Coupling quantum and continuum scales to predict crack tip dislocation nucleation

Scripta Materialia

Volumn 63, Issue 12, 2010, Pages 1212-1215

  Nair, A K ^a   Warner, D H ^a   Hennig, R G ^a   Curtin, W A ^b  

^a Cornell University   (United States)

^b Brown University   (United States)

Author keywords

Density functional theory; Dislocations; Fracture; Metal and alloys; Multiscale modeling

Indexed keywords

COUPLING ERRORS; CRACK TIP DISLOCATIONS; DISLOCATIONS; DISLOCATIONS AND CRACKS; EXCHANGE-CORRELATION FUNCTIONALS; FUNCTIONALS; GENERALIZED GRADIENTS; METAL AND ALLOYS; MULTI-SCALE MODELING; MULTISCALE COUPLING; MULTISCALE METHOD; PEIERLS MODEL; QUANTUM VALUES; STRESS FIELD; SYSTEM SIZE;

ALLOYS; CRACK TIPS; NUCLEATION; STRESSES;

DENSITY FUNCTIONAL THEORY;

EID: 77957718154     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2010.08.038     Document Type: Article

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