Modification on theory of sink strength: An Object Kinetic Monte Carlo study
Modification on theory of sink strength: An Object Kinetic Monte Carlo study
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下沉强度理论的修正：物体动力学蒙特卡罗研究
DOI：
10.1016/j.commatsci.2016.06.024
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发表时间：
2016
影响因子：
3.3
通讯作者：
Luo G. -N.
中科院分区：
文献类型：
--
作者：
Hou Jie;Kong Xiang-Shan;Li Xiang-Yan;Wu Xuebang;Liu C. S.;Chen Jun-Ling;Luo G. -N.
下沉强度是用平均场方法模拟辐照材料微结构演化的一个基本量。不同汇的解析表达式已被广泛研究。随后进行了物体动力学蒙特卡罗（OKMC）模拟，以证实表达式，并指导分析理论的发展。虽然理论和模拟结果基本一致，但在小球形汇和位错线的情况下仍存在一些差异。在这项工作中，OKMC模拟进行了研究的球形汇和位错线的下沉强度。我们的结果揭示了理论和模拟之间的差异的小水槽，高体积分数的水槽和周期性分布的位错线的起源。并提出了相应的理论修正。这些修正可以扩展平均场方法的能力，以正确地再现辐照材料的缺陷演化，并提供了一个更好的洞察实验现象，如缺陷团成核，辐照诱导的肿胀和起泡。
Sink strength is a fundamental quantity in modeling the microstructure evolution of irradiated materials by the mean-field approaches. The analytical expressions for different sinks have been extensively studied. The Object Kinetic Monte Carlo (OKMC) simulations were subsequently performed to corroborate the expressions and to guide the development of analytical theories. Although a general agreement was found between the theory and simulation, there are still some discrepancies in the case of the small spherical sinks and the dislocation lines. In this work, OKMC simulations were performed to study the sink strength of spherical sinks and dislocation lines. Our results revealed the origins of discrepancies between the theory and simulation for small sinks, high volume fraction sinks and periodically distributed dislocation lines. The theoretical corrections were also proposed accordingly. These corrections can extend the capabilities of mean-field approaches to properly reproduce the defect evolution of irradiated materials, and provide a better insight into the experimental phenomena, such as the defect cluster nucleation, the irradiation-induced swelling and the blistering.