Graph theory based approach to characterize self interstitial defect morphology
نویسندگان
چکیده
The defect morphology is an essential aspect of the evolution crystals' microstructure and its response to stress. Existing methods either only report concentration or characterize some morphologies. need for efficient comprehensive algorithm study defects becoming more evident with increase in amount simulation data improvements data-driven algorithms. We present a method defect's precisely by reducing problem into graph theoretical concepts finding connected components cycles. can identify different homogenous within cluster having mixed morphology. apply classify morphologies over thousand point clusters formed high energy W collision cascades. highlight our method's comparative advantage completeness, computational speed, quantitative details.
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2021
ISSN: ['1879-0801', '0927-0256']
DOI: https://doi.org/10.1016/j.commatsci.2021.110474