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.
Potential energy surface for rare gases adsorbed on Cu(111): Parameterization of the gas/metal interaction potential / Righi M.C.; Ferrario M.. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - ELETTRONICO. - 19:30(2007), pp. 305008.1-305008.10. [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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