The dimensional evolution of structure and dynamics in hard sphere liquids

Charbonneau, Patrick and Hu, Yi and Kundu, Joyjit and et al, . (2022) The dimensional evolution of structure and dynamics in hard sphere liquids. The Journal of Chemical Physics, 156 (13). pp. 1-12. ISSN 0021-9606

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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 Dd 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. © 2022 Author(s).

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Additional Information: We thank Nathan Clisby for useful discussions about the virial expansion and Francesco Zamponi for various discussions. We would also like to thank Atsushi Ikeda for sharing a code that solves the HNC structure and Andres Santos for a code that solves the PY structure. This work was supported by a grant from the Simons Foundation (Grant No. 454937 to P.C.). The simulations were performed both at Duke Compute Cluster (DCC)?for which the authors thank Tom Milledge?s assistance?and on Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation (Grant No. ACI-1548562).
Uncontrolled Keywords: Evolution of structures; Exponential increase; Glass-forming liquid; Hard spheres; Hard-sphere glass; Infinite dimensional; Low dimensional; Mean-field; Structure and dynamics; Theoretical physics
Subjects: Physics
Physics > Fluid mechanics
Divisions: Department of Chemistry
Department of Physics
Depositing User: . LibTrainee 2021
Date Deposited: 02 Jul 2022 09:30
Last Modified: 13 Jul 2022 10:39
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