论文标题
来自不同原子间潜能的SIA缺陷形态的比较W
Comparison of SIA Defect Morphologies from Different Interatomic Potentials for Collision Cascades in W
论文作者
论文摘要
在碰撞级联反应中形成的缺陷的形态是随后的微观结构演变的重要方面。缺陷的形态组成决定了其稳定性，相互作用和迁移特性。我们比较了使用W中使用三个不同的原子间电位模拟的高能量碰撞级联反应造成的主要辐射损伤中的缺陷形态。使用了一种自动化方法来识别缺陷的形态。虽然大多数缺陷形成1/2 \ 3位错环，但其他特定的形态包括\ 1位错环，多个环聚集在一起的环，与C15构型及其组成结构相对应的环以及环和错位的组合。该分析量化了不同形态之间缺陷的分布和每个形态的大小分布。我们表明，关于缺陷形态的不同电位的预测之间的分歧要比预测缺陷数量的差异要强得多。
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.
