Monte Carlo simulation of the effect of atomic diagonal transition on cluster diffusion |
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| Authors: | Xie Feng Wang Xiao-Ping Shi Qin-Wei Zhao Te-Xiu |
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| Affiliation: | Department of Physics, University of Science and Technology of China, Hefei 230026, China; Structure Research Laboratory, University of Science and Technology of China, Hefei 230026, China |
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| Abstract: | The effect of atomic diagonal transition on the cluster diffusion and its size dependence is simulated by kinetic Monte Carlo method. The thresholds of atomic diagonal transition barriers E_{dt} are found to be 0.2eV and 0.4eV, corresponding to with and without evaporation and condensation mechanism, respectively. The results indicate that the cluster diffusion is controlled primarily by the atomic diagonal transition, and the cluster diffusion coefficient D decreases drastically with increasing E_d when E_dE_{dt}, and the relationship between D and N changes into D∝N^{-1.08±0.027}. |
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| Keywords: | cluster diffusion Monte Carlo simulation barrier |
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