Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations

Molecular Simulation

Volumn 31, Issue 4, 2005, Pages 283-288

  Schall, J David ^a   Padgett, Clifford W ^a   Brenner, Donald W ^a  

^a North Carolina State University   (United States)

Author keywords

Continuum heat flow; Continuum Atomistic Thermostat; Molecular dynamics simulation; Molecular heat flow

Indexed keywords

BOUNDARY CONDITIONS; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); FEEDBACK; HEAT FLUX; SINGLE CRYSTALS; THERMOSTATS; TRANSPORT PROPERTIES;

CONTINUUM ATOMISTIC THERMOSTAT; CONTINUUM HEAT FLOWS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR HEAT FLOWS;

MOLECULAR DYNAMICS;

EID: 18144373774     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020512331336898     Document Type: Article

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