原子氢和分子氢在SiO2中的迁移:分子动力学研究

A. Bongiorno, L. Colombo
{"title":"原子氢和分子氢在SiO2中的迁移:分子动力学研究","authors":"A. Bongiorno,&nbsp;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,&nbsp;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}
引用次数: 1

摘要

本文用分子动力学模拟的方法对原子氢和分子氢在结晶和非晶二氧化硅中的扩散进行了理论研究。我们报道了原子氢在石英和钇铝石中的迁移过程的表征,并提供了原子氢和分子氢在二氧化硅中的扩散的原子描述。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信