Molecular Dynamics Simulations of the Orientation Effect on the Initial Plastic Deformation of Magnesium Single Crystals

作     者：Qun Zu Ya-Fang Guo Shuang Xu Xiao-Zhi Tang Yue-Sheng Wang 

作者机构：Institute of Engineering MechanicsBeijing Jiaotong University School of ScienceWuhan University of Technology 

出 版 物：《Acta Metallurgica Sinica(English Letters)》 (金属学报（英文版）)

年 卷 期：2016年第29卷第3期

页      面：301-312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：supported by the National Natural Science Foundation of China(No.11372032) The Open Project of Key Laboratory of Computational Physics in China 

主　　题：Molecular dynamics simulations Magnesium Plastic deformation Orientation 

摘      要：Molecular dynamics simulation is employed to study the tension and compression deformation behaviors of magnesium single crystals with different *** angle between the loading axis and the basal direction ranges from 0° to 90°.The simulation results show that the initial defects usually nucleate at free surfaces,but the initial plastic deformation and the subsequent microstructural evolutions are various due to different loading *** tension simulations exhibit the deformation mechanisms of twinning,slip,crystallographic reorientation and basal/prismatic *** twinning,crystallographic reorientation and basal/prismatic transformation can only appear in the crystal model loaded along or near the a-axis or *** the compression simulations,the basal,prismatic and pyramidal slips are responsible for the initial plasticity,and no twinning is ***,the plastic deformation models affect the yield strengths for the samples with different *** maximum yield stresses for the samples loaded along the c-axis or a-axis are much higher than those loaded in other directions.