Implicit particle wall boundary condition in molecular dynamics

Proceedings of the Institution of Mechanical Engineers, Part C: Journal of Mechanical Engineering Science

Volumn 222, Issue 5, 2008, Pages 855-864

  Spijker, P ^a   ten Eikelder, H M M ^a   Markvoort, A J ^a   Nedea, S V ^a   Hilbers, P A J ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Boundary conditions; Molecular dynamics; Nanochannels; Wall potentials

Indexed keywords

BOUNDARY CONDITIONS; BOUNDARY VALUE PROBLEMS; DYNAMICS; HEATING EQUIPMENT; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; THEOREM PROVING; THICK FILMS; TRANSPORT PROPERTIES; WALLS (STRUCTURAL PARTITIONS);

COMPUTATIONAL COSTS; GAS-SOLID; HEAT TRANSFER CHARACTERISTICS; LIQUID-SOLID INTERFACES; MACROSCOPIC QUANTITIES; MD ALGORITHMS; MD SIMULATIONS; MICRO CHANNELS; MOLECULAR-DYNAMICS (MD) SIMULATIONS; NANOMETRE SCALE; PARALLEL PLATES; PRESSURE CALCULATION; SOLID WALLS; WALL BOUNDARY CONDITION;

PHASE INTERFACES;

EID: 48049114597     PISSN: 09544062     EISSN: None     Source Type: Journal    
DOI: 10.1243/09544062JMES713     Document Type: Conference Paper

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