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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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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 P_2 of a dimer which is the smallest cluster of the nucleating phase.The method is based on an exact formula relating J and P_2,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,该方法利用关于成核相最小簇的二聚体的生长概率P_2的数据确定静态单组分成核率J.该方法基于与J相关的精确公式和P_2,并且很容易应用于成核的计算机模拟。使用该方法,通过对Kossel(100)面上的单层二维(2D)成核的动力学蒙特卡洛模拟,确定J对过饱和s的依赖性。跟踪J的变化超过11个数量级,发现经典成核理论通过s依赖因子高估了模拟J值。经典成核定理令人满意地描述了二维成核大小Gibbs-Thomson方程及其校正版本解决了2D成核的旋节线极限。

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