渐进成核和生长过程中晶体尺寸概率密度的福克-普朗克方程及其在对数正态分布、高斯分布和伽马分布中的应用

IF 1.7 4区 材料科学 Q3 CRYSTALLOGRAPHY Journal of Crystal Growth Pub Date : 2024-10-24 DOI:10.1016/j.jcrysgro.2024.127970
M. Tomellini , M. De Angelis
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引用次数: 0

摘要

福克-普朗克(FP)方程推导出了在渐进成核和生长的相变过程中晶体尺寸的概率密度函数(PDF)。晶体被分组为子集,我们称之为 τ 晶体,其中 τ 是子集的诞生时间。研究表明,尺寸 PDF 是晶体子集(τ-PDF)PDF 的叠加,其权重由成核率决定。进入 FP 方程的生长和扩散系数是作为 τ-PDFs 和成核率的函数估算的。针对对数正态分布、高斯分布和伽马分布给出的 τ 晶体 FP 方程的解,研究了这些系数的函数形式。对于前两种分布,研究了波动、成核率和生长率对分布形状的影响。研究表明,对于指数衰减的波动项,PDF 的形状主要受成核时间常数和波动强度的影响。研究发现,由单参数伽马分布给出的 τ-PDF 适合于处理 KJMA(Kolmogorov Johnson Mehl Avrami)顺应相变,其中波动项与晶体尺寸成正比。此外,还讨论了尺寸 PDF 的 FP 方程与晶体群密度演化方程之间的联系。
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Fokker-Planck equation for the crystal-size probability density in progressive nucleation and growth with application to lognormal, Gaussian and gamma distributions
The Fokker Planck (FP) equation for the probability density function (PDF) of crystal size in phase transformations ruled by progressive nucleation and growth, has been derived. Crystals are grouped in sub-sets, we refer to as τ-crystals, where τ is the birth time of the set. It is shown that the size PDF is the superposition of the PDF of the crystal sub-sets (τ-PDFs), with weight given by the nucleation rate. The growth and diffusion coefficients entering the FP equations are estimated as a function of both τ-PDFs and nucleation rate. The functional form of these coefficients is studied for solutions of the FP equation for τ-crystals given by the lognormal, Gaussian and gamma distributions. For the first two distributions, the effect of fluctuations, nucleation rate and growth rate, on the shape of the distribution has been investigated. It is shown that for an exponential decay of the fluctuation term, the shape of the PDF is mainly governed by both the time constant for nucleation and the strength of the fluctuation. It is found that τ-PDFs given by the one-parameter gamma distributions are suitable to deal with KJMA (Kolmogorov Johnson Mehl Avrami) compliant phase transformations, where the fluctuation term is proportional to crystal size. The connection between the FP equation for the size PDF and the evolution equation for the density of crystal populations is also discussed.
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来源期刊
Journal of Crystal Growth
Journal of Crystal Growth 化学-晶体学
CiteScore
3.60
自引率
11.10%
发文量
373
审稿时长
65 days
期刊介绍: The journal offers a common reference and publication source for workers engaged in research on the experimental and theoretical aspects of crystal growth and its applications, e.g. in devices. Experimental and theoretical contributions are published in the following fields: theory of nucleation and growth, molecular kinetics and transport phenomena, crystallization in viscous media such as polymers and glasses; crystal growth of metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances in bulk or as thin films; molecular beam epitaxy, chemical vapor deposition, growth of III-V and II-VI and other semiconductors; characterization of single crystals by physical and chemical methods; apparatus, instrumentation and techniques for crystal growth, and purification methods; multilayer heterostructures and their characterisation with an emphasis on crystal growth and epitaxial aspects of electronic materials. A special feature of the journal is the periodic inclusion of proceedings of symposia and conferences on relevant aspects of crystal growth.
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