辐照结晶固体中孔洞生长和粗化的两类相场模型分析

K. Ahmed, A. El-Azab
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引用次数: 12

摘要

对辐照固体中空洞生长和粗化的两类相场模型进行了正式的渐近分析,以评估它们的锐界面动力学。发现B型模型的锐界面极限捕获了扩散控制动力学,该模型仅将点缺陷浓度作为由Cahn-Hilliard方程控制的阶参量。在与孔洞生长阶段相关的高驱动力情况下,B型模型可归结为广义单侧经典Stefan问题,而在孔洞粗化过程中,当驱动力较低时,B型模型可归结为广义单侧Mullins-Sekerka问题。后一种情况符合著名的速率理论对空洞生长的描述。C型模型包括点缺陷浓度和用于区分空穴相和固相的非守恒阶参数,并采用耦合的Cahn-Hilliard和Allen-Cahn方程,显示了混合扩散和界面动力学。特别地,模型C的Allen-Cahn方程简化为代表点缺陷在空隙表面附着和发射动力学的界面本构定律。在与空隙生长阶段相关的高驱动力的极限下,C型模型简化为具有动力阻力的广义单侧Stefan问题。然而,在表征孔隙粗化阶段的低驱动力极限下,该模型简化为具有动力阻力的广义单侧Mullins-Sekerka问题。本文的分析通过将这些模型与最近发展的锐界面理论相匹配,为构建晶体固体中辐照驱动的孔洞成核和生长的定量相场模型铺平了道路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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An analysis of two classes of phase field models for void growth and coarsening in irradiated crystalline solids

A formal asymptotic analysis of two classes of phase field models for void growth and coarsening in irradiated solids has been performed to assess their sharp-interface kinetics. It was found that the sharp interface limit of type B models, which include only point defect concentrations as order parameters governed by Cahn-Hilliard equations, captures diffusion-controlled kinetics. It was also found that a type B model reduces to a generalized one-sided classical Stefan problem in the case of a high driving thermodynamic force associated with the void growth stage, while it reduces to a generalized one-sided Mullins-Sekerka problem when the driving force is low in the case of void coarsening. The latter case corresponds to the famous rate theory description of void growth. Type C models, which include point defect concentrations and a non-conserved order parameter to distinguish between the void and solid phases and employ coupled Cahn-Hilliard and Allen-Cahn equations, are shown to represent mixed diffusion and interfacial kinetics. In particular, the Allen-Cahn equation of model C reduces to an interfacial constitutive law representing the attachment and emission kinetics of point defects at the void surface. In the limit of a high driving force associated with the void growth stage, a type C model reduces to a generalized one-sided Stefan problem with kinetic drag. In the limit of low driving forces characterizing the void coarsening stage, however, the model reduces to a generalized one-sided Mullins-Sekerka problem with kinetic drag. The analysis presented here paves the way for constructing quantitative phase field models for the irradiation-driven nucleation and growth of voids in crystalline solids by matching these models to a recently developed sharp interface theory.

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期刊介绍: Journal of Materials Science: Materials Theory publishes all areas of theoretical materials science and related computational methods. The scope covers mechanical, physical and chemical problems in metals and alloys, ceramics, polymers, functional and biological materials at all scales and addresses the structure, synthesis and properties of materials. Proposing novel theoretical concepts, models, and/or mathematical and computational formalisms to advance state-of-the-art technology is critical for submission to the Journal of Materials Science: Materials Theory. The journal highly encourages contributions focusing on data-driven research, materials informatics, and the integration of theory and data analysis as new ways to predict, design, and conceptualize materials behavior.
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