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Title: Molecular hydrodynamics: Vortex formation and sound wave propagation

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.5011992· OSTI ID:1435106
ORCiD logo [1];  [2];  [3];  [4]; ORCiD logo [1]
  1. Korea Advanced Inst. Science and Technology (KAIST), Daejeon (Korea, Republic of)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Univ. Augsburg (Germany)
  4. Brown Univ., Providence, RI (United States)
+ Show Author Affiliations

In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data obtained from extensive molecular dynamics simulations, we computed the transverse and longitudinal components of the velocity field by the Helmholtz decomposition and compared them with those obtained from the linearized Navier-Stokes (LNS) equations with time-dependent transport coefficients. By investigating the vortex dynamics and the sound wave propagation in terms of these field components, we confirm the validity of the LNS description for times comparable to or larger than several mean collision times. The LNS description still reproduces the transverse velocity field accurately at smaller times, but it fails to predict characteristic patterns of molecular origin visible in the longitudinal velocity field. Based on these observations, we validate the main assumptions of the mode-coupling approach. The assumption that the velocity autocorrelation function can be expressed in terms of the fluid velocity field and the tagged particle distribution is found to be remarkably accurate even for times comparable to or smaller than the mean collision time. This suggests that the hydrodynamic-mode description remains valid down to the molecular scale.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
AC02-05CH11231; AC05-00OR22725
OSTI ID:
1435106
Alternate ID(s):
OSTI ID: 1416644
Journal Information:
Journal of Chemical Physics, Vol. 148, Issue 2; Related Information: © 2018 Author(s).; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 8 works
Citation information provided by
Web of Science

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Cited By (5)

Density-Dependent Finite System-Size Effects in Equilibrium Molecular Dynamics Estimation of Shear Viscosity: Hydrodynamic and Configurational Study text January 2019
Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions journal January 2019
Nature of Intrinsic Uncertainties in Equilibrium Molecular Dynamics Estimation of Shear Viscosity for Simple and Complex Fluids text January 2018
Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids journal July 2018
Density-dependent finite system-size effects in equilibrium molecular dynamics estimation of shear viscosity: Hydrodynamic and configurational study journal September 2019

Figures / Tables (11)

FIG. 1(p. 8)figure FIG. 1
FIG. 2(p. 9)figure FIG. 2
FIG. 3(p. 9)figure FIG. 3
FIG. 4(p. 10)figure FIG. 4
FIG. 5(p. 10)figure FIG. 5
FIG. 6(p. 11)figure FIG. 6
FIG. 7(p. 11)figure FIG. 7
FIG. 8(p. 11)figure FIG. 8
FIG. 9(p. 12)figure FIG. 9
FIG. 10(p. 14)figure FIG. 10
FIG. 11(p. 16)figure FIG. 11

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Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS