{"title":"原子氢和分子氢在SiO2中的迁移:分子动力学研究","authors":"A. Bongiorno, L. Colombo","doi":"10.1002/bbpc.199700030","DOIUrl":null,"url":null,"abstract":"<p>We present a theoretical investigation on diffusion of atomic and molecular hydrogen in crystalline as well as amorphous silicon dioxide by means of molecular dynamics simulations. We report a characterization of the migration process of atomic hydrogen in quartz and tridymite and we provide an atomistic description of the diffusion of both atomic and molecular hydrogen in silica.</p>","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 9","pages":"1229-1231"},"PeriodicalIF":0.0000,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700030","citationCount":"1","resultStr":"{\"title\":\"Migration of Atomic and Molecular Hydrogen in SiO2: A Molecular Dynamics Study\",\"authors\":\"A. Bongiorno, L. Colombo\",\"doi\":\"10.1002/bbpc.199700030\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>We present a theoretical investigation on diffusion of atomic and molecular hydrogen in crystalline as well as amorphous silicon dioxide by means of molecular dynamics simulations. We report a characterization of the migration process of atomic hydrogen in quartz and tridymite and we provide an atomistic description of the diffusion of both atomic and molecular hydrogen in silica.</p>\",\"PeriodicalId\":100156,\"journal\":{\"name\":\"Berichte der Bunsengesellschaft für physikalische Chemie\",\"volume\":\"101 9\",\"pages\":\"1229-1231\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2014-03-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1002/bbpc.199700030\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Berichte der Bunsengesellschaft für physikalische Chemie\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/bbpc.199700030\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Berichte der Bunsengesellschaft für physikalische Chemie","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/bbpc.199700030","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Migration of Atomic and Molecular Hydrogen in SiO2: A Molecular Dynamics Study
We present a theoretical investigation on diffusion of atomic and molecular hydrogen in crystalline as well as amorphous silicon dioxide by means of molecular dynamics simulations. We report a characterization of the migration process of atomic hydrogen in quartz and tridymite and we provide an atomistic description of the diffusion of both atomic and molecular hydrogen in silica.
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