{"title":"Geometry-originated universal relation for arbitrary convex hard particles.","authors":"Yuheng Yang, Duanduan Wan","doi":"10.1063/5.0281216","DOIUrl":null,"url":null,"abstract":"<p><p>We have discovered that two significant quantities within hard particle systems, the probability of successfully inserting an additional particle at random and the scale distribution function, can be connected by a concise relation. We anticipate that this relation holds universal applicability for convex hard particles. Our investigations encompassed a range of particle shapes, including one-dimensional line segments, two-dimensional disks, equilateral and non-equilateral triangles, squares, rectangles, and three-dimensional spheres. Remarkably, we have observed a close alignment between the two sides of the relation in all cases we examined. Furthermore, we show that this relation can be derived from the fundamental thermodynamic relation that connects entropy, pressure, and chemical potential. Our study unveils a geometrically rooted relation that underpins essential thermodynamic relations, shedding light on the intricate interplay of geometry and thermodynamics in hard particle systems.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"163 8","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0281216","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
We have discovered that two significant quantities within hard particle systems, the probability of successfully inserting an additional particle at random and the scale distribution function, can be connected by a concise relation. We anticipate that this relation holds universal applicability for convex hard particles. Our investigations encompassed a range of particle shapes, including one-dimensional line segments, two-dimensional disks, equilateral and non-equilateral triangles, squares, rectangles, and three-dimensional spheres. Remarkably, we have observed a close alignment between the two sides of the relation in all cases we examined. Furthermore, we show that this relation can be derived from the fundamental thermodynamic relation that connects entropy, pressure, and chemical potential. Our study unveils a geometrically rooted relation that underpins essential thermodynamic relations, shedding light on the intricate interplay of geometry and thermodynamics in hard particle systems.
期刊介绍:
The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
Topical coverage includes:
Theoretical Methods and Algorithms
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Atoms, Molecules, and Clusters
Liquids, Glasses, and Crystals
Surfaces, Interfaces, and Materials
Polymers and Soft Matter
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