Saeed Mehri , Mohamed A. Kolmangadi , Jeppe C. Dyre , Trond S. Ingebrigtsen
{"title":"盘状Gay-Berne模型各向同性相中的不变物理线","authors":"Saeed Mehri , Mohamed A. Kolmangadi , Jeppe C. Dyre , Trond S. Ingebrigtsen","doi":"10.1016/j.nocx.2022.100085","DOIUrl":null,"url":null,"abstract":"<div><p>The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the existence of isomorphs, which are curves of approximately invariant structure and dynamics. These properties are demonstrated to be approximately invariant in reduced units along the isomorph studied. The isomorph is described well by the constant density-scaling exponent 11.5, a number that is significantly larger than the density-scaling exponents of various Lennard-Jones models that are always below 6.</p></div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"14 ","pages":"Article 100085"},"PeriodicalIF":0.0000,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S259015912200005X/pdfft?md5=d6fe5ca34d71666bf0dda345cde7ef5d&pid=1-s2.0-S259015912200005X-main.pdf","citationCount":"3","resultStr":"{\"title\":\"Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model\",\"authors\":\"Saeed Mehri , Mohamed A. Kolmangadi , Jeppe C. Dyre , Trond S. Ingebrigtsen\",\"doi\":\"10.1016/j.nocx.2022.100085\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the existence of isomorphs, which are curves of approximately invariant structure and dynamics. These properties are demonstrated to be approximately invariant in reduced units along the isomorph studied. The isomorph is described well by the constant density-scaling exponent 11.5, a number that is significantly larger than the density-scaling exponents of various Lennard-Jones models that are always below 6.</p></div>\",\"PeriodicalId\":37132,\"journal\":{\"name\":\"Journal of Non-Crystalline Solids: X\",\"volume\":\"14 \",\"pages\":\"Article 100085\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S259015912200005X/pdfft?md5=d6fe5ca34d71666bf0dda345cde7ef5d&pid=1-s2.0-S259015912200005X-main.pdf\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Non-Crystalline Solids: X\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S259015912200005X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Physics and Astronomy\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Non-Crystalline Solids: X","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S259015912200005X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Physics and Astronomy","Score":null,"Total":0}
Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model
The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the existence of isomorphs, which are curves of approximately invariant structure and dynamics. These properties are demonstrated to be approximately invariant in reduced units along the isomorph studied. The isomorph is described well by the constant density-scaling exponent 11.5, a number that is significantly larger than the density-scaling exponents of various Lennard-Jones models that are always below 6.