压痕过程中非晶Cu形变诱导晶化行为的原子模拟  

ATOMISTIC SIMULATION OF DEFORMATION-INDUCED CRYSTALLIZATION BEHAVIOR DURING THE INDENTATION PROCESS FOR AMORPHOUS Cu

作　　者：王海龙[1] 王秀喜[1] 王宇[1] 梁海弋[1] 

机构地区：[1]中国科学技术大学中国科学院材料力学行为和设计重点实验室,合肥230026

出　　处：《金属学报》2007年第3期259-263,共5页Acta Metallurgica Sinica

基　　金：国家自然科学基金10502047~~

摘　　要：采用Mishin镶嵌原子势,通过分子动力学方法模拟了非晶Cu在压痕作用下的形变诱导晶化行为,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,晶核不断生长与合并,局部塑性变形是导致非晶晶化的根本原因．最终生成的晶粒具有面心立方结构,其(111)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 deformation-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 nucleuses appear at the plastic deformation region, then grow and coalesce with deformation. The local plastic deformation is the essential reason of amorphous crystallization. The final crystalline phase has an fcc structure of which the （111） plane is parallel to the shear plane. The nanocrystal grains embedded in the amorphous phase can enhance the rigidity of the sample.

关 键 词：压痕 非晶Cu 应力晶化 分子动力学 

分 类 号：TG146.4[一般工业技术—材料科学与工程]