Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations

Journal of Computational Physics

Volumn 229, Issue 5, 2010, Pages 1381-1400

  Gu, Kai ^a   Watkins, Charles B ^a   Koplik, Joel ^b  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b Benjamin Levich Institute for Physico Chemical Hydrodynamics   (United States)

Author keywords

Coupled method; Direct simulation Monte Carlo; Hybrid simulations; Molecular collision model; multiscale simulation; Nonequilibrium molecular dynamics; Particle simulation methods; Solid gas interface

Indexed keywords

COMPUTATION THEORY; ENERGY TRANSFER; GASES; MASS TRANSFER; MOLECULAR DYNAMICS; MOLECULAR MASS; MONTE CARLO METHODS; PHASE INTERFACES; WETTING;

COLLISION MODELING; COUPLED METHOD; DIRECT SIMULATION MONTE CARLO; HYBRID SIMULATION; MOLECULAR COLLISION MODEL; MOLECULAR COLLISIONS; MULTI-SCALE SIMULATION; NON EQUILIBRIUM MOLECULAR DYNAMIC (NEMD); PARTICLE SIMULATION METHOD; SOLID/GAS INTERFACE;

COMPUTATIONAL EFFICIENCY;

EID: 72449210972     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2009.10.035     Document Type: Article

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