Application of machine learning in understanding the irradiation damage mechanism of high-entropy materials

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21 Scopus Citations
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Detail(s)

Original languageEnglish
Article number153462
Journal / PublicationJournal of Nuclear Materials
Volume559
Online published5 Dec 2021
Publication statusPublished - Feb 2022

Abstract

The concept of high entropy materials (HEMs) provides a fertile ground for developing novel irradiation-resistant structural materials. In HEMs, the vast and complicated configurational space induced by extreme disorder poses grant challenges to understanding defect dynamics and evolution. Machine learning (ML) techniques, which can exploit implicit relationships between diverse descriptors and observations, exhibit great potential in uncovering the governing factors for irradiation damage and modeling local environment dependence of defect dynamics. Herein, three applications of ML in understanding radiation damage in HEMs are summarized and discussed, including ML-based irradiation response prediction, ML-based interatomic potential development, and ML-informed defect evolution.

Research Area(s)

  • defect evolution, high-entropy materials, Irradiation damage, kinetic Monte Carlo, Machine Learning, Multi-scale simulation