Gaussian approximation to single particle correlations at and below the picosecond scale for Lennard-Jones and nanoparticle fluids

DOI10.1088/0951-7715/21/5/R01MaRDI QIDQ3498928zbMATH OpenOpenAlexFDO

Authors Ramses van Zon, S. S. Ashwin, E. G. D. Cohen

Publication date 19 May 2008

Published in Nonlinearity (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0803.4187

zbMATH Keywords

Greens' function techniquenanofluids descriptionstatistical physicsVan Hove self-correlation function

Mathematics Subject Classification ID

Foundations of time-dependent statistical mechanics (82C03) Transport processes in time-dependent statistical mechanics (82C70)

Abstract: To describe short-time (picosecond) and small-scale (nanometre) transport in fluids, a Green's function approach was recently developed. This approach relies on an expansion of the distribution of single particle displacements around a Gaussian function, yielding an infinite series of correction terms. Applying a recent theorem [Van Zon and Cohen, J. Stat. Phys. 123, 1-37 (2006)] shows that for sufficiently small times the terms in this series become successively smaller, so that truncating the series near or at the Gaussian level might provide a good approximation. In the present paper, we derive a theoretical estimate for the time scale at which truncating the series at or near the Gaussian level could be supposed to be accurate for equilibrium nanoscale systems. In order to numerically estimate this time scale, the coefficients for the first few terms in the series are determined in computer simulations for a Lennard-Jones fluid, an isotopic Lennard-Jones mixture and a suspension of a Lennard-Jones-based model of nanoparticles in a Lennard-Jones fluid. The results suggest that for Lennard-Jones fluids an expansion around a Gaussian is accurate at time scales up to a picosecond, while for nanoparticles in suspension (a nanofluid), the characteristic time scale up to which the Gaussian is accurate becomes of the order of five to ten picoseconds.

Recommendations

• Green--Kubo expressions for a granular gas
• Theorem on the distribution of short-time particle displacements with physical applications
• Dispersion in Spatially Periodic Media: the Moment-Difference Expansion Method
• Classical fluid dynamics under molecular scale confinement
• scientific article; zbMATH DE number 4131838
• Anomalous diffusion in the Gaussian core model (GCM)-liquid
• scientific article; zbMATH DE number 4131840
• scientific article; zbMATH DE number 4176197
• Short-time asymptotics of hydrodynamic dispersion in porous media
• Theory of self-diffusion of highly charged spherical Brownian particles

Cited in

(1)

• Detecting temporal correlations in hopping dynamics in Lennard–Jones liquids

This page was built for publication: Gaussian approximation to single particle correlations at and below the picosecond scale for Lennard-Jones and nanoparticle fluids

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3498928)