Atomistic simulation of the structural evolution in magnesium single crystal under c-axis tension

QI Hong-Gang; GUO Ya-Fang; TANG Xiao-Zhi; XU Shuang

doi:10.11890/1006-7191-116-487

Acta Metallurgica Sinica (English Letters) >

2011 , Vol. 24 >Issue 6: 487 - 494

DOI: https://doi.org/10.11890/1006-7191-116-487

Atomistic simulation of the structural evolution in magnesium single crystal under c-axis tension

QI Hong-Gang ,
GUO Ya-Fang ,
TANG Xiao-Zhi ,
XU Shuang

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Institute of Engineering Mechanics,Beijing Jiaotong University, Beijing 100044, China

Received date: 2011-04-19

Revised date: 2011-07-22

Online published: 2011-12-22

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Abstract

Molecular dynamics simulation is applied to investigate the microstructure evolution of magnesium single crystals under c-axis extension at different temperatures. At low temperatures, both {1012}and {1011} twins are observed. At elevated temperatures, {1011} twining decreases quickly with increasing temperature, while the amount of {1012} twins increases. The {1012} twin is found to be the main deformation mechanism under the c-axis tension in the magnesium single crystal. Meanwhile, shear bands are also observed during deformation. When the temperature is beyond 500 K, the non-basal plane slip due to the thermal activation is found. The stress-strain curves related with deformation behavior at atomistic scale are presented.

Key words： Magnesium single crystal; Twinning; Molecular dynamics simulation; c-axis tension

Cite this article

QI Hong-Gang , GUO Ya-Fang , TANG Xiao-Zhi , XU Shuang . Atomistic simulation of the structural evolution in magnesium single crystal under c-axis tension[J]. Acta Metallurgica Sinica (English Letters), 2011 , 24(6) : 487 -494 . DOI: 10.11890/1006-7191-116-487

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