{"title":"模型玻璃中双阱势和弛豫过程的性质","authors":"F. Demichelis, G. Viliani, G. Ruocco","doi":"10.1039/A901889A","DOIUrl":null,"url":null,"abstract":"We use computer simulation to investigate the topology of the potential energy V({R}) and to search for double well potentials (DWPs) in a model glass. By a sequence of newtonian and dissipative dynamics we find different minima of V({R}) and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWPs are correlated. Moreover, the trajectory of the system in the 3N-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic dynamics.","PeriodicalId":20106,"journal":{"name":"PhysChemComm","volume":"112 1","pages":"20-23"},"PeriodicalIF":0.0000,"publicationDate":"1999-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":"{\"title\":\"Properties of the double well potential and relaxation processes in a model glass\",\"authors\":\"F. Demichelis, G. Viliani, G. Ruocco\",\"doi\":\"10.1039/A901889A\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We use computer simulation to investigate the topology of the potential energy V({R}) and to search for double well potentials (DWPs) in a model glass. By a sequence of newtonian and dissipative dynamics we find different minima of V({R}) and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWPs are correlated. Moreover, the trajectory of the system in the 3N-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic dynamics.\",\"PeriodicalId\":20106,\"journal\":{\"name\":\"PhysChemComm\",\"volume\":\"112 1\",\"pages\":\"20-23\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1999-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"4\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"PhysChemComm\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1039/A901889A\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"PhysChemComm","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1039/A901889A","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Properties of the double well potential and relaxation processes in a model glass
We use computer simulation to investigate the topology of the potential energy V({R}) and to search for double well potentials (DWPs) in a model glass. By a sequence of newtonian and dissipative dynamics we find different minima of V({R}) and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWPs are correlated. Moreover, the trajectory of the system in the 3N-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic dynamics.