Kinetic Monte Carlo Simulation of EB-PVD Film:Effects of Substrate Temperature  

作　　者：SHAN Ying-chun HE Xiao-dong LI Ming-wei LI Yao XU Jiu-jun 

机构地区：[1]Electromechanics and Materials Engineering College, Dalian Maritime University, Dalian 116026, China [2]Center for Composite Materials, Harbin Institute of Technology, Harbin 150001, China [3]ChengDu Aircraft Design ＆ Research Institute, Chengdu 610041, China

出　　处：《Chinese Journal of Aeronautics》2006年第B12期86-90,共5页中国航空学报（英文版）

基　　金：Hi-tech Research and Development Program of China (2002AA763020);National Natural Science Foundation of China (50304007);Fund of Beforehand Research of National Defense (51418040304HT0114);New Century Excellent Talents in University 2004

摘　　要：The 2D kinetic Monte Carlo （KMC） simulation was used to study the effects of different substrate temperatures on the microstructure of Ni-Cr films in the process of deposition by the electron beam physical vapor deposition （EB-PVD）. In the KMC model, substrate was assumed to be a ＂surface＂ of tight-packed rows, and the simulation includes two phenomena： adatom-surface collision and adatom diffusion. While the interaction between atoms was described by the embedded atom method, the jumping energy was calculated by the molecular static （MS） calculation. The initial location of the adatom was defined by the Momentum Scheme. The results reveal that there exists a critical substrate temperature which means that the lowest packing density and the highest surface roughness structure will be achieved when the temperature is lower than the smaller critical value, while the roughness of both surfaces and the void contents keep decreasing with the substrate temperature increasing until it reaches the higher critical value. The results also indicate that the critical substrate temperature rises as the deposition rate increases.The 2D kinetic Monte Carlo （KMC） simulation was used to study the effects of different substrate temperatures on the microstructure of Ni-Cr films in the process of deposition by the electron beam physical vapor deposition （EB-PVD）. In the KMC model, substrate was assumed to be a ＂surface＂ of tight-packed rows, and the simulation includes two phenomena： adatom-surface collision and adatom diffusion. While the interaction between atoms was described by the embedded atom method, the jumping energy was calculated by the molecular static （MS） calculation. The initial location of the adatom was defined by the Momentum Scheme. The results reveal that there exists a critical substrate temperature which means that the lowest packing density and the highest surface roughness structure will be achieved when the temperature is lower than the smaller critical value, while the roughness of both surfaces and the void contents keep decreasing with the substrate temperature increasing until it reaches the higher critical value. The results also indicate that the critical substrate temperature rises as the deposition rate increases.

关 键 词：substrate temperature FILM kinetic Monte Carlo EB-PVD 

分 类 号：TG174.444[金属学及工艺—金属表面处理]