邻位三联苯液体中的斯托克斯-爱因斯坦-德贝关系

Gan Ren
{"title":"邻位三联苯液体中的斯托克斯-爱因斯坦-德贝关系","authors":"Gan Ren","doi":"10.1088/1572-9494/ad321f","DOIUrl":null,"url":null,"abstract":"\n The Stokes-Einstein-Debye (SED) relation is proposed to be breakdown in supercooled liquids by many studies. However, the conclusions are usually drawn by testing some variants of the SED relation rather than its original formula. In this work, the rationality of the SED relation and its variants is examined by performing molecular dynamics simulations with the Lewis-Wahnstrom model of ortho-terphenyl (OTP). The results indicate the original SED relation is valid for OTP but the three variants are all breakdown. The inconsistency between SED relation and its variants is analyzed from the heterogeneous dynamics, the adopted assumptions and approximations as well as the interactions among molecules. Therefore, care should be taken when employing the variants to judge the validity of the SED relation in supercooled liquids.","PeriodicalId":508917,"journal":{"name":"Communications in Theoretical Physics","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The Stokes-Einstein-Debye relation in ortho-terphenyl liquid\",\"authors\":\"Gan Ren\",\"doi\":\"10.1088/1572-9494/ad321f\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n The Stokes-Einstein-Debye (SED) relation is proposed to be breakdown in supercooled liquids by many studies. However, the conclusions are usually drawn by testing some variants of the SED relation rather than its original formula. In this work, the rationality of the SED relation and its variants is examined by performing molecular dynamics simulations with the Lewis-Wahnstrom model of ortho-terphenyl (OTP). The results indicate the original SED relation is valid for OTP but the three variants are all breakdown. The inconsistency between SED relation and its variants is analyzed from the heterogeneous dynamics, the adopted assumptions and approximations as well as the interactions among molecules. Therefore, care should be taken when employing the variants to judge the validity of the SED relation in supercooled liquids.\",\"PeriodicalId\":508917,\"journal\":{\"name\":\"Communications in Theoretical Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-03-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Communications in Theoretical Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1088/1572-9494/ad321f\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Communications in Theoretical Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1088/1572-9494/ad321f","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

许多研究都提出了斯托克斯-爱因斯坦-德贝(SED)关系在过冷液体中的分解。然而,这些结论通常是通过测试 SED 关系的一些变体而不是其原始公式得出的。在这项工作中,通过对原三联苯(OTP)的 Lewis-Wahnstrom 模型进行分子动力学模拟,检验了 SED 关系及其变体的合理性。结果表明,原始 SED 关系对 OTP 是有效的,但三种变体都是失效的。SED 关系及其变体之间的不一致是从异质动力学、所采用的假设和近似以及分子间的相互作用等方面进行分析的。因此,在使用这些变体来判断 SED 关系在过冷液体中的有效性时应小心谨慎。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The Stokes-Einstein-Debye relation in ortho-terphenyl liquid
The Stokes-Einstein-Debye (SED) relation is proposed to be breakdown in supercooled liquids by many studies. However, the conclusions are usually drawn by testing some variants of the SED relation rather than its original formula. In this work, the rationality of the SED relation and its variants is examined by performing molecular dynamics simulations with the Lewis-Wahnstrom model of ortho-terphenyl (OTP). The results indicate the original SED relation is valid for OTP but the three variants are all breakdown. The inconsistency between SED relation and its variants is analyzed from the heterogeneous dynamics, the adopted assumptions and approximations as well as the interactions among molecules. Therefore, care should be taken when employing the variants to judge the validity of the SED relation in supercooled liquids.
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