中國有色金屬學(xué)報(英文版)
Transactions of Nonferrous Metals Society of China
| Vol. 32 No. 3 March 2022 |
（1. College of Materials Science and Engineering, Hunan University, Changsha 410082, China;
2. College of Physics and Microelectronics, Hunan University, Changsha 410082, China;
3. College of Electronics and Communication Engineering, Changsha University, Changsha 410003, China;
4.School of Science, Chang’an University, Xi’an 710064, China;
5.Institute of Smart Biomedical Materials, School of Materials Science and Engineering, Zhejiang Sci-Tech University, Hangzhou 310018, China）
Abstract:The influence of trace Y on the microstructure evolution and mechanical properties of Mg100-xYx (x=0.25, 0.75, 1.5, 3, 4, 5, at.%) alloys during solidification process was investigated via molecular dynamics (MD) simulations. The results show that the Mg100-xYx alloys are mainly characterized by a face-centered cubic (FCC) crystal structure; this is different from pure metal Mg, which exhibits a hexagonal close packed (HCP) structure at room temperature. Among these alloys, Mg99.25Y0.75 has a larger proportion of FCC cluster structures, with the highest fraction reaching 56.65%. As the content of the Y increases up to 5 at.% (Mg95Y5 alloy), the amount of amorphous structures increases. The mechanical properties of the Mg100-xYx alloys are closely related to their microstructures. The Mg99.25Y0.75 and Mg97Y3 alloys exhibit the highest yield strengths of 1.86 and 1.90 GPa, respectively. The deformation mechanism of the Mg-Y alloys is described at the atomic level, and it is found that a difference in the FCC proportion caused by different Y contents leads to distinct deformation mechanisms.
Key words: Mg-Y alloy;molecular dynamics; microstructure evolution;mechanical properties;deformation mechanism
