Monte Carlo simulations of phase transformations caused by nucleation and subsequent anisotropic growth: Extension of the Johnson-Mehl-Avrami-Kolmogorov theory
Monte Carlo simulations of phase transformations caused by nucleation and subsequent anisotropic growth: Extension of the Johnson-Mehl-Avrami-Kolmogorov theory
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DOI：
10.1103/physrevb.70.224108
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发表时间：
2004-12
影响因子：
3.7
通讯作者：
B. Kooi
中科院分区：
文献类型：
--
作者：
B. Kooi
基于温度和时间相关的成核速率和温度相关的和时间无关的各向异性生长速率（线性生长）进行等温相变的蒙特卡罗（MC）模拟。一维或二维各向异性生长在二维空间被认为是随机发生的成核整个空间。MC模拟表明，平行生长的各向异性增长的变换产品具有相同的凸形可以准确地描述由于约翰逊，梅尔，Avrami和Kolmogorov（JMAK）的动力学理论，但非平行各向异性增长，正交在本工作中，将阻塞到所有相关的订单导致硬碰撞，结果在强烈的偏差从JMAK动力学。一个透明的分析描述扩展，但结合JMAK理论已被开发出来，准确地再现所有本MC模拟的数值结果，从而提高了对撞击应如何纳入JMAK理论的理解。
Monte Carlo (MC) simulations of isothermal phase transformations were performed based on a temperature- and time-dependent nucleation rate and a temperature-dependent and time-independent anisotropic growth rate (linear growth). One- or two-dimensional anisotropic growth in two-dimensional space is considered and nucleation occurs randomly throughout space. The MC simulations show that parallel growth of anisotropically growing transformation products with identical convex shape can be described accurately by the kinetic theory due to Johnson, Mehl, Avrami, and Kolmogorov (JMAK), but nonparallel anisotropic growth, orthogonal in the present work, incorporating blocking up to all relevant orders leads to hard impingement that results in strong deviations from JMAK kinetics. A transparent analytical description extending on, but incorporating the JMAK theory has been developed that turns out to accurately reproduce the numerical results of all present MC simulation, leading to improved understanding of how impingement should be incorporated in JMAK theory.