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Diffusion Dynamics of Cux Cluster on Cu(111) Surface

Diffusion Dynamics of Cux Cluster on Cu(111) Surface
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摘要 The diffusion dynamics of small two-dimensional atomic clusters Cux (1≤x≤8) on Cu(lll) surface were studied using the molecular dynamics simulations and a modified analytic embedded-atom method in the temperature range from 200 K to 800 K. The cluster size and temperature dependence of the diffusion coefficients and migration energies are presented. Our simulations show that the diffusion migration energy of the CuT cluster is the highest and the prefactor for the CuT cluster is almost three orders of magnitude larger than that for single atom diffusion. This conclusion is consistent with the experimental results for similar metals. In addition, the dependence of cluster diffusion on film growth is also discussed.
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2008年第1期27-31,共5页 化学物理学报(英文)
基金 ACKNOWLEDGMENT This work was supported Natural Science Foundation by the Hunan Provincial of China (No.06JJ2100).
关键词 CLUSTER Molecular dynamics Surface diffusion 团簇 分子动力学 表面扩散
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