 

摘      要：A three-dimensional molecular dynamics simulation using the embedded atom method (EAM) potentials shows that for both pure Ni and Ni+ H, dislocations are firstly emitted during loading and the crack propagates after enough dislocations are emitted. In the case of hydrogen embrittlement, local plastic deformation is a precondition for crack propagation. For the crack along the (111) slip plane, one atom fraction in percent of hydrogen can decrease the critical stress intensity for dislocation emission KIe from 0. 42 to 0. 36 MPam1/2, and that for crack propagation KIp from 0. 80 to 0:76 MPam1/2. Therefore, hydrogen enhances dislocation emission and crack propagation.