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题名: Diffusion of tungsten clusters on tungsten (110) surface
作者: Chen, D.1;  Hu, W.1;  Yang, J.2;  Deng, H.1;  Sun, L.3;  Gao, F.4
刊名: EUROPEAN PHYSICAL JOURNAL B
发表日期: 2009-04-01
DOI: 10.1140/epjb/e2009-00100-1
卷: 68, 期:4, 页:479-485
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Condensed Matter
研究领域[WOS]: Physics
英文摘要: Using molecular dynamics simulation and modified analytic embedded-atom method, we have investigated the self-diffusion of clusters on a tungsten (110) surface. As compared to the linear-chain configuration, the close-packed islands for tungsten clusters containing more than nine adatoms have been predicted to be more stable with the relatively lower binding energies. The migration energies show an interesting and oscillating behavior with increasing cluster size. The tetramer, hexamer and octamer have obviously higher migration energies than the others. The different atomic configurations and diffusion mechanisms have been determined during the diffusion processes. It is clear that the dimer-shearing mechanism occurs inside the hexamer, while it occurs at the periphery of heptamer. The successive hopping mechanism of individual atom is of critical importance in the migration of the clusters containing five or fewer adatoms. In addition, the diffusion of a cluster with nine adatoms is achieved through the changes of the cluster shape.
关键词[WOS]: EMBEDDED-ATOM-METHOD ;  POINT-DEFECT PROPERTIES ;  SMALL CU CLUSTERS ;  MOLECULAR-DYNAMICS ;  METAL-SURFACES ;  PD CLUSTERS ;  MECHANISMS ;  POTENTIALS ;  ENERGETICS ;  MOBILITY
语种: 英语
WOS记录号: WOS:000266144800001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141274
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Hunan Univ, Dept Appl Phys, Changsha 410082, Peoples R China
2.Hunan Inst Engn, Dept Math & Phys, Xiangtan 411104, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, Mat & Thermochem Lab, Dalian 116023, Peoples R China
4.Pacific NW Natl Lab, Richland, WA 99352 USA

Recommended Citation:
Chen, D.,Hu, W.,Yang, J.,et al. Diffusion of tungsten clusters on tungsten (110) surface[J]. EUROPEAN PHYSICAL JOURNAL B,2009,68(4):479-485.
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