{"title":"Atomic transport coefficients of liquid 3d transition metals: insights from local field corrections","authors":"Addreta Romman, Utshob Bhattacharjee, R. C. Gosh","doi":"10.1007/s00339-025-08904-1","DOIUrl":null,"url":null,"abstract":"<div><p>The influence of local field correction functions (LFCFs) within the pseudopotential formalism on the atomic transport of Liquid 3<i>d</i> transition metals has been studied using hard sphere (HS) theories and universal scaling laws (USLs). We have chosen Bretonnet-Silbert (BS) pseudopotential model with 5 distinct LFCFs proposed by Ichimaru-Utsumi (IU), Vashishta-Singwi (VS), Sarkar et al. (S), Taylor (T) and Farid et al. (F) for variation of effective interionic interaction. Effective HS diameter and excess entropy are basic ingredients of this study which have been determined employing variational modified hypernetted chain integral equation theory along with BS model. Calculated results using USLs are found to be more sensitive to applied LFCFs than those obtained by HS theories. Comparing with available studies, this study shows that HS theories provide more reliable results than USLs. For USLs, S-LFCF provides better results than other LFCFs for most of the systems examined.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 11","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Physics A","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1007/s00339-025-08904-1","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The influence of local field correction functions (LFCFs) within the pseudopotential formalism on the atomic transport of Liquid 3d transition metals has been studied using hard sphere (HS) theories and universal scaling laws (USLs). We have chosen Bretonnet-Silbert (BS) pseudopotential model with 5 distinct LFCFs proposed by Ichimaru-Utsumi (IU), Vashishta-Singwi (VS), Sarkar et al. (S), Taylor (T) and Farid et al. (F) for variation of effective interionic interaction. Effective HS diameter and excess entropy are basic ingredients of this study which have been determined employing variational modified hypernetted chain integral equation theory along with BS model. Calculated results using USLs are found to be more sensitive to applied LFCFs than those obtained by HS theories. Comparing with available studies, this study shows that HS theories provide more reliable results than USLs. For USLs, S-LFCF provides better results than other LFCFs for most of the systems examined.
期刊介绍：
Applied Physics A publishes experimental and theoretical investigations in applied physics as regular articles, rapid communications, and invited papers. The distinguished 30-member Board of Editors reflects the interdisciplinary approach of the journal and ensures the highest quality of peer review.
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