{"title":"级联损伤过程的分子动力学计算","authors":"H. Qadr","doi":"10.35219/mms.2020.4.02","DOIUrl":null,"url":null,"abstract":"In this work, Molecular dynamics simulation was performed to study the cascade damage evaluation initial from a 250 eV Primary Knock-on Atoms (PKAs) in gold. For this purpose, the simulations were carried out using the molecular dynamics code GRAPE to study the cooling phase of a cascade from the thermodynamic point view. Interatomic interaction of the cascade was investigated by the Morse potential and it is found that during the cooling phase of the cascade local equilibrium was realized.","PeriodicalId":22358,"journal":{"name":"The Annals of “Dunarea de Jos” University of Galati. Fascicle IX, Metallurgy and Materials Science","volume":"32 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2020-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"6","resultStr":"{\"title\":\"A molecular dynamics calculation to cascade damage processes\",\"authors\":\"H. Qadr\",\"doi\":\"10.35219/mms.2020.4.02\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this work, Molecular dynamics simulation was performed to study the cascade damage evaluation initial from a 250 eV Primary Knock-on Atoms (PKAs) in gold. For this purpose, the simulations were carried out using the molecular dynamics code GRAPE to study the cooling phase of a cascade from the thermodynamic point view. Interatomic interaction of the cascade was investigated by the Morse potential and it is found that during the cooling phase of the cascade local equilibrium was realized.\",\"PeriodicalId\":22358,\"journal\":{\"name\":\"The Annals of “Dunarea de Jos” University of Galati. Fascicle IX, Metallurgy and Materials Science\",\"volume\":\"32 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2020-12-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"6\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Annals of “Dunarea de Jos” University of Galati. Fascicle IX, Metallurgy and Materials Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.35219/mms.2020.4.02\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Annals of “Dunarea de Jos” University of Galati. Fascicle IX, Metallurgy and Materials Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.35219/mms.2020.4.02","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
A molecular dynamics calculation to cascade damage processes
In this work, Molecular dynamics simulation was performed to study the cascade damage evaluation initial from a 250 eV Primary Knock-on Atoms (PKAs) in gold. For this purpose, the simulations were carried out using the molecular dynamics code GRAPE to study the cooling phase of a cascade from the thermodynamic point view. Interatomic interaction of the cascade was investigated by the Morse potential and it is found that during the cooling phase of the cascade local equilibrium was realized.