Validity of the molecular-dynamics-lattice-gas global equilibrium distribution function

M. Reza Parsa, Aleksandra Pachalieva () and Alexander J. Wagner
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M. Reza Parsa: Program in Materials and Nanotechnology, North Dakota State University, Fargo, ND 58108, USA2Department of Applied Mathematics, University of California, Merced, CA, 95343, USA
Aleksandra Pachalieva: Department of Mechanical Engineering, Technical University of Munich, 85748 Garching, Germany
Alexander J. Wagner: Department of Physics, North Dakota State University, Fargo, 58108 ND, USA

International Journal of Modern Physics C (IJMPC), 2019, vol. 30, issue 10, 1-9

Abstract: The molecular-dynamics-lattice-gas (MDLG) method establishes a direct link between a lattice-gas method and the coarse-graining of a molecular dynamics (MD) approach. Due to its connection to MD, the MDLG rigorously recovers the hydrodynamics and allows to validate the behavior of the lattice-gas or lattice-Boltzmann methods directly without using the standard kinetic theory approach. In this paper, we show that the analytical definition of the equilibrium distribution function remains valid even for very high volume fractions.

Keywords: Molecular dynamics; lattice gas; lattice Boltzmann method (search for similar items in EconPapers)
Date: 2019
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DOI: 10.1142/S0129183119410079

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