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Journal of Chemical Physics / Volume 130 / Issue 24 / ARTICLES / Polymers and Complex Systems

J. Chem. Phys. 130, 244907 (2009); http://dx.doi.org/10.1063/1.3157280 (9 pages)

The influence of shape on the glassy dynamics of hard nonspherical particle fluids. II. Barriers, relaxation, fragility, kinetic vitrification, and universality

Mukta Tripathy and Kenneth S. Schweizer

Department of Chemical and Biomolecular Engineering and Department of Materials Science, Frederick Seitz Materials Research Laboratory, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801, USA

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(Received 21 February 2009; accepted 30 May 2009; published online 29 June 2009)

We extend and apply the nonlinear Langevin equation theory of activated barrier hopping dynamics in glassy fluids and colloidal suspensions to study broad families of one-, two-, and three-dimensional hard nonspherical particles. Beyond the ideal kinetic arrest volume fraction, entropic barriers emerge with heights (alpha relaxation times, inverse diffusion constants) that increase nonlinearly (nonexponentially) with volume fraction and in a manner that becomes stronger with particle dimensionality. Partial collapse of the volume fraction dependence of barrier heights and reduced relaxation times of different particle shapes within a fixed dimensionality class are achieved based on a difference volume fraction variable that quantifies the distance from the ideal mode coupling theory dynamic crossover. However, the barrier, alpha relaxation time, and self-diffusion constant results of all shapes are remarkably well collapsed onto a single universal master curve based on a theoretically motivated coupling constant which quantifies the renormalized mean square force on a tagged particle. The latter is determined mainly by the square of the intermolecular site-site contact value of the pair correlation function, thereby providing an explicit microscopic connection between local packing, binary collisions, and slow dynamics. A large variation of the dynamic fragility with particle shape is found with compact cluster particles being the most fragile. A kinetic glass transition map is constructed that is relevant to vitrification of laboratory colloidal suspensions. The possible relevance of the hard particle results for understanding the dynamic fragility of thermal van der Waals liquids is discussed.

© 2009 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. ENTROPIC BARRIERS
  3. BARRIER HOPPING TIME AND SELF-DIFFUSION CONSTANT
    1. Theoretical background
    2. Mean barrier hopping time and self-diffusion constant
  4. DYNAMIC FRAGILITY
  5. KINETIC VITRIFICATION
    1. Dynamical arrest map
    2. Implications for colloidal experiments
  6. THERMAL LIQUIDS
  7. SUMMARY AND DISCUSSION

EDITORIALLY RELATED

  1. The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity
    Mukta Tripathy et al.
    J. Chem. Phys. 130, 244906 (2009)JCPSA6000130000024244906000001

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KEYWORDS and PACS

Keywords

colloids, diffusion, glass transition, suspensions, van der Waals forces, vitrification

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3157280

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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