{"title":"Identifying sub-cascades from the primary damage state of collision cascades","authors":"Utkarsh Bhardwaj and Manoj Warrier","doi":"10.1088/1361-651x/ad4b4b","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":18648,"journal":{"name":"Modelling and Simulation in Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.9000,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Modelling and Simulation in Materials Science and Engineering","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1088/1361-651x/ad4b4b","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.