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点岛模式下不可逆团簇成核与生长的上临界尺寸。

Upper critical dimension for irreversible cluster nucleation and growth in the point-island regime.

作者信息

Shi Feng, Shim Yunsic, Amar Jacques G

机构信息

Department of Physics & Astronomy, University of Toledo, Toledo, Ohio 43606, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Aug;74(2 Pt 1):021606. doi: 10.1103/PhysRevE.74.021606. Epub 2006 Aug 29.

Abstract

We compare the results of kinetic Monte Carlo (KMC) simulations of a point-island model of irreversible nucleation and growth in four dimensions (4D) with the corresponding mean-field (MF) rate-equation predictions for the monomer density, island density, island-size distribution (ISD), capture-number distribution (CND), and capture-zone distribution (CZD), in order to determine the critical dimension d(c) for mean-field behavior. The asymptotic behavior is studied as a function of the fraction of occupied sites (coverage) and the ratio DF of the monomer hopping rate D to the (per site) monomer creation rate F. Excellent agreement is found between our KMC simulation results and the MF rate equation results for the average island and monomer densities. For large D/F, the scaled CND and CZD do not depend on island size, in good agreement with the MF prediction, while the scaled ISD also agrees well with the MF prediction except for a slight difference at the peak values. Coupled with previous results obtained in d = 3 , these results indicate that for growth in the point-island regime, the upper critical dimension for irreversible cluster nucleation and growth is equal to 4.

摘要

我们将四维(4D)不可逆成核与生长的点岛模型的动力学蒙特卡罗(KMC)模拟结果,与单体密度、岛密度、岛尺寸分布(ISD)、捕获数分布(CND)和捕获区分布(CZD)的相应平均场(MF)速率方程预测结果进行比较,以确定平均场行为的临界维度d(c)。研究了渐近行为作为占据位点分数(覆盖率)和单体跳跃率D与(每个位点)单体产生率F的比值DF的函数。我们的KMC模拟结果与平均岛密度和单体密度的MF速率方程结果之间发现了极好的一致性。对于大的D/F,缩放后的CND和CZD不依赖于岛尺寸,这与MF预测非常吻合,而缩放后的ISD除了峰值处有轻微差异外,也与MF预测吻合得很好。结合先前在d = 3时获得的结果,这些结果表明,对于点岛模式下的生长,不可逆团簇成核与生长的上临界维度等于4。

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