Two quantum mechanical/molecular mechanical coupling schemes appropriate for fracture mechanics studies

Collection of Technical Papers - AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference

Volumn 6, Issue , 2007, Pages 5580-5593

  Khare, Roopam ^a   Mielke, Steven L ^b   Paci, Jeffrey T ^b   Zhang, Sulin ^a   Schatz, George C ^b   Belytschko, Ted ^a  

^a Northwestern University   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; COMPUTER SIMULATION; COVALENT BONDS; FRACTURE; FRACTURE MECHANICS; QUANTUM THEORY;

CHEMICAL INTERACTIONS; FRACTURE STUDIES; MM POTENTIALS; ONLOM SCHEME; OVERLAPPING DOMAIN LINK ATOM (ODLA);

MOLECULAR MECHANICS;

EID: 34547544883     PISSN: 02734508     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.2514/6.2007-2171     Document Type: Conference Paper

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