A review of displacement cascade simulations using molecular dynamics emphasizing interatomic potentials for TPBAR components

被引：0

作者：

Roy, Ankit ^{[1
]}

Nandipati, Giridhar ^{[1
]}

Casella, Andrew M. ^{[1
]}

Senor, David J. ^{[1
]}

Devanathan, Ram ^{[1
]}

Soulami, Ayoub ^{[1
]}

机构：

[1] Pacific Northwest Natl Lab, Richland, WA 99354 USA

来源：

NPJ MATERIALS DEGRADATION | 2025年 / 9卷 / 01期

关键词：

PRIMARY RADIATION-DAMAGE; EMBEDDED-ATOM-METHOD; DEFECT PRODUCTION; COMPUTER-SIMULATION; GRAIN-BOUNDARIES; ALPHA-ZIRCONIUM; ATOMISTIC SIMULATION; FE-CR; ENERGY; DIFFUSION;

D O I：

10.1038/s41529-024-00536-9

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This review explores molecular dynamics simulations for studying radiation damage in Tritium Producing Burnable Absorber Rod (TPBAR) materials, emphasizing the role of interatomic potentials in displacement cascades. Recent machine learning potentials (MLPs), trained on quantum data, enhance prediction accuracy over traditional models like EAM. We highlight temperature, PKA energy, and composition effects on damage evolution in TPBAR components, recommending suitable potentials and discussing advancements for materials in extreme radiation environments.

引用

页数：18

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