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Title: Nature of self-diffusion in two-dimensional fluids

Journal Article · · New Journal of Physics

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/($$t\sqrt{In t)}$$ however with a rescaled time.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); Korea Advanced Institute of Science and Technology (KAIST)
Grant/Contract Number:
SC0008271; AC02-05CH11231; A0702001005
OSTI ID:
1437764
Alternate ID(s):
OSTI ID: 1432222
Journal Information:
New Journal of Physics, Journal Name: New Journal of Physics Vol. 19 Journal Issue: 12; ISSN 1367-2630
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United Kingdom
Language:
English
Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

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Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids journal July 2018
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Local Density Fluctuation Governs the Divergence of Viscosity Underlying Elastic and Hydrodynamic Anomalies in a 2D Glass-Forming Liquid journal December 2019