Geometry-originated universal relation for arbitrary convex hard particles.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Yuheng Yang, Duanduan Wan
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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.

任意凸硬粒子的几何起源普适关系。
我们发现硬粒子系统中的两个重要量,即随机成功插入一个额外粒子的概率和尺度分布函数,可以用一个简洁的关系联系起来。我们预期这个关系对凸硬粒子具有普遍的适用性。我们的研究涵盖了一系列的粒子形状,包括一维线段、二维圆盘、等边和非等边三角形、正方形、矩形和三维球体。值得注意的是,我们观察到,在我们所研究的所有情况下,关系的两个方面都密切一致。此外,我们还表明,这种关系可以从连接熵、压力和化学势的基本热力学关系中推导出来。我们的研究揭示了支撑基本热力学关系的几何根源关系,揭示了硬粒子系统中几何和热力学的复杂相互作用。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
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 Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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