论文标题

关于成核底产对相变动力学的影响

On the Effect of Nucleation Undercooling on Phase Transformation Kinetics

论文作者

Mancias, José, Attari, Vahid, Arróyave, Raymundo, Tourret, Damien

论文摘要

我们在约翰逊 - 米尔 - 阿瓦米 - 科尔莫格罗夫(JMAK)的一阶相变动力学和相位场(PF)基准问题上的一阶相变动力学理论之间进行了广泛的比较。为了解决该问题的随机性,进行了数百次模拟,以建立对PF和JMAK转化动力学之间的巧合和差异的全面,统计学上的分析。我们发现PF预测与经典成核理论和JMAK理论都非常吻合,只要后者的原始假设得到适当复制(特别是无限域中的恒定成核和生长速率)。当与这些假设偏离这些假设时,PF结果与JMAK理论不符。特别是,我们观察到,相对于临界成核半径$ r^*$,初始粒子半径$ r_0 $的大小对转换速率具有重要影响。尽管PF和JMAK同意$ r_0 $足够高于$ r^*$,但粒子的初始瞬态生长阶段的持续时间在达到稳定的增长速度之前,增加为$ r_0/r_0/r^*\至1 $。这种孵化时间对整体动力学有重大影响,例如在多粒子模拟的Avrami指数上。相反,对于所考虑的条件和参数,界面曲率对转化动力学的影响 - 尤其是在粒子撞击过程中出现的负曲率区域,在PF中存在,但在JMAK理论中不存在 - 与$ r_0/r_0/r_0/r^*$相比,界面曲率的影响似乎很小。我们认为,随机过程(例如成核)的相位模型的严格基准测试需要足够的统计数据,以便对地面真理理论进行严格的比较。在这些问题中,对概率分布的分析显然比确定性方法更可取。

We carry out an extensive comparison between Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory of first-order phase transformation kinetics and phase-field (PF) results of a benchmark problem on nucleation. To address the stochasticity of the problem, several hundreds of simulations are performed to establish a comprehensive, statistically-significant analysis of the coincidences and discrepancies between PF and JMAK transformation kinetics. We find that PF predictions are in excellent agreement with both classical nucleation theory and JMAK theory, as long as the original assumptions of the latter are appropriately reproduced - in particular, the constant nucleation and growth rates in an infinite domain. When deviating from these assumptions, PF results are at odds with JMAK theory. In particular, we observe that the size of the initial particle radius $r_0$ relative to the critical nucleation radius $r^*$ has a significant effect on the rate of transformation. While PF and JMAK agree when $r_0$ is sufficiently higher than $r^*$, the duration of initial transient growth stage of a particle, before it reaches a steady growth velocity, increases as $r_0/r^*\to 1$. This incubation time has a significant effect on the overall kinetics, e.g. on the Avrami exponent of the multi-particle simulations. In contrast, for the considered conditions and parameters, the effect of interface curvature upon transformation kinetics - in particular negative curvature regions appearing during particle impingement, present in PF but absent in JMAK theory - appears to be minor compared to that of $r_0/r^*$. We argue that rigorous benchmarking of phase-field models of stochastic processes (e.g. nucleation) need sufficient statistical data in order to make rigorous comparisons against ground truth theories. In these problems, analysis of probability distributions is clearly preferable to a deterministic approach.

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