A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity

Journal of Chemical Physics

Volumn 133, Issue 16, 2010, Pages

  Kuang, Shenyu ^a   Gezelter, J Daniel ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HETEROGENEOUS SYSTEMS; INTERFACIAL THERMAL CONDUCTIVITY; LINEAR MOMENTA; METAL-WATER INTERFACE; MOLECULAR DYNAMICS SIMULATIONS; MOMENTUM EXCHANGE; NON EQUILIBRIUM; NONEQUILIBRIUM MOLECULAR DYNAMICS; NONTHERMAL; SOLID SYSTEMS; TEMPERATURE GRADIENT; THERMAL FLUXES; TOTAL ENERGY;

MOLECULAR DYNAMICS; PHASE INTERFACES; THERMAL CONDUCTIVITY; THERMOANALYSIS; VELOCITY; VELOCITY CONTROL; VELOCITY DISTRIBUTION;

THERMAL CONDUCTIVITY OF SOLIDS;

EID: 78149399033     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3499947     Document Type: Article

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