Kinetic Monte Carlo simulation of 3-D growth of NiTi alloy thin films

被引：8
作者：
Zhu, Yiguo [1 ,2 ]
Pan, Xi [1 ,2 ]
机构：
[1] Dalian Univ Technol, Fac Vehicle Engn & Mech, Da Lian 116023, Peoples R China
[2] State Key Lab Struct Anal Ind Equipment, Da Lian 116023, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2014年 / 321卷
关键词：
Monte Carlo simulation; Thin film growth; NiTi alloy; Island morphology; Energy function; MECHANICAL-PROPERTIES; DEPOSITION; MORPHOLOGY;
D O I：
10.1016/j.apsusc.2014.09.115
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
In this paper, a 3-D Monte Carlo model for NiTi alloy thin film growth on square lattice substrate is presented. The model is based on the description of the phenomenon in terms of adsorption, diffusion and re- evaporation of different atoms on the substrate surface. In this article, multi-body NiTi potential is used to calculate diffusion activation energy. The energy which is related to the types of the atoms is equal to the total energy change of the system before and after the diffusion process happens. The simulations serve the purpose of investigation of the role of diffusion in the determination of the microstructure ofthe alloy clusters. The effects of the substrate temperature and the deposition rate on the morphology ofthe island are also presented. The island size distribution and roughness evolution have been computed and compared with our experimental results. (C) 2014 Elsevier B.V. All rights reserved.
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页码：24 / 29
页数：6
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