首页|Molecular Dynamics Simulations of Displacement Cascade in Ni-Based Concentrated Solid Solution Alloys

Molecular Dynamics Simulations of Displacement Cascade in Ni-Based Concentrated Solid Solution Alloys

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Single-phase concentrated solid solution alloys(SP-CSAs),including high-entropy alloys,have received extensive attention due to their excellent irradiation resistance.In this work,displacement cascade simulations are conducted using the molecular dynamics method to study the evolution of defects in Ni-based SP-CSAs.Compared with pure Ni,the NiCr,NiCo,and NiCu alloys exhibit a larger number of Frankel pairs(FPs)in the thermal peak stage,but a smaller number of surviving FPs.However,the NiFe alloy displays the opposite phenomenon.To explain these different observations for NiFe and other alloys,the formation energy and migration energy of interstitials/vacancies are calculated.In the NiFe alloy,both the formation energy and migration energy barrier are higher.On the other hand,in NiCr and other alloys,the formation energy of interstitials/vacancies is lower,as is the migration energy barrier of interstitials.The energy analysis agrees well with previous observations.The present work provides new insights into the mechanism behind the irradiation resistance of binary Ni-based SP-CSAs.

Molecular dynamics simulationDisplacement cascadePoint defectNi-based concentrated solid solution alloys

Chaoquan Zhao、Rongxuan Xie、Chuanlong Xu、Xiaobao Tian、Qingyuan Wang、Wentao Jiang、Haidong Fan

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Department of Mechanics,Sichuan University,Chengdu 610065,China

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaFoundation of Key laboratorySichuan Province Science and Technology ProjectSichuan Province Science and Technology Project

12232008120722112022JCJQLB057032023NSFSC09142020JDJQ0029

2024

10.1007/s10338-023-00445-5

固体力学学报(英文版)
中国力学学会

固体力学学报(英文版)

EI
影响因子：0.214
ISSN：0894-9166
年,卷(期)：2024.37(1)
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