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

被引：12

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.

引用

页数：5

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