Atomistic simulations of solid-state materials based on crystal-chemical potential concepts: Basic ideas and implementation

Journal of Alloys and Compounds

Volumn 338, Issue 1-2 SPEC., 2002, Pages 136-141

  Eck, Bernhard ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Bond valence concept; Inorganic materials; Molecular dynamics simulations; Solid state chemistry

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS;

BOND VALENCE CONCEPT (BVC);

INORGANIC COMPOUNDS;

EID: 0037118105     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(02)00227-X     Document Type: Article

References (18)