Monte Carlo simulation of the effect of atomic diagonal transition on cluster diffusion
Xie Feng (谢峰)a, Wang Xiao-Ping (王晓平)ab, Shi Qin-Wei (石勤伟)b, Zhao Te-Xiu (赵特秀)a
a Department of Physics, University of Science and Technology of China, Hefei 230026, China; b Structure Research Laboratory, University of Science and Technology of China, Hefei 230026, China
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 $E_d<E_{dt}$. Moreover, D is also found to depend on the cluster size N. The size dependence of D can be described by $D \varpropto N^{-1:57\pm0:034}$ when $E_d=0$. This behaviour is very close to that of the perfect periphery diffusion. On the contrary, D is almost independent of $E_d$ when $E_d > E_{dt}$, and the relationship between D and N changes into $D\varpropto N^{-1.08\pm0.027}$.
Received: 01 March 2003
Revised: 03 April 2003
Accepted manuscript online:
(Diffusion of adsorbates, kinetics of coarsening and aggregation)
Fund: Project supported by the National Natural Science Foundation of China (Grant No 10274076).
Cite this article:
Xie Feng (谢峰), Wang Xiao-Ping (王晓平), Shi Qin-Wei (石勤伟), Zhao Te-Xiu (赵特秀) Monte Carlo simulation of the effect of atomic diagonal transition on cluster diffusion 2003 Chinese Physics 12 778
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