Molecular dynamics study on the effect of temperature on HCP→FCC phase transition of magnesium alloy

作     者：Chun Xue Shuai Li Zhibing Chu Qianhua Yang Yugui Li Lifeng Ma Leifeng Tuo 

作者机构：College of Materials Science and EngineeringTaiyuan University of Science and TechnologyTaiyuan 030024China College of Mechanical EngineeringTaiyuan University of Science and TechnologyTaiyuan030024China 

出 版 物：《Journal of Magnesium and Alloys》 (镁合金学报（英文）)

年 卷 期：2023年第11卷第10期

页      面：3749-3764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 Key Research and Development Project (2018YFB1307902) Shanxi Province Joint Student Training Base Talent Training Project(No.2018JD33) Shanxi young top talent project Shanxi Province Science Foundation for Youths (201901D211312) Excellent young academic leaders in Shanxi colleges and universities(No.2019045) Excellent Achievements Cultivation Project of Shanxi Higher Education Institutions(No.2019KJ028) Shanxi Province emerging industry leader talent project Shanxi Graduate Education Innovation Project(No.2019SY482) 

主　　题：Temperature AZ31 magnesium alloy FCC stacking fault Shockley partial dislocation Phase transformation 

摘      要：To explore the effect of temperature on the phase transformation of HCP→FCC during compression, the uniaxial compression process of AZ31 magnesium alloy was simulated by the molecular dynamics method, and the changes of crystal structure and dislocation evolution were observed. The effects of temperature on mechanical properties, crystal structure, and dislocation evolution of magnesium alloy during compression were analyzed. It is concluded that some of the Shockley partial dislocation is related to FCC stacking faults. With the help of TEM characterization, the correctness of the correlation between some of the dislocations and FCC stacking faults is verified. Through the combination of simulation and experiment, this paper provides an idea for the in-depth study of the solid-phase transformation of magnesium alloys and provides reference and guidance for the design of magnesium alloys with good plasticity and formability at room temperature.