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Determining the nucleation rate from the dimer growth probability

机译:从二聚体生长概率确定成核率

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摘要

A new method is proposed for the determination of the stationary one-component nucleation rate J with the help of data for the growth probability P2 of a dimer which is the smallest cluster of the nucleating phase. The method is based on an exact formula relating J and P2, and is readily applicable to computer simulations of nucleation. Using the method, the dependence of J on the supersaturation s is determined by kinetic Monte Carlo simulations of two-dimensional (2D) nucleation of monolayers on the (100) face of Kossel crystal. The change of J over nearly 11 orders of magnitude is followed and it is found that the classical nucleation theory overestimates the simulation J values by an s-dependent factor. The 2D nucleus size evaluated via the nucleation theorem is described satisfactorily by the classical Gibbs-Thomson equation and its corrected version accounting for the spinodal limit of 2D nucleation.
机译:提出了一种新的方法,该方法借助于作为成核相的最小簇的二聚体的生长概率P2的数据来确定固定的单组分成核率J。该方法基于与J和P2相关的精确公式,可容易地应用于成核的计算机模拟。使用该方法,通过对Kossel晶体(100)面上的单分子层进行二维(2D)成核的动力学蒙特卡洛模拟,确定了J对过饱和度s的依赖性。跟踪了J在近11个数量级上的变化,发现经典成核理论通过s依赖因子高估了模拟J值。通过成核定理评估的2D晶核大小可以通过经典的Gibbs-Thomson方程及其修正版本(描述了2D成核的旋节线极限)得到令人满意的描述。

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