Gas-surface scattering models for Particle Fluid Dynamics: a comparison between analytical approximate models and Molecular Dynamics calculations (Articolo in rivista)

Type
Label
  • Gas-surface scattering models for Particle Fluid Dynamics: a comparison between analytical approximate models and Molecular Dynamics calculations (Articolo in rivista) (literal)
Anno
  • 2000-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/S0009-2614(00)00247-5 (literal)
Alternative label
  • D. Bruno, M. Cacciatore, S. Longo, M. Rutigliano (2000)
    Gas-surface scattering models for Particle Fluid Dynamics: a comparison between analytical approximate models and Molecular Dynamics calculations
    in Chemical physics letters (Print); Elsevier, Amsterdam (Paesi Bassi)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • D. Bruno, M. Cacciatore, S. Longo, M. Rutigliano (literal)
Pagina inizio
  • 245 (literal)
Pagina fine
  • 254 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 320 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 10 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 3-4 (literal)
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR Universià di Bari (literal)
Titolo
  • Gas-surface scattering models for Particle Fluid Dynamics: a comparison between analytical approximate models and Molecular Dynamics calculations (literal)
Abstract
  • A parametric study is performed to test the validity of some of the most common models of gas-surface scattering used in particle simulations of rarefied flows. The simplified models are compared with results of semiclassical molecular dynamics trajectory calculations for inelastic scattering of Xe atoms on GaSe. The simple models are shown to be inadequate to accommodate all the features of the real dynamics. Sample calculations of oxygen heterogeneous recombination on silica are also provided to emphasise the importance of vibrationally state-resolved models. (literal)
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