We propose a model potential function to describe the interaction between rare-gas atoms and a metal surface with parameters derived on the basis of ab initio calculations. We discuss the merits of the proposed functional form for applications in molecular dynamics studies of nanotribology. © IOP Publishing Ltd.
Righi M.C., Ferrario M. (2007). Potential energy surface for rare gases adsorbed on Cu(111): Parameterization of the gas/metal interaction potential. JOURNAL OF PHYSICS. CONDENSED MATTER, 19(30), 1-10 [10.1088/0953-8984/19/30/305008].
Potential energy surface for rare gases adsorbed on Cu(111): Parameterization of the gas/metal interaction potential
Righi M. C.;
2007
Abstract
We propose a model potential function to describe the interaction between rare-gas atoms and a metal surface with parameters derived on the basis of ab initio calculations. We discuss the merits of the proposed functional form for applications in molecular dynamics studies of nanotribology. © IOP Publishing Ltd.File in questo prodotto:
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