The mechanism of hcp-bcc phase transformation in Mg single crystal under high pressure

被引：5
|
作者：
Zhou, Jia-Ning [1 ]
Guo, Ya-Fang [1 ]
Ren, Jing-Yuan [1 ]
Tang, Xiao-Zhi [1 ]
机构：
[1] Beijing Jiaotong Univ, Sch Phys Sci & Engn, Dept Mech, Beijing 100044, Peoples R China
来源：
SCRIPTA MATERIALIA | 2023年 / 236卷
基金：
中国国家自然科学基金;
关键词：
Phase transformation; Bcc; Hcp; Mg; Molecular dynamics simulations; TRANSITION; TEMPERATURE; LATTICE; IRON;
D O I：
10.1016/j.scriptamat.2023.115670
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The mechanism of phase transformation from hexagonal close-packed (hcp) to body-centered-cubic (bcc) structure in Mg single crystal under high pressure is studied by molecular dynamics (MD) simulations. The hcpbcc phase transformation is achieved by a shear-shuffle mechanism, through the formation of bcc nanotwinned structure and the subsequent detwinning. The nanotwinned structure can effectively accommodate the shear caused by the hcp-bcc phase transformation, which facilities the growth of bcc phase under hydrostatic pressure. The detwinning turns the bcc nanotwinned structure into bcc nano-polycrystalline. Two twinning modes with the opposite twinning shear occur during the detwinning, which can accommodate the shear in different directions. The mechanism of hcp-bcc phase transformation revealed in this work brings out a comprehensive understanding of the plastic mechanism under high pressure, which is helpful for the further materials design under high pressure.
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页数：5
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