Controllers for imposing continuum-to-molecular boundary conditions in arbitrary fluid flow geometries

Molecular Simulation

Volumn 36, Issue 10, 2010, Pages 745-757

  Borg, Matthew K ^a   MacPherson, Graham B ^b   Reese, Jason M ^a  

^a UNIVERSITY OF STRATHCLYDE   (United Kingdom)

^b OpenCFD Ltd   (United Kingdom)

Author keywords

boundaryconditions; controllers; hybrid MD continuumsimulations; molecular dynamics; nanofluidics; thermodynamic state

Indexed keywords

BOUNDARY REGIONS; COMPLEX-COUPLING; CONTINUUM SIMULATIONS; FLUID FLOW; HYBRID MD CONTINUUMSIMULATIONS; MD SIMULATION; MOLECULAR DIAMETER; MOLECULAR DYNAMICS SIMULATIONS; NANO CHANNELS; PERIODIC BOUNDARY CONDITIONS; POLYATOMICS; THERMODYNAMIC STATE; VELOCITY AUTOCORRELATION FUNCTIONS;

BOUNDARY CONDITIONS; FLOW OF FLUIDS; MOLECULAR DYNAMICS; NANOFLUIDICS; REGRESSION ANALYSIS; THERMODYNAMIC PROPERTIES;

CONTROLLERS;

EID: 77958170233     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927021003752812     Document Type: Article

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