First-principles study of mechanical properties of one-dimensional carbon nanotube intramolecular junctions

Computational Materials Science

Volumn 70, Issue , 2013, Pages 1-7

  Kinoshita, Yusuke ^a   Murashima, Motoyuki ^a   Kawachi, Masaki ^a   Ohno, Nobutada ^a  

^a NAGOYA UNIVERSITY   (Japan)

Author keywords

Carbon nanotube; First principles; Intramolecular junction; Mechanical properties; Pentagon heptagon defect

Indexed keywords

BREAKING STRAIN; FIRST-PRINCIPLES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; INTER-ATOMIC DISTANCES; INTERATOMIC POTENTIAL; INTRAMOLECULAR JUNCTIONS; SEVEN-MEMBERED RINGS; TENSILE DEFORMATION; YOUNG'S MODULUS;

CARBON NANOTUBES; DEFECTS; DEFORMATION; DENSITY FUNCTIONAL THEORY; MECHANICAL PROPERTIES; SINGLE-WALLED CARBON NANOTUBES (SWCN); TENSILE STRENGTH;

CALCULATIONS;

EID: 84872705218     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.12.033     Document Type: Article

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