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Nucleus size and Zeldovich factor in two-dimensional nucleation at the Kossel crystal (001) surface

机译:Kossel晶体(001)表面二维成核的核尺寸和Zeldovich因子

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A Monte Carlo simulation method to determine the growth probability of two-dimensional clusters on the Kossel (0 0 1) surface is described. From this growth probability the nucleus size and the Zeldovich factor for two-dimensional nucleation were obtained. For low supersaturations the Gibbs-Thomson equation describes the supersaturation dependency of the nucleus size very well. At higher supersaturations a deviation from the predicted nucleus sizes is observed. This is mainly due to the size dependence of the apparent specific step free energy and/or the shape factor of the nucleus. A small systematic deviation between the theoretical and actual growth probability is observed and explained. (C) 2004 Elsevier B.V. All rights reserved.
机译:描述了确定二维簇在科塞尔(0 0 1)面上的生长概率的蒙特卡罗模拟方法。从该生长概率获得了用于二维成核的核尺寸和Zeldovich因子。对于低过饱和度,Gibbs-Thomson方程很好地描述了核尺寸的过饱和依赖性。在较高的过饱和度下,观察到与预测核尺寸的偏差。这主要是由于表观特定阶跃自由能的大小依赖性和/或原子核的形状因子。观察到并解释了理论和实际增长概率之间的小系统偏差。 (C)2004 Elsevier B.V.保留所有权利。

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