Development of n-body expansion interatomic potentials and its application for V

•A new formalism of the n-body interatomic potentials is developed by explicitly accounting for 3-body interactions.•The interatomic potentials for V are constructed.•The formalism more accurately predicts properties of V in comparison with the available potentials. An improved accuracy in the descr...

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Veröffentlicht in:	Computational materials science 2016-08, Vol.121, p.67-78
Hauptverfasser:	Lipnitskii, A.G., Saveliev, V.N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Energy of formation Formations Heat of fusion Interatomic potentials Mathematical analysis Mathematical models Melting points n-body interactions Surface energy Thermal expansion Vanadium
Online-Zugang:	Volltext
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