Upper bound on the Edwards entropy in frictional monodisperse hard-sphere packings

Schröter M, Baranau V, Zhao SC, Scheel M, Tallarek U (2016)

Publication Language: English

Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2016

Journal

Soft Matter Royal Society of Chemistry

Book Volume: 12

Pages Range: 3991-4006

Journal Issue: 17

DOI: 10.1039/c6sm00567e

Abstract

We extend the Widom particle insertion method [B. Widom, J. Chem. Phys., 1963, 39, 2808-2812] to determine an upper bound s on the Edwards entropy in frictional hard-sphere packings. s corresponds to the logarithm of the number of mechanically stable configurations for a given volume fraction and boundary conditions. To accomplish this, we extend the method for estimating the particle insertion probability through the pore-size distribution in frictionless packings [V. Baranau, et al., Soft Matter, 2013, 9, 3361-3372] to the case of frictional particles. We use computer-generated and experimentally obtained three-dimensional sphere packings with volume fractions φ in the range 0.551-0.65. We find that s has a maximum in the vicinity of the Random Loose Packing Limit φ = 0.55 and decreases then monotonically with increasing φ to reach a minimum at φ = 0.65. Further on, s does not distinguish between real mechanical stability and packings in close proximity to mechanical stable configurations. The probability to find a given number of contacts for a particle inserted in a large enough pore does not depend on φ, but it decreases strongly with the contact number.

Authors with CRIS profile

Matthias Schröter Lehrstuhl für Multiscale Simulation of Particulate Systems

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

Involved external institutions

Philipps-Universität Marburg DE Germany (DE) European Synchrotron Radiation Facility (ESRF) FR France (FR)

How to cite

APA:

Schröter, M., Baranau, V., Zhao, S.-C., Scheel, M., & Tallarek, U. (2016). Upper bound on the Edwards entropy in frictional monodisperse hard-sphere packings. Soft Matter, 12(17), 3991-4006. https://dx.doi.org/10.1039/c6sm00567e

MLA:

Schröter, Matthias, et al. "Upper bound on the Edwards entropy in frictional monodisperse hard-sphere packings." Soft Matter 12.17 (2016): 3991-4006.

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