采用Mishin镶嵌原子势，通过分子动力学方法模拟了非晶铜在压痕作用下的应力晶化行为，考察了压痕过程中能量、应力与微观结构演化的关系。局部塑性变形区域出现微小晶核,随着变形的增加，晶粒不断发生生长与合并,局部塑性变形导致晶粒成核、生长与合并的根本原因。最终生成的晶粒具有面心立方结构，其(111)方向密排面平行于剪切面,非晶相中的纳米晶粒能提高非晶材料的刚度。
Molecular dynamics simulations were performed to investigate stress induced crystallization behavior during the indentation process for amorphous Cu. The interaction between atoms in the system adopts the embedded atom method (EAM) reported by Mishin. The Variations of energy, stress and microstructure during the indentation process were studied. The results show that the small grains nucleate at the plastic deformation region, then grow and coalesce with deformation. The local plastic deformation induces the crystal nucleation, grain growth and grain coalescence. The final crystalline phase has an FCC structure which (111) plane is parallel to the shear direction. The nanocrystal grains embedded in the amorphous phase can enhance the rigidity of the sample.
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