A novel algorithm to model the influence of host lattice flexibility in molecular dynamics simulations: Loading dependence of self-diffusion in carbon nanotubes

Journal of Chemical Physics

Volumn 124, Issue 15, 2006, Pages

  Jakobtorweihen, S ^a   Lowe, C P ^b   Keil, F J ^a   Smit, B ^b,c  

^a HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF AMSTERDAM   (Netherlands)

^c UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADAPTIVE ALGORITHMS; COMPUTER SIMULATION; CRYSTAL LATTICES; DIFFUSION; INERT GASES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; THERMOSTATS;

COMPUTATIONAL COSTS; FLEXIBLE FRAMEWORK SYSTEMS; NOVEL ALGORITHMS; RIGID LATTICES;

CARBON NANOTUBES;

EID: 34547236879     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2185619     Document Type: Article

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