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• W2059159178 abstract "Bond-order potentials are an appealing way to describe the cohesive energy of materials, because they are based on the rigourous quantum mechanics of electrons, they can be derived for semiconductors as well as transition metals, and they are suitable for large scale atomistic simulations, yielding insights that previous, simpler models of interatomic forces could not. The concept grew out of Coulson’s definition of bond orders in molecules published in 1939, and was developed into a workable scheme by David Pettifor and co-workers, starting in the 1980s. This article is an introduction to the ideas and their implementation." @default.
• W2059159178 created "2016-06-24" @default.
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• W2059159178 date "2007-02-01" @default.
• W2059159178 modified "2023-10-16" @default.
• W2059159178 title "Bond-order potentials through the ages" @default.
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• W2059159178 doi "https://doi.org/10.1016/j.pmatsci.2006.10.003" @default.
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