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International Journal of Materials Research

Volumn 100, Issue 11, 2009, Pages 1479-1487

Atomistic modelling of materials with bond-order potentials

(3) Hammerschmidt, Thomas a Drautz, Ralf a Pettifor, David G b

a RUHR UNIVERSITY BOCHUM (Germany)

b UNIVERSITY OF OXFORD (United Kingdom)

Author keywords

Atomistic modelling; Bond order potentials; Crystal phase stability

Indexed keywords

ATOMIC BONDING; ATOMIC ENVIRONMENT; ATOMIC STRUCTURE; ATOMISTIC MODELLING; ATOMISTIC SIMULATIONS; BOND-ORDER POTENTIAL; COMPUTATIONALLY EFFICIENT; CRYSTAL PHASE; INTERATOMIC BONDS; MODEL POTENTIAL; STRUCTURAL ENERGIES; TIGHT BINDING;

ATOMS; CONVERGENCE OF NUMERICAL METHODS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROCARBONS; PHASE STABILITY; STRUCTURAL METALS;

CRYSTAL ATOMIC STRUCTURE;

EID: 77952083748 PISSN: 18625282 EISSN: None Source Type: Journal
DOI: 10.3139/146.110207 Document Type: Article

Times cited : (31)

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