Derivation of Langevin dynamics in a nonzero background flow field

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Abstract

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.

Original languageEnglish
Pages (from-to)1583-1626
Number of pages44
JournalMathematical Modelling and Numerical Analysis
Volume47
Issue number6
DOIs
Publication statusPublished - 1 Jan 2013

Keywords

  • Langevin dynamics
  • Molecular simulation
  • Multiscale
  • Nonequilibrium

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