Molecular Dynamics Study on Uniaxial Compression Transformation of Magnesium Alloy
QH Yang and C Xue and ZB Chu and YG Li and LF Ma, NANO, 16, 2150118 (2021).
The uniaxial compression deformation of AZ31 magnesium alloy was simulated by molecular dynamics method, the changes of mechanical properties and microstructure were analyzed, the phase transformation mechanism of magnesium alloy under uniaxial compression was revealed, and the effects of temperature and strain rate on the phase transformation of magnesium alloy were discussed at the nanoscale. As a new method of calculating materials, molecular dynamics simulation can effectively reproduce the mechanical behavior of materials at the atomic level. In this paper, through the construction of the AZ31 magnesium alloy model, the uniaxial compression deformation of magnesium alloy at different temperatures and strain rate is simulated by molecular dynamics method, the mechanical properties and microstructure changes of magnesium alloy are analyzed, the phase transformation mechanism of magnesium alloy under uniaxial compression is revealed, and the effects of temperature and strain rate on the phase transformation of magnesium alloy are explored at the nanometer scale. It provides a theoretical basis and necessary basic knowledge for the design and development of Mg-based nanostructured alloys with excellent mechanical properties.
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