Molecular dynamics (MD) simulations of the dependence of C-C bond lengths and bond angles on the tensile strain in single-wall carbon nanotubes (SWCNT)

Computational Materials Science

Volumn 41, Issue 4, 2008, Pages 450-456

  Agrawal, Paras M ^a   Sudalayandi, B S ^a   Raff, L M ^b   Komanduri, R ^a  

^a Oklahoma State University   (United States)

^b OKLAHOMA STATE UNIVERSITY   (United States)

Author keywords

Brenner potential; Carbon nanotubes (CNT); MD simulations; Tensile testing

Indexed keywords

BOND LENGTH; COMPUTER SIMULATION; FUNCTIONS; MOLECULAR DYNAMICS; STRETCHING; TENSILE STRAIN;

ARMCHAIR; ATTENUATION FUNCTIONS; BOND ANGLES; BREAKING STRAIN; BRENNER POTENTIAL;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 38649114655     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.05.001     Document Type: Article

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