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

作者：Qi Honggang; Guo Yafang^*; Tang Xiaozhi; Xu Shuang

来源：Acta Metallurgica Sinica (English Letters), 2011, 24(6): 487-494.

• Magnesium single crystal
• Twinning
• Molecular dynamics simulation
• c-axis tension

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 {10 (1) over bar2} and {10 (1) over bar1} twins are observed. At elevated temperatures, {10 (1) over bar1} twining decreases quickly with increasing temperature, while the amount of {10 (1) over bar2} twins increases. The {10 (1) over bar2} 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.

• 出版日期2011-12
• 单位北京交通大学; 中国地震局工程力学研究所