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Statistical analysis of the interaction between irradiation-induced defects and triple junctions
Advanced Modeling and Simulation in Engineering Sciences Pub Date : 2020-02-19 , DOI: 10.1186/s40323-020-0140-0
Patrick Zarnas , Rémi Dingreville , Brittany Muntifering , Khalid Hattar , Brad L. Boyce , Jianmin Qu

By using a generalized, spatially resolved rate theory, we systematically studied the irradiation-induced diffusion and segregation of point defects near triple junctions. Our model captured not only the formation, growth, and recombination of point defects but also the interaction of these defects with pre-existing defects. We coupled the stress field of the triple junction with defect diffusion via a modified chemical potential. The residual stress fields of grain boundaries and triple junctions are modeled via disclination mechanics theory. By assessing the behavior of 144 triple junctions with vacancy and interstitial defects, we correlated defect-sink efficiencies with key characteristics of triple junctions. For vacancies, the geometric configuration of triple junctions dominated sink efficiency, suggesting that equiaxed grains would resist the accumulation of vacancies more than elongated grains. For interstitials, the sink density of the grain boundaries composing the triple junctions dominated sink efficiency. Hence, the interstitial concentration may be managed by adjusting the structure of the grain boundaries. Overall, we illustrated the complex coupling between pre-existing defects and radiation-induced defects through interaction of their stress fields. This theoretical framework provides an efficient tool to rapidly assess defect management in microstructures.

中文翻译:

辐照引起的缺陷与三重结之间相互作用的统计分析

通过使用广义的空间分辨率理论,我们系统地研究了辐射诱导的三重结附近点缺陷的扩散和偏析。我们的模型不仅捕获了点缺陷的形成,生长和重组,还捕获了这些缺陷与先前存在的缺陷的相互作用。我们通过修改后的化学势将三重结的应力场与缺陷扩散耦合在一起。利用向错力学理论对晶界和三重结的残余应力场进行建模。通过评估144个具有空位和间隙缺陷的三重连接的行为,我们将缺陷吸收效率与三重连接的关键特征相关联。对于空位,三重结的几何构型主导着水槽效率,这表明等轴晶粒比长晶粒更能抵抗空位的积累。对于间隙,组成三重结的晶界的沉密度决定了沉效率。因此,可以通过调节晶界的结构来管理间隙浓度。总的来说,我们通过应力场的相互作用说明了先前存在的缺陷和辐射引起的缺陷之间的复杂耦合。该理论框架提供了一种有效的工具,可以快速评估微结构中的缺陷管理。间隙浓度可以通过调整晶界的结构来控制。总的来说,我们通过应力场的相互作用说明了先前存在的缺陷和辐射引起的缺陷之间的复杂耦合。该理论框架提供了一种有效的工具,可以快速评估微结构中的缺陷管理。间隙浓度可以通过调整晶界的结构来控制。总的来说,我们通过应力场的相互作用说明了先前存在的缺陷和辐射引起的缺陷之间的复杂耦合。该理论框架提供了一种有效的工具,可以快速评估微结构中的缺陷管理。
更新日期:2020-02-19
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