Phase-field modeling of void migration and growth kinetics in materials under irradiation and temperature field
Phase-field modeling of void migration and growth kinetics in materials under irradiation and temperature field
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DOI：
10.1016/j.jnucmat.2010.09.048
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发表时间：
2010-12
影响因子：
3.1
通讯作者：
Yulan Li;Shenyang Hu;Xin Sun;F. Gao;C. Henager;M. Khaleel
中科院分区：
文献类型：
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作者：
Yulan Li;Shenyang Hu;Xin Sun;F. Gao;C. Henager;M. Khaleel
开发了相场模型来研究热梯度辐照期间空位、间隙和空隙的迁移。还对辐照期间的空洞生长动力学进行了建模。该模型考虑了缺陷的产生，包括与辐射损伤相关的空位和填隙、空位和填隙的重组、缺陷扩散和缺陷汇。参数化研究了空穴尺寸、空位浓度、空位生成速率、复合速率和温度梯度对单个空穴迁移和生长的影响。结果表明，温度梯度会导致空洞迁移和缺陷通量，即索雷特效应，从而影响空洞稳定性和生长动力学。研究发现：（1）空洞迁移迁移率与空洞尺寸无关，这与体扩散控制迁移假设下的理论预测一致； (2) 空洞迁移迁移率很大程度上取决于温度梯度；(3) 缺陷浓度、生成速率和复合率对空洞迁移迁移率的影响很小，尽管它们强烈影响空洞生长动力学。
A phase-field model is developed to investigate the migration of vacancies, interstitials, and voids during irradiation in a thermal gradient. Void growth kinetics during irradiation are also modeled. The model accounts for the generation of defects including vacancies and interstitials associated with the radiation damage, recombination of vacancies and interstitials, defect diffusion, and defect sinks. The effect of void size, vacancy concentration, vacancy generation rate, recombination rate, and temperature gradient on a single void migration and growth is parametrically studied. The results demonstrate that a temperature gradient causes void migration and defect fluxes, i.e., the Soret effect, which affects void stability and growth kinetics. It is found that (1) void migration mobility is independent of void size, which is in agreement with the theoretical prediction under the assumption of bulk diffusion controlled migration; (2) void migration mobility strongly depends on the temperature gradient and (3) the effect of defect concentration, generation rate, and recombination rate on void migration mobility is minor although they strongly influence void growth kinetics.