Electron transport enhanced molecular dynamics for metals and semi-metals

International Journal for Numerical Methods in Engineering

Volumn 83, Issue 8-9, 2010, Pages 940-967

  Jones, Reese E ^a   Templeton, Jeremy A ^a   Wagner, Gregory J ^a   Olmsted, David ^b   Modine, Nomand A ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Electron phonon coupling; Finite elements; Heat transport; Molecular dynamics

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; COMMONLY USED; CONDUCTING SUBSTRATES; CONTINUUM DESCRIPTION; COPPER NANOWIRES; COUPLING SCHEME; ELECTRON PHONON COUPLINGS; ELECTRON TRANSPORT; ENERGY FLUXES; EXPLICIT SCHEME; FAST ELECTRON TRANSPORT; FINITE ELEMENT; FINITE-ELEMENT DOMAINS; FREE ELECTRON; GAUSSIANS; HEAT TRANSPORT; LOCAL CONTROL; SEMI-METALS; STABLE TIME; TWO TEMPERATURE MODEL;

CARBON NANOTUBES; DOMAIN DECOMPOSITION METHODS; DYNAMICS; ELECTRON CORRELATIONS; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; ELECTRON-PHONON INTERACTIONS; FINITE ELEMENT METHOD; HEATING; LASER EXCITATION; NANOWIRES;

MOLECULAR DYNAMICS;

EID: 77956106765     PISSN: 00295981     EISSN: 10970207     Source Type: Journal    
DOI: 10.1002/nme.2857     Document Type: Article

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