基于多尺度模拟研究Ni/Cu薄膜压痕塑性的原子机制  

Atomistic mechanisms of the incipient plasticity of nano-indented Ni/Cu films via multi-scale simulations

作　　者：邵宇飞[1] 高科[2] 杨鑫[1] 李久会[3] 赵星[3] 

机构地区：[1]辽宁工程技术大学应用物理与技术研究所,葫芦岛125105 [2]辽宁工程技术大学安全科学与工程学院,葫芦岛125105 [3]辽宁工业大学理学院,锦州121001

出　　处：《原子与分子物理学报》2017年第4期779-785,共7页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(51404126);辽宁省教育厅一般科学研究项目(L2014135);辽宁省自然科学基金(201602360)

摘　　要：基于准连续介质多尺度模拟方法研究了Ni/Cu双层薄膜初始压痕塑性的原子机制,结果主要包括:(1)当Ni晶体层厚度小于10nm时,随着Ni晶体层厚度的减少,薄膜弹性极限所对应的临界接触力逐渐降低,即Ni/Cu薄膜随Ni晶体层厚度减小而变软;(2)压头下方晶格Shockley分位错的开动、界面位错的分解、以及界面位错与晶格位错的相互作用是Ni/Cu薄膜初始塑性的微观原子机制,(3)根据模拟结果观察和位错弹性理论计算,承载初始塑性的界面位错数目变少是Ni/Cu薄膜软化的主要原子机制.本文研究结果能够为异质界面力学行为研究提供有益参考.The atomistic mechanisms of the incipient plasticity of nano - indented Ni/Cu bi - layer films were studied by using the quasicontinuum multi - scale simulations. Results show that （ 1 ） the critical contact force under elastic limit condition decreases with the thickness of Ni layer, when the thickness of Ni layer is less than 10 nm, there is a weakening effect of Ni/Cu films： （2） the operation of Shockley partial dislocation, disassoci- ation of interface dislocation, and interactions between interface dislocations and lattice dislocations are the main mechanisms of the incipient plasticity of Ni/Cu films ; （3） decreasing of the amount of activated interface dislo- cations is the main reason for the weakening of Ni/Cu films, based on further defect structure observations and theoretical calculations. Studies on the mechanical behavior of heterogeneous interfaces can be benefit from the present research results.

关 键 词：纳米薄膜 多尺度模拟 原子机制 初始塑性 

分 类 号：O[理学]