A comparative study of fracture in Al: Quantum mechanical vs. empirical atomistic description

Journal of the Mechanics and Physics of Solids

Volumn 59, Issue 4, 2011, Pages 775-786

  Peng, Qing ^a   Lu, Gang ^a  

^a CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

Atomistic simulation; Dislocations; First principles electron structure theory; Fracture mechanics; Plastic deformation

Indexed keywords

ADJACENT SLIP PLANES; ATOMIC INTERACTIONS; ATOMISTIC SIMULATIONS; COMPARATIVE STUDIES; CRACK PROFILES; DISLOCATIONS; ELECTRON CHARGE DENSITY; FIRST-PRINCIPLES; FRACTURE BEHAVIOR; MAXIMUM LOAD; QUANTUM MECHANICAL; QUASICONTINUUM METHOD; SHARP CORNERS; SINGLE SLIP; STRAIGHT CRACK;

CRACK TIPS; FRACTURE MECHANICS; PLASTIC DEFORMATION; QUANTUM THEORY; TWINNING;

DENSITY FUNCTIONAL THEORY;

EID: 79952364100     PISSN: 00225096     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmps.2011.01.008     Document Type: Article

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