Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session R45: Computational Methods for Statistical Mechanics: Advances and Applications I
8:00 AM–10:36 AM,
Thursday, March 5, 2020
Room: 706
Sponsoring
Units:
DCOMP GSNP
Chair: Markus Eisenbach, Oak Ridge National Lab
Abstract: R45.00011 : Integer lattice gases, Molecular Dynamics Lattice Gas and an alternative derivation of the lattice Boltzmann method
Presenter:
Alexander Wagner
(North Dakota State Univ)
Authors:
Alexander Wagner
(North Dakota State Univ)
Noah Seekins
(North Dakota State Univ)
Reza Parsa
(North Dakota State Univ)
Aleksandra Pachalieva
(North Dakota State Univ)
1) that lattice Boltzmann methods can be derived rigorously from Molecular Dynamics simulations through a coarse graining approach (MDLG) that maps Molecular Dynamics onto an integer lattice gas. This gives insights into the surprisingly large correct fluctuations for non-ideal gases and fluids as well as the physical meaning of over-relaxation in lattice Boltzmann.
2) the efficient implementation of integer lattice gases that can be considerably more efficient than the equivalent lattice Boltzmann implementation.
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