Wenhua Li , Wahyu Setyawan , Fei Gao , Xuelin Wang , Ning Gao
{"title":"Effects of dislocation network on radiation damage in iron investigated by molecular dynamics method","authors":"Wenhua Li , Wahyu Setyawan , Fei Gao , Xuelin Wang , Ning Gao","doi":"10.1016/j.scriptamat.2025.116863","DOIUrl":null,"url":null,"abstract":"<div><div>Effects of dislocation networks on the evolution of displacement cascades and related mechanical properties and void swelling in BCC-Fe are investigated at atomic scale through molecular dynamics simulations. An atomistic model containing dislocation networks is built based on a coupled method developed in this work. Formation of more sub-cascades, strong biased absorption of interstitials, formation of more vacancies, and existence of pinned 1/2<111> interstitial loops are explored, which may be induced by inhomogeneous stress fields and related changes of dislocation network-defect interactions. The ultimate tensile and shear stresses of the dislocation network model are only slightly affected by multiple cascades, while void swelling is higher than that obtained in a perfect lattice under the same conditions. Thus, the effects of dislocation networks provide new understanding for some experimental results and should be considered in meso/macro-scale simulations to obtain more reliable results.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"268 ","pages":"Article 116863"},"PeriodicalIF":5.3000,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scripta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359646225003264","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Effects of dislocation networks on the evolution of displacement cascades and related mechanical properties and void swelling in BCC-Fe are investigated at atomic scale through molecular dynamics simulations. An atomistic model containing dislocation networks is built based on a coupled method developed in this work. Formation of more sub-cascades, strong biased absorption of interstitials, formation of more vacancies, and existence of pinned 1/2<111> interstitial loops are explored, which may be induced by inhomogeneous stress fields and related changes of dislocation network-defect interactions. The ultimate tensile and shear stresses of the dislocation network model are only slightly affected by multiple cascades, while void swelling is higher than that obtained in a perfect lattice under the same conditions. Thus, the effects of dislocation networks provide new understanding for some experimental results and should be considered in meso/macro-scale simulations to obtain more reliable results.
期刊介绍:
Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.