论文标题
基于图理论的方法来表征自界缺陷形态
Graph Theory Based Approach to Characterize Self Interstitial Defect Morphology
论文作者
论文摘要
缺陷形态是晶体微结构演变及其对压力的反应的重要方面。现有方法仅报告缺陷浓度或仅表征某些缺陷形态。随着模拟数据量的增加和数据驱动算法的改善，需要有效，全面研究缺陷的算法的需求变得越来越明显。 我们提出了一种通过将问题减少到查找连接组件和周期的理论概念中，以精确表征缺陷的形态的方法。该算法可以在具有混合形态的缺陷簇中识别不同的同质成分。我们应用方法将高能W碰撞级联的一千多点缺陷簇分类。我们强调了我们方法的完整性，计算速度和定量细节的比较优势。
The defect morphology is an essential aspect of the evolution of crystals' microstructure and its response to stress. Existing methods either only report defect concentration or characterize only some of the defect morphologies. The need for an efficient and comprehensive algorithm to study defects is becoming more evident with the increase in the amount of simulation data and improvements in data-driven algorithms. We present a method to characterize a defect's morphology precisely by reducing the problem into graph theoretical concepts of finding connected components and cycles. The algorithm can identify the different homogenous components within a defect cluster having mixed morphology. We apply the method to classify morphologies of over a thousand point defect clusters formed in high energy W collision cascades. We highlight our method's comparative advantage for its completeness, computational speed, and quantitative details.
