Publications
Interatomic bond-order potentials and cluster expansions
R. Drautz, D. Nguyen-Manh, D. A. Murdick, X. W. Zhou, H. N. G. Wadley, D. G. Pettifor.
TMS Letters, 1, 31, (2004)
Abstract
The cluster expansion coefficients, at the heart of Didier
de Fontaine’s research, may be formally related to local
N-body potentials. Recent developments in deriving analytic many-body bond-order potentials (BOPs) are shown
to predict reliable structural trends across the sp-valent
elements, thereby making BOPs a valuable tool in the
understanding and derivation of cluster expansion coefficients.
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