The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity

Tripathy, Mukta; Schweizer, Kenneth S.

doi:10.1063/1.3157279

Title: The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity

Journal Article · 29 June 2009 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/1.3157279 · OSTI ID:1876429

Tripathy, Mukta ^[1]; Schweizer, Kenneth S. ^[2]

Univ. of Illinois, Urbana, IL (United States); University of Illinois
Univ. of Illinois, Urbana, IL (United States)

We extend and apply the center-of-mass version of the microscopic naïve mode coupling theory to study the ideal kinetic glass transition of dense fluids and suspensions composed of broad families of one-, two-, and three- dimensional hard nonspherical particles. A kinetic arrest diagram is constructed which indicates a dynamical crossover or onset of activated barrier hopping controlled transport. We find (quasi-) one-dimensional rods and rings form ideal glasses at the lowest volume fractions which decrease strongly with aspect ratio. Two-dimensional disks form ideal glasses at intermediate volume fractions which decrease slowly with the number of particles comprising the planar objects. Compact three-dimensional cluster particles exhibit a subtle nonmonotonic variation of the onset volume fraction that depends on their detailed shape, surface corrugation, and intraparticle interstitial volume. A strong correlation between the ideal kinetic arrest volume fraction and dimensionless compressibility (amplitude of density fluctuations) is predicted. Here, the elastic shear modulus (transient localization length) grows (decreases) exponentially with volume fraction in a manner that becomes stronger as particle dimensionality increases.

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Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: FG02-07ER46471

OSTI ID:: 1876429

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 130; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Design rules for glass formation from model molecules designed by a neural-network-biased genetic algorithm Meenakshisundaram, Venkatesh; Hung, Jui-Hsiang; Simmons, David S. Soft Matter, Vol. 15, Issue 39 https://doi.org/10.1039/c9sm01486a	journal	January 2019
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. II. Thermal liquids Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 140, Issue 19 https://doi.org/10.1063/1.4874843	journal	May 2014
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Title: The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity

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