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.

中文翻译：

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镁合金单轴压缩转变的分子动力学研究

分子动力学模拟作为一种计算材料的新方法，可以有效地在原子水平上再现材料的力学行为。本文通过构建AZ31镁合金模型，采用分子动力学方法模拟了镁合金在不同温度和应变速率下的单轴压缩变形，分析了镁合金的力学性能和组织变化，相变机理揭示了镁合金在单轴压缩下的特性，并在纳米尺度上探索了温度和应变速率对镁合金相变的影响。为设计和开发具有优异力学性能的镁基纳米结构合金提供了理论依据和必要的基础知识。