{"title":"计算机模拟矿物学-未来的观点","authors":"Y. Matsui","doi":"10.2465/GKK1952.17.253","DOIUrl":null,"url":null,"abstract":"Recent development in computer-aided “mineral physics” is briefly discussed on three ex-amples : non-empirical quantum mechanical calculation and elasticity-constrained cohesive energy minimization (WMIN) calculation on MgSi03 orthorhombic perovskite ; molecular dynamics (MD) calculation on dynamic structure in high-cristobalite ; and MD calculation on the hypothetical transition of Si02 from the fluorite structure to the α-PbO2 structure. It is hoped that this sort of approach will be accepted by the community of “traditional” mineralogists in Japan.","PeriodicalId":242743,"journal":{"name":"Journal of the Mineralogical Society of Japan","volume":"109 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computer Simulation in Mineralogy — A Futuristic View\",\"authors\":\"Y. Matsui\",\"doi\":\"10.2465/GKK1952.17.253\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Recent development in computer-aided “mineral physics” is briefly discussed on three ex-amples : non-empirical quantum mechanical calculation and elasticity-constrained cohesive energy minimization (WMIN) calculation on MgSi03 orthorhombic perovskite ; molecular dynamics (MD) calculation on dynamic structure in high-cristobalite ; and MD calculation on the hypothetical transition of Si02 from the fluorite structure to the α-PbO2 structure. It is hoped that this sort of approach will be accepted by the community of “traditional” mineralogists in Japan.\",\"PeriodicalId\":242743,\"journal\":{\"name\":\"Journal of the Mineralogical Society of Japan\",\"volume\":\"109 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1900-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Mineralogical Society of Japan\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2465/GKK1952.17.253\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Mineralogical Society of Japan","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2465/GKK1952.17.253","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Computer Simulation in Mineralogy — A Futuristic View
Recent development in computer-aided “mineral physics” is briefly discussed on three ex-amples : non-empirical quantum mechanical calculation and elasticity-constrained cohesive energy minimization (WMIN) calculation on MgSi03 orthorhombic perovskite ; molecular dynamics (MD) calculation on dynamic structure in high-cristobalite ; and MD calculation on the hypothetical transition of Si02 from the fluorite structure to the α-PbO2 structure. It is hoped that this sort of approach will be accepted by the community of “traditional” mineralogists in Japan.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
