{"title":"Surface Energy Calculation of Face Centered Cubic Lattice Metals","authors":"Yasuhisa Urano, F. Noguchi, H. Miura","doi":"10.2477/JCHEMSOFT.3.91","DOIUrl":null,"url":null,"abstract":"パソコンを用いて、面心立方格子金属の各種結晶面の挿入原子法による表面エネルギーの計算を行い、文献値と比較した。また、金及び白金の (110) 2×1再構成表面の計算において、今回用いた挿入原子法のパラメータで、エネルギー的に安定になることを確認した。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"35 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1996-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Software","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2477/JCHEMSOFT.3.91","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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