Derivation of Langevin dynamics in a nonzero background flow field
ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique, Volume 47 (2013) no. 6, p. 1583-1626

We propose a derivation of a nonequilibrium Langevin dynamics for a large particle immersed in a background flow field. A single large particle is placed in an ideal gas heat bath composed of point particles that are distributed consistently with the background flow field and that interact with the large particle through elastic collisions. In the limit of small bath atom mass, the large particle dynamics converges in law to a stochastic dynamics. This derivation follows the ideas of [P. Calderoni, D. Dürr and S. Kusuoka, J. Stat. Phys. 55 (1989) 649-693. D. Dürr, S. Goldstein and J. Lebowitz, Z. Wahrscheinlichkeit 62 (1983) 427-448. D. Dürr, S. Goldstein and J.L. Lebowitz. Comm. Math. Phys. 78 (1981) 507-530.] and provides extensions to handle the nonzero background flow. The derived nonequilibrium Langevin dynamics is similar to the dynamics in [M. McPhie, P. Daivis, I. Snook, J. Ennis and D. Evans, Phys. A 299 (2001) 412-426]. Some numerical experiments illustrate the use of the obtained dynamic to simulate homogeneous liquid materials under shear flow.

DOI : https://doi.org/10.1051/m2an/2013077
Classification:  82C05,  82C31
Keywords: nonequilibrium, Langevin dynamics, multiscale, molecular simulation
@article{M2AN_2013__47_6_1583_0,
author = {Dobson, Matthew and Legoll, Fr\'ed\'eric and Leli\evre, Tony and Stoltz, Gabriel},
title = {Derivation of Langevin dynamics in a nonzero background flow field},
journal = {ESAIM: Mathematical Modelling and Numerical Analysis - Mod\'elisation Math\'ematique et Analyse Num\'erique},
publisher = {EDP-Sciences},
volume = {47},
number = {6},
year = {2013},
pages = {1583-1626},
doi = {10.1051/m2an/2013077},
zbl = {1287.82017},
mrnumber = {3110489},
language = {en},
url = {http://www.numdam.org/item/M2AN_2013__47_6_1583_0}
}

Dobson, Matthew; Legoll, Frédéric; Lelièvre, Tony; Stoltz, Gabriel. Derivation of Langevin dynamics in a nonzero background flow field. ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique, Volume 47 (2013) no. 6, pp. 1583-1626. doi : 10.1051/m2an/2013077. http://www.numdam.org/item/M2AN_2013__47_6_1583_0/`

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