单晶铝微构件拉伸过程的分子动力学仿真研究

Molecular Dynamics Simulation of Tensile Deformation of Single Crystal Aluminum Microstructure

建立了单晶铝微构件拉伸过程的分子动力学仿真模型,利用Morse势函数对微构件的拉伸过程进行了仿真计算。从能量演化的角度解释了拉伸过程仿真在平衡阶段、裂纹产生和断裂阶段的若干力学现象。计算得到单晶铝微构件的断裂强度为22.1GPa。用Griffith断裂理论解释了微构件的断裂机理以及高强度产生的原因。

Molecular dynamics simulation is used to simulate tensile deformation process of single crystal Aluminum , where the Newton equations of motion are solved utilizing the Morse potential. From the energy evolve-ment point of view, some dynamics behaviors in equilibrium, crack propagation and fracture phases are illustrated. The fracture strength of microstructure obtained from simulation is about 22. IGPa. The Griffith's theory is used to make it clear that fracture strength of microstructure is greatly higher than fracture strength of bulk material.