A molecular dynamics study on the impact of defects and functionalization on the Young modulus of boron-nitride nanotubes

Computational Materials Science

Volumn 45, Issue 4, 2009, Pages 1097-1103

  Griebel, Michael ^a   Hamaekers, Jan ^a   Heber, Frederik ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Boron nitride nanotubes; Defects; Elastic moduli; Functionalization; Molecular dynamics simulations

Indexed keywords

ATOMIC STRUCTURES; BOND ORDERS; BORON-NITRIDE NANOTUBES; COVALENT BONDINGS; DEFECT CONCENTRATIONS; DIFFUSION BEHAVIORS; EXTERNAL STRESS; FUNCTIONALIZATION; IN VACUUMS; MANY BODIES; MOLECULAR DYNAMICS SIMULATIONS; PARRINELLO-RAHMAN; STANDARD TEMPERATURE AND PRESSURES; TENSILE LOADS; TERSOFF POTENTIALS; VACANCY DEFECTS; YOUNG MODULUS;

AMORPHOUS SILICON; ATOMS; BORON; BORON NITRIDE; CRYSTAL ATOMIC STRUCTURE; DEFECTS; ELASTIC MODULI; MOLECULAR DYNAMICS; NANOTUBES; NONMETALS; SILICON NITRIDE; STEREOCHEMISTRY; STRESS-STRAIN CURVES; VACANCIES;

DYNAMICS;

EID: 67349205468     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.03.029     Document Type: Article

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