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Quantifying the Thermal Accommodation Coefficient for Iron Surfaces Using Molecular Dynamics Simulations

[+] Author Affiliations
T. A. Sipkens, K. J. Daun, M. Karttunen

University of Waterloo, Waterloo, ON, Canada

J. T. Titantah

Western University, London, ON, Canada

Paper No. IMECE2015-52150, pp. V08BT10A027; 10 pages
  • ASME 2015 International Mechanical Engineering Congress and Exposition
  • Volume 8B: Heat Transfer and Thermal Engineering
  • Houston, Texas, USA, November 13–19, 2015
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-5750-2
  • Copyright © 2015 by ASME


With nanotechnology becoming an increasingly important field in contemporary science, there is a growing demand for a better understanding of energy exchange on the nanoscale. Techniques, such as time-resolved laser-induced incandescence, for example, require accurate models of gas-surface interaction to correctly predict nanoparticle characteristics. The present work uses molecular dynamics to define the thermal accommodation coefficient of various gases on iron surfaces. A more in depth analysis examines the scattering distributions from the surfaces and examines how well existing scattering kernels and classical theories can represent these distributions. The molecular dynamics-derived values are also compared to recent experimental time-resolved laser-induced incandescence studies aimed at evaluating the thermal accommodation coefficient across a range of surface-gas combinations.

Copyright © 2015 by ASME



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