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Molecular dynamics simulation of energetic Cu-55 clusters deposition on a Fe (001) surface

文献类型：期刊论文

作者Zhang, Shixu2,3; Chen, Xuanzhi3; Wang, Zhiguang2; Gong, Hengfeng1,3; Li, Gongping3; Gao, Ning2
刊名COMPUTATIONAL MATERIALS SCIENCE
出版日期2015-02
卷号97页码:165-171
关键词Molecular dynamics simulation Cluster deposition Incident energy Substrate temperature Spreading index Epitaxial degree
ISSN号0927-0256
DOI10.1016/j.commatsci.2014.10.030
英文摘要The energetic Cu-55 clusters deposition on a Fe (001) surface was investigated by the molecular dynamics simulation. A many-body potential based on Finnis-Sinclair model is used to describe the interactions among atoms. The clusters with incident energies ranging from 0.5 to 30.0 eV/atom, respectively, are deposited on the substrates with various temperatures (300, 700 and 1000 K). The collective collisions play a dominant role in the interaction between the energetic cluster and the solid surface is demonstrated by analyzing the number of defects in the substrate and the "snapshots'' during the deposition process. The energy of the cluster rapidly transfers to the substrate through the collective collisions. Then the atoms in the collision region are activated and get the migration energies to complete their migration and reconstruction. In addition, the effects of the incident energy and substrate temperature on the number of the cluster implantation atoms, the number of defects in the substrate, the spreading index and structure parameter of the cluster are investigated. The results show that the incident energy mainly influences the penetration and diffusion of the cluster, and the number of defects in the substrate and the epitaxial degree of the cluster are affected by both the incident energy and substrate temperature. By the contrast analysis, the moderate incident energy (about 5.0 eV/atom) and the low substrate temperature (300 K) are suited to grow high-quality epitaxial layers. (C) 2014 Elsevier B.V. All rights reserved.
WOS关键词CU/FE/CU/SI(111) ULTRATHIN FILMS ; COMPUTER-SIMULATION ; MAGNETIC-PROPERTIES ; CU ; SUBSTRATE ; LAYERS
资助项目National Natural Science Foundation of China[91026002]
WOS研究方向Materials Science
语种英语
WOS记录号WOS:000345508100023
出版者ELSEVIER SCIENCE BV
源URL[http://119.78.100.186/handle/113462/56670]  
专题近代物理研究所_先进核能材料研究室（ADS）
通讯作者Li, Gongping
作者单位1.Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat Sci & Engn, Shanghai 201800, Peoples R China
2.Chinese Acad Sci, Inst Modern Phys, Lab Adv Nucl Mat, Lanzhou 730000, Peoples R China
3.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Shixu,Chen, Xuanzhi,Wang, Zhiguang,et al. Molecular dynamics simulation of energetic Cu-55 clusters deposition on a Fe (001) surface[J]. COMPUTATIONAL MATERIALS SCIENCE,2015,97:165-171.
APA Zhang, Shixu,Chen, Xuanzhi,Wang, Zhiguang,Gong, Hengfeng,Li, Gongping,&Gao, Ning.(2015).Molecular dynamics simulation of energetic Cu-55 clusters deposition on a Fe (001) surface.COMPUTATIONAL MATERIALS SCIENCE,97,165-171.
MLA Zhang, Shixu,et al."Molecular dynamics simulation of energetic Cu-55 clusters deposition on a Fe (001) surface".COMPUTATIONAL MATERIALS SCIENCE 97(2015):165-171.

入库方式： OAI收割

来源：近代物理研究所

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