| 凹槽形Cu衬底上同质外延生长的分子动力学模拟 |
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| 引用本文： | 赵强,赵骞,祁阳. 凹槽形Cu衬底上同质外延生长的分子动力学模拟[J]. 辽宁石油化工大学学报, 2011, 31(1): 67-71. DOI: 10.3696/j.issn.1672-6952.2011.01.019 |
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| 作者姓名： | 赵强 赵骞 祁阳 |
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| 作者单位： | 1.沈阳工业大学理学院,辽宁沈阳110780;2.东北大学理学院材料物理与化学研究所,辽宁沈阳110004 |
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| 基金项目： | 辽宁省教育厅高校科学技术研究项目(No.20076462) |
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| 摘 要： | 应用分子动力学方法模拟在刻有不同“深/宽”且截面为矩形凹槽的Cu衬底上进行同质外延生长的过程。原子间采用嵌入原子方法(EAM)模型。模拟结果表明,凹槽的“深/宽”及沉积粒子的入射能对晶界倾角θ 和V→/V↑ 产生影响,θ 随入射能增大而增大,V→/V↑ 随入射能增大而减小;在1000K 温度时,“深/宽”为1/2时,不能形成较理想的薄膜,薄膜表面外延生长方向全部为竖直方向;而在“深/宽”为1/1,入射能为10eV 时,能形成较理想薄膜。
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| 关 键 词： | 分子动力学 外延生长 计算机模拟 |
| 收稿时间： | 2010-11-21 |
Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu |
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| ZHAO Qiang,ZHAO Qian,QI Yang. Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu[J]. Journal of Liaoning University of Petroleum & Chemical Technology, 2011, 31(1): 67-71. DOI: 10.3696/j.issn.1672-6952.2011.01.019 |
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| Authors: | ZHAO Qiang ZHAO Qian QI Yang |
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| Affiliation: | ZHAO Qiang1,ZHAO Qian1,QI Yang2(1.College of Science,Shenyang University of Technology,Shenyang Liaoning 110780,P.R.China,2.Institute of Materials Physics and Chemistry,College of Science,Northeastern University,Shenyang Liaoning 110004,P.R.China)Received 21 November 2010,revised 10 December 2010,accepted 20 December 2010 |
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| Abstract: | Application of molecular dynamics simulation in different engraved with "deep / wide" for the rectangular cross-section groove and the Cu substrate on the epitaxial growth process of homogeneous using embedded-atom method model among atoms(EAM).Simulation results show that the "depth/width" of the groove and deposition of particles to the incident angle θ of the grain boundary and V → / V ↑ influence,with the incident θ can be increased with the increase of it,with the incident V → / V ↑ can be decreased;When the temperature is 1 000 K,the "depth / width" is 1/2,a better film can not be formed,thin film epitaxial growth direction of the surface of all vertical.When the "depth / width" is 1/1,the incident can be formed at 10 eV better film. |
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| Keywords: | Molecular dynamics Epitaxial growth Computer simulation |
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