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A fast and accurate grid-based method with low memory requirement is presented to calculate volume characteristics in molecular systems. The distribution of volume and packing density is characterized in globular proteins, where void space…

Biological Physics · Physics 2018-10-23 Jenny Farmer , Sheridan B. Green , Donald J. Jacobs

We study the size estimate problem for the two-phase shallow shell equations in this paper. Our aim is to derive bounds on the volume fraction of each phase assuming that the material properties of the two phases are given. The approach in…

Analysis of PDEs · Mathematics 2012-04-24 Hyeonbae Kang , Graeme W. Milton , Jenn-Nan Wang

For a gas confined in a container, particle-wall interactions produce modifications to the partition function involving the average surface density of gas particles. While such correlations have a vanishing effect in the thermodynamic…

Classical Physics · Physics 2026-03-04 Prabal Adhikari , Brian Tiburzi , Sona Baghiyan

We study the packing fraction of clusters in free-falling streams of spherical and irregularly shaped particles using flash X-ray radiography. The estimated packing fraction of clusters is low enough to correspond to coordination numbers…

Soft Condensed Matter · Physics 2021-03-31 Yuuya Nagaashi , Akiko M. Nakamura , Sunao Hasegawa , Koji Wada

Finding the optimal random packing of non-spherical particles is an open problem with great significance in a broad range of scientific and engineering fields. So far, this search has been performed only empirically on a case-by-case basis,…

Soft Condensed Matter · Physics 2013-08-06 Adrian Baule , Romain Mari , Lin Bo , Louis Portal , Hernan A. Makse

We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads,…

Soft Condensed Matter · Physics 2016-06-03 Lars Pastewka , Mark O. Robbins

In a recent paper [S. Mandal et al., Phys. Rev. E 88, 022129 (2013)] the nature of spatial correlations of plasticity in hard sphere glasses was addressed both via computer simulations and in experiments. It was found that the…

Colloid or nanoparticle mobility under confinement is of central importance to a wide range of physical and biological processes. Here, we introduce a minimal model of particles in a hydrodynamic continuum to examine how particle shape and…

Random sequential adsorption (RSA) of various two dimensional objects is studied in order to find a shape which maximizes the saturated packing fraction. This investigation was begun in our previous paper [Cie\'sla et al., Phys. Chem. Chem.…

Materials Science · Physics 2016-08-02 Michał Cieśla , Grzegorz Pająk , Robert M. Ziff

This article is devoted to the design of importance sampling method for the Monte Carlo simulation of a linear transport equation. This model is of great importance in the simulation of inertial confinement fusion experiments. Our method is…

Numerical Analysis · Mathematics 2018-04-18 X Blanc , C Bordin , G Kluth , G Samba

Packings of identical objects have fascinated both scientists and laymen alike for centuries, in particular the sphere packings and the packings of identical regular tetrahedra. Mathematicians have tried for centuries to determine the…

Metric Geometry · Mathematics 2014-10-07 Chuanming Zong

The state space of a polymer molecule is analysed. We show how the size of the state space can be reduced on the basis of symmetry. In the reduced state space, the probability of a new state (termed below as class) is equal to the number of…

Computational Physics · Physics 2012-03-30 Malgorzata J. Krawczyk

We improve the previously best known upper bounds on the sizes of $\theta$-spherical codes for every $\theta<\theta^*\approx 62.997^{\circ}$ at least by a factor of $0.4325$, in sufficiently high dimensions. Furthermore, for sphere packing…

Metric Geometry · Mathematics 2023-10-10 Naser T. Sardari , Masoud Zargar

This paper encompasses the mathematical derivations of the analytic and generalized formula and recurrence relations to find out the radii of n umber of circles inscribed or packed in the plane region bounded by circular arcs (including…

Differential Geometry · Mathematics 2022-08-23 Harish Chandra Rajpoot

The isoperimetric problem with a density or weighting seeks to enclose prescribed weighted volume with minimum weighted perimeter. According to Chambers' recent proof of the log-convex density conjecture, for many densities on…

Metric Geometry · Mathematics 2020-11-10 Eliot Bongiovanni , Alejandro Diaz , Arjun Kakkar , Nat Sothanaphan

Assemblies of purely repulsive and frictionless particles, such as emulsions or hard spheres, display very curious properties near their jamming transition, which occurs at the random close packing for mono-disperse spheres. Although such…

Soft Condensed Matter · Physics 2014-11-19 Matthieu Wyart

Spherical $t$-designs on $\mathbb{S}^{d}\subset\mathbb{R}^{d+1}$ provide $N$ nodes for an equal weight numerical integration rule which is exact for all spherical polynomials of degree at most $t$. This paper considers the generation of…

Numerical Analysis · Mathematics 2017-09-07 Robert S. Womersley

Recent progress on molecular theories of hydration of nonpolar solutes in aqueous solution has led to new ways of thinking about the old issue of free, or "available," volume in liquids. This article surveys the principal new results with…

Chemical Physics · Physics 2007-05-23 Lawrence R. Pratt , Shekhar Garde , Gerhard Hummer

Certain spatial distributions of water inside partially filled containers can significantly reduce the bounce of the container. In experiments with containers filled to a volume fraction $\phi$, we show that rotation offers control and high…

This paper provides new bounds on the size of spheres in any coordinate-additive metric with a particular focus on improving existing bounds in the sum-rank metric. We derive improved upper and lower bounds based on the entropy of a…

Information Theory · Computer Science 2025-07-04 Hugo Beeloo-Sauerbier Couvée , Thomas Jerkovits , Jessica Bariffi
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