Continuum-molecular modelling of graphene

Computational Materials Science

Volumn 53, Issue 1, 2012, Pages 37-43

  Samadikhah, Kaveh ^a   Larsson, Ragnar ^a   Bazooyar, Faranak ^b   Bolton, Kim ^b  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b University of Bors   (Sweden)

Author keywords

Cauchy Born rule; Computational homogenization; Density functional theory; Graphene membranes; Tersoff Brenner potential

Indexed keywords

ATOMIC FIELDS; CARBON STRUCTURES; CAUCHY-BORN RULE; CBR; COMPUTATIONAL HOMOGENIZATION; CONTINUUM MODEL; DENSITY FUNCTIONAL THEORY METHODS; DENSITY FUNCTIONALS; EXPERIMENTAL DATA; FLUCTUATION FIELDS; GEOMETRIC SCALE; HARTREE-FOCK; HIERARCHICAL MODELING; MATERIAL STRESS; MECHANICAL METHODS; MECHANICAL RESPONSE; MICROMETER SCALE; MOLECULAR MECHANICALS; MULTI-SCALE MODELING; MULTISCALES; NANO SCALE; QUANTUM MECHANICAL; TERSOFF-BRENNER POTENTIAL;

CALIBRATION; CONTINUUM MECHANICS; GRAPHENE; HOMOGENIZATION METHOD; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 80054748437     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.09.018     Document Type: Article

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