从碰撞级联的主要损坏状态识别子级联

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-05-28 DOI:10.1088/1361-651x/ad4b4b
Utkarsh Bhardwaj and Manoj Warrier
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引用次数: 0

摘要

碰撞级联的形态是了解缺陷形成及其分布的一个重要方面。虽然子级联的数量是描述级联形态的基本参数,但计算这一参数的方法却很有限。我们提出了一种从碰撞级联的主要损伤状态计算子级联数量的方法。现有方法通过分析峰值损伤状态或弹道阶段结束来计算子级联的数量,而碰撞级联数据库中并不总是有这种数据。我们使用无监督机器学习领域的基于密度的聚类算法,从主损伤状态中识别出子级联。为了验证我们方法的结果,我们首先对现有算法进行了参数敏感性研究。研究表明,结果对输入参数和分析时间范围的选择很敏感。在一个包含 W 中 100 个碰撞级联的数据库中,我们发现我们提出的方法(通过分析主要损坏状态来预测子级联的数量)与现有的基于峰值状态的方法有很好的一致性。我们还表明,利用不同参数发现的子级联数量可以对时间演化和破碎程度相似的级联进行分类和分组。我们可以看到,随着子级联数量的增加,SIA 和空位的数量、簇中缺陷的百分比以及级联的体积都会减少。
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Identifying sub-cascades from the primary damage state of collision cascades
The morphology of a collision cascade is an important aspect in understanding the formation of defects and their distribution. While the number of sub-cascades is an essential parameter to describe the cascade morphology, the methods to compute this parameter are limited. We present a method to compute the number of sub-cascades from the primary damage state of the collision cascade. Existing methods analyze peak damage state or the end of ballistic phase to compute the number of sub-cascades which is not always available in collision cascade databases. We use density based clustering algorithm from unsupervised machine learning domain to identify the sub-cascades from the primary damage state. To validate the results of our method we first carry out a parameter sensitivity study of the existing algorithms. The study shows that the results are sensitive to input parameters and the choice of the time-frame analyzed. On a database of 100 collision cascades in W, we show that the method we propose, which analyzes primary damage state to predict number of sub-cascades, is in good agreement with the existing method that works on the peak state. We also show that the number of sub-cascades found with different parameters can be used to classify and group together the cascades that have similar time-evolution and fragmentation. It is seen that the number of SIA and vacancies, % defects in clusters and volume of the cascade, decrease with increase in the number of sub-cascades.
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来源期刊
CiteScore
3.30
自引率
5.60%
发文量
96
审稿时长
1.7 months
期刊介绍: Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation. Subject coverage: Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.
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