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MD Simulation of 2D Rb Liquid and Solid Phases in Graphite

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Computer Simulation Studies in Condensed Matter Physics

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 33))

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Abstract

We present here initial results of our molecular dynamics (MD) study of an intercalated two dimensional (2D) Rb liquid modulated by its periodic graphite host/1–4/. The circular average of the in-plane liquid structure factor S(q) has been experimentally determined by X-ray scattering for stage 2 Rb/4/, K/5/ and Cs/6/ in highly oriented pyrolytic graphite (HOPG) and there is considerable X-ray photographic data on the anisotropic liquid scattering from intercalated graphite single crystals/6–9/. There is also extensive information on the in-plane alkali dynamics from inelastic/10/ and quasielastic/11/ neutron scattering that may be directly compared to MD calculations of S(q,ω).

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© 1988 Springer-Verlag Berlin Heidelberg

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Fan, J.B., Karim, O.A., Reiter, G., Moss, S.C. (1988). MD Simulation of 2D Rb Liquid and Solid Phases in Graphite. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed Matter Physics. Springer Proceedings in Physics, vol 33. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93400-1_27

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  • DOI: https://doi.org/10.1007/978-3-642-93400-1_27

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-93402-5

  • Online ISBN: 978-3-642-93400-1

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