Fullerene and graphene formation from carbon nanotube fragments

Computational and Theoretical Chemistry

Volumn 987, Issue , 2012, Pages 115-121

  Uberuaga, Blas P ^a   Stuart, Steven J ^b   Windl, Wolfgang ^c   Masquelier, Michael P ^d,f   Voter, Arthur F ^e  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b CLEMSON UNIVERSITY   (United States)

^c The Ohio State University   (United States)

^d MOTOROLA INC   (United States)

^e LOS ALAMOS NATIONAL LABORATORY   (United States)

^f NONE   (United States)

Author keywords

Accelerated molecular dynamics; Carbon nanotubes; Graphene; Infrequent events; Parallel replica dynamics; Temperature accelerated dynamics

Indexed keywords

EID: 84859144895     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.11.030     Document Type: Article

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