The dimensional evolution of structure and dynamics in hard sphere liquids

Author:

Charbonneau Patrick12ORCID,Hu Yi1ORCID,Kundu Joyjit13ORCID,Morse Peter K.1ORCID

Affiliation:

1. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA

2. Department of Physics, Duke University, Durham, North Carolina 27708, USA

3. Department of Physics, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, TN 502285, India

Abstract

The formulation of the mean-field infinite-dimensional solution of hard sphere glasses is a significant milestone for theoretical physics. How relevant this description might be for understanding low-dimensional glass-forming liquids, however, remains unclear. These liquids indeed exhibit a complex interplay between structure and dynamics, and the importance of this interplay might only slowly diminish as dimension d increases. A careful numerical assessment of the matter has long been hindered by the exponential increase in computational costs with d. By revisiting a once common simulation technique involving the use of periodic boundary conditions modeled on D d lattices, we here partly sidestep this difficulty, thus allowing the study of hard sphere liquids up to d = 13. Parallel efforts by Mangeat and Zamponi [Phys. Rev. E 93, 012609 (2016)] have expanded the mean-field description of glasses to finite d by leveraging the standard liquid–state theory and, thus, help bridge the gap from the other direction. The relatively smooth evolution of both the structure and dynamics across the d gap allows us to relate the two approaches and to identify some of the missing features that a finite- d theory of glasses might hope to include to achieve near quantitative agreement.

Funder

Simons Foundation

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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