钨中碰撞级联在不同原子间势下的SIA缺陷形态比较
Comparison of SIA Defect Morphologies from Different Interatomic Potentials for Collision Cascades in W
AI总结：
针对钨中高能碰撞级联，本文用自动识别方法比较三种原子间势预测的SIA缺陷形态与尺寸分布，发现形态预测差异显著大于缺陷数量差异。
摘要：
碰撞级联中形成的缺陷形态是后续微观结构演化的一个重要方面。缺陷的形态组成决定其稳定性、相互作用和迁移特性。我们比较了在W中使用三种不同原子间势模拟的高能碰撞级联所产生的初级辐照损伤中的缺陷形态。研究采用了一种自动识别缺陷形态的方法。虽然大多数缺陷形成1/2⟨111⟩位错环，但其他特定形态包括⟨100⟩位错环、聚集在一起的多个环、对应于C15构型及其组成结构的环，以及环与位错的组合。该分析量化了缺陷在不同形态之间的分布以及每种形态的尺寸分布。我们表明，不同势在缺陷形态预测方面的分歧远强于其在预测缺陷数量上的差异。
英文摘要：
The morphology of defects formed in collision cascades is an essential aspect of the subsequent evolution of the microstructure. The morphological composition of a defect decides its stability, interaction, and migration properties. We compare the defect morphologies in the primary radiation damage caused by high energy collision cascades simulated using three different interatomic potentials in W. An automated method to identify morphologies of defects is used. While most defects form 1/2\3 dislocation loops, other specific morphologies include \1 dislocation loops, multiple loops clustered together, rings corresponding to C15 configuration and its constituent structures, and a combination of rings and dislocations. The analysis quantifies the distribution of defects among different morphologies and the size distribution of each morphology. We show that the disagreement between predictions of the different potentials regarding defect morphology is much stronger than the differences in predicted defect numbers.
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