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

21 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)225-230
Number of pages6
JournalChemical Physics Letters
Volume554
DOIs
Publication statusPublished - 3 Dec 2012
Externally publishedYes

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