Atomistic modeling of metal surfaces under electric fields: Direct coupling of electric fields to a molecular dynamics algorithm

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 83, Issue 2, 2011, Pages

  Djurabekova, F ^a   Parviainen, S ^a   Pohjonen, A ^a   Nordlund, K ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL MODEL; APPLIED FIELD; ATOMIC CHARGE; ATOMIC MOTION; ATOMISTIC MODELING; ATOMISTIC MOLECULAR DYNAMICS; CHARGED SURFACES; DIRECT COUPLING; DYNAMICAL SIMULATION; ELECTRIC FORCE; ENHANCEMENT FACTOR; FIELD EFFECTS; GAUSS LAW; HIGH ELECTRIC FIELDS; LORENTZ; METAL SURFACES; MOLECULAR DYNAMICS ALGORITHMS; PARTIAL CHARGES; SHARP FEATURES; SURFACE ATOMS;

ALGORITHMS; ATOMS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELECTRIC PROPERTIES; MATHEMATICAL MODELS; METALS; MODELS; MOLECULAR DYNAMICS; STRUCTURAL METALS;

ELECTRIC FIELD EFFECTS;

EID: 79952506865     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.83.026704     Document Type: Article

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