Abstract
In this article, we present molecular dynamics study of the velocity autocorrelation function (VACF) of a Brownian particle. We compare the results of the simulation with the exact analytic predictions for a compressible fluid from [T.S. Chow, J.J. Hermans, Physica 65, 156 (1973)] and an approximate result combining the predictions from hydrodynamics at short and long times. The physical quantities which determine the decay were determined from separate bulk simulations of the Lennard-Jones fluid at the same thermodynamic state point. We observe that the long-time regime of the VACF compares well the predictions from the macroscopic hydrodynamics, but the intermediate decay is sensitive to the viscoelastic nature of the solvent.
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Chakraborty, D. Velocity autocorrelation function of a Brownian particle. Eur. Phys. J. B 83, 375 (2011). https://doi.org/10.1140/epjb/e2011-20395-3
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DOI: https://doi.org/10.1140/epjb/e2011-20395-3