Molecular diffusion in monolayer and submonolayer nitrogen

Flemming Yssing Hansen, Ludwig Walter Bruch

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Abstract

The orientational and translational motions in a monolayer fluid of physisorbed molecular nitrogen are treated using molecular dynamics simulations. Dynamical response functions and several approximations to the coefficient of translational diffusion are determined for adsorption on the basal plane surface of graphite and on a fictitious uncorrugated graphite surface. The rotational diffusion constants in the plastic crystal and in the fluid phase are calculated. The possibility of observing these phenomena with quasielastic scattering experiments is discussed. The wave vector range is determined where the ballistic approximation to the translational molecular self-correlation function is accurate.
Original languageEnglish
JournalPhysical Review B Condensed Matter
Volume64
Issue number4
Pages (from-to)045413
ISSN0163-1829
DOIs
Publication statusPublished - 2001

Bibliographical note

Copyright (2001) American Physical Society

Keywords

  • PT(111)
  • N-2
  • COMPUTER-SIMULATION
  • GAS
  • INELASTIC-SCATTERING
  • ADSORPTION
  • LIQUID N2
  • DYNAMICS SIMULATION
  • GRAPHITE
  • ELASTIC NEUTRON-SCATTERING

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