{"title":"L12有序金属间化合物三元占位的模拟","authors":"Y.P. Wu, N.C. Tso, J.M. Sanchez, J.K. Tien","doi":"10.1016/0001-6160(89)90318-0","DOIUrl":null,"url":null,"abstract":"<div><p>The site preference of ternary additions in an A<sub>3</sub>B intermetallic compound with the L1<sub>2</sub> structure is modeled using the tetrahedron approximation of the Cluster Variation Method. At <em>T</em> = 0 K, there are three fundamental site preference behaviors for the ternary additions, depending on the relative magnitude of the effective pair interactions. It is found that the site preference of the ternary element is generally not related to the direction of the L1<sub>2</sub> solubility lobe. Our model also indicates that, under some conditions, the site preference can change with alloy composition and with temperature.</p></div>","PeriodicalId":6969,"journal":{"name":"Acta Metallurgica","volume":"37 10","pages":"Pages 2835-2840"},"PeriodicalIF":0.0000,"publicationDate":"1989-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0001-6160(89)90318-0","citationCount":"53","resultStr":"{\"title\":\"Modeling of ternary site occupation in L12 ordered intermetallics\",\"authors\":\"Y.P. Wu, N.C. Tso, J.M. Sanchez, J.K. Tien\",\"doi\":\"10.1016/0001-6160(89)90318-0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The site preference of ternary additions in an A<sub>3</sub>B intermetallic compound with the L1<sub>2</sub> structure is modeled using the tetrahedron approximation of the Cluster Variation Method. At <em>T</em> = 0 K, there are three fundamental site preference behaviors for the ternary additions, depending on the relative magnitude of the effective pair interactions. It is found that the site preference of the ternary element is generally not related to the direction of the L1<sub>2</sub> solubility lobe. Our model also indicates that, under some conditions, the site preference can change with alloy composition and with temperature.</p></div>\",\"PeriodicalId\":6969,\"journal\":{\"name\":\"Acta Metallurgica\",\"volume\":\"37 10\",\"pages\":\"Pages 2835-2840\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1989-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0001-6160(89)90318-0\",\"citationCount\":\"53\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Metallurgica\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0001616089903180\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Metallurgica","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0001616089903180","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Modeling of ternary site occupation in L12 ordered intermetallics
The site preference of ternary additions in an A3B intermetallic compound with the L12 structure is modeled using the tetrahedron approximation of the Cluster Variation Method. At T = 0 K, there are three fundamental site preference behaviors for the ternary additions, depending on the relative magnitude of the effective pair interactions. It is found that the site preference of the ternary element is generally not related to the direction of the L12 solubility lobe. Our model also indicates that, under some conditions, the site preference can change with alloy composition and with temperature.
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