A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials（综述：相场法在辐射核材料微观结构和性能演化预测中的应用）
Yulan Li, Shenyang Hu, Xin Sun & Marius Stan
npj Computational Materials 3, Article number: 16 (2017)
doi:10.1038/s41524-017-0018-y
Published online:14 April 2017
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摘要：核材料引起的强烈辐射和高温极端环境将使其自身和核燃料和结构材料发生复杂的微观结构变化。本文评价了相场法在预测辐射下核材料微结构演化方面的作用，以及在预测微结构演化对材料力学性能、热性能和磁性能影响方面的作用。首先概述了缺陷演化的重要物理机制，以及辐射下核材料微观结构演化模拟所存在的显着差距。然后介绍了有强大预测功能的相场法，并综述了该方法在放射核材料微结构和性能演变方面的应用。针对这些内容的回顾分析表明：（1）相场模型可以正确描述诸如与空间位置关联的生成、迁移、缺陷重组、辐射诱导的溶解、Soret效应、强界面能各向异性、弹性相互作用等重要现象；（2）相场法可以定性和定量地模拟2D和3D微结构演化，包括辐射诱导的偏析、第二相成核、空隙迁移、空泡和气泡超晶格形成、间质环演化、水合物形成和晶粒生长；（3）相场法可正确预测微观结构与其性质之间的关系。本文最后专门讨论了相场法在应用于核材料辐射效应方面的优点和局限性。该文近期发表于npj Computational Materials 3, Article number: 16 (2017)；doi:10.1038/s41524-017-0018-y 　

Abstract: Complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiated nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.