Matching conditions in the quasicontinuum method: Removal of the error introduced at the interface between the coarse-grained and fully atomistic region

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 21, 2004, Pages

  Shimokawa, T ^a,b,c   Mortensen, J J ^c   Schiotz J ^c   Jacobsen, K W ^c  

^a KANAZAWA UNIVERSITY   (Japan)

^b OSAKA UNIVERSITY   (Japan)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL ERROR; ARTICLE; ATOM; ATOMIC PARTICLE; CALCULATION; CRYSTAL STRUCTURE; ENERGY CONSERVATION; FORCE; GRAIN; MOLECULAR DYNAMICS; SIMULATION;

EID: 37649032447     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.214104     Document Type: Article

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