{"title":"用于对具有短程相互作用的超流星体进行蒙特卡罗模拟的表势垒。","authors":"Harold W Hatch, Gordon W McCann","doi":"10.6028/jres.124.032","DOIUrl":null,"url":null,"abstract":"<p><p>We describe a methodology for constructing tabular potentials of supertoroids with short-range interactions, which requires the calculation of the volume of overlap of these shapes for many relative positions and orientations. Recent advances in the synthesis of anisotropic colloids have made experimental realizations of such particles feasible and have increased the practical impact of fundamental simulation studies of these families of shapes. This extends our recent work on superquadric potentials to now include a family of ring-like shapes with a hole in the middle. Along with the addition of supertoroids, the ability to make tables for nonidentical particles and particle pairs with multiple, disconnected overlap volumes was added. Using newly developed extensions to a previously published algorithm, we produced tabular potentials for all of these new cases. The algorithmic developments in this work will enable Monte Carlo simulations of a wider variety of shapes to predict thermodynamic properties over a range of conditions.</p>","PeriodicalId":54766,"journal":{"name":"Journal of Research of the National Institute of Standards and Technology","volume":"124 ","pages":"1-11"},"PeriodicalIF":1.3000,"publicationDate":"2019-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7351571/pdf/jres-124-032.pdf","citationCount":"0","resultStr":"{\"title\":\"Tabular Potentials for Monte Carlo Simulation of Supertoroids with Short-Range Interactions.\",\"authors\":\"Harold W Hatch, Gordon W McCann\",\"doi\":\"10.6028/jres.124.032\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>We describe a methodology for constructing tabular potentials of supertoroids with short-range interactions, which requires the calculation of the volume of overlap of these shapes for many relative positions and orientations. Recent advances in the synthesis of anisotropic colloids have made experimental realizations of such particles feasible and have increased the practical impact of fundamental simulation studies of these families of shapes. This extends our recent work on superquadric potentials to now include a family of ring-like shapes with a hole in the middle. Along with the addition of supertoroids, the ability to make tables for nonidentical particles and particle pairs with multiple, disconnected overlap volumes was added. Using newly developed extensions to a previously published algorithm, we produced tabular potentials for all of these new cases. The algorithmic developments in this work will enable Monte Carlo simulations of a wider variety of shapes to predict thermodynamic properties over a range of conditions.</p>\",\"PeriodicalId\":54766,\"journal\":{\"name\":\"Journal of Research of the National Institute of Standards and Technology\",\"volume\":\"124 \",\"pages\":\"1-11\"},\"PeriodicalIF\":1.3000,\"publicationDate\":\"2019-12-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7351571/pdf/jres-124-032.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Research of the National Institute of Standards and Technology\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.6028/jres.124.032\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2019/1/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"Q3\",\"JCRName\":\"INSTRUMENTS & INSTRUMENTATION\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Research of the National Institute of Standards and Technology","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.6028/jres.124.032","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2019/1/1 0:00:00","PubModel":"eCollection","JCR":"Q3","JCRName":"INSTRUMENTS & INSTRUMENTATION","Score":null,"Total":0}
Tabular Potentials for Monte Carlo Simulation of Supertoroids with Short-Range Interactions.
We describe a methodology for constructing tabular potentials of supertoroids with short-range interactions, which requires the calculation of the volume of overlap of these shapes for many relative positions and orientations. Recent advances in the synthesis of anisotropic colloids have made experimental realizations of such particles feasible and have increased the practical impact of fundamental simulation studies of these families of shapes. This extends our recent work on superquadric potentials to now include a family of ring-like shapes with a hole in the middle. Along with the addition of supertoroids, the ability to make tables for nonidentical particles and particle pairs with multiple, disconnected overlap volumes was added. Using newly developed extensions to a previously published algorithm, we produced tabular potentials for all of these new cases. The algorithmic developments in this work will enable Monte Carlo simulations of a wider variety of shapes to predict thermodynamic properties over a range of conditions.
期刊介绍:
The Journal of Research of the National Institute of Standards and Technology is the flagship publication of the National Institute of Standards and Technology. It has been published under various titles and forms since 1904, with its roots as Scientific Papers issued as the Bulletin of the Bureau of Standards.
In 1928, the Scientific Papers were combined with Technologic Papers, which reported results of investigations of material and methods of testing. This new publication was titled the Bureau of Standards Journal of Research.
The Journal of Research of NIST reports NIST research and development in metrology and related fields of physical science, engineering, applied mathematics, statistics, biotechnology, information technology.