Analysis of gas-surface scattering models based on computational molecular dynamics

A. N. Yakunchikov, V. L. Kovalev, S. V. Utyuzhnikov

    Research output: Contribution to journalArticlepeer-review

    Abstract

    The paper is devoted to the comparison of different scattering models for molecular hydrogen interacting with a graphite surface. Such problems occur in many applications related to gas-solid problems in high-altitude-vehicle thermodynamics and nanotechnologies. The scattering kernels by Maxwell, Epstein and Cercignani-Lampis are analyzed for different conditions. A new analytical scattering kernel based on the combination of Epstein and Cercignani-Lampis models is proposed for better agreement with the trajectory computational results. © 2012 Elsevier B.V. All rights reserved.
    Original languageEnglish
    Pages (from-to)225-230
    Number of pages5
    JournalChemical Physics Letters
    Volume554
    DOIs
    Publication statusPublished - 3 Dec 2012

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