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.
Quantifying the Thermal Accommodation Coefficient for Iron Surfaces Using Molecular Dynamics Simulations
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Sipkens, TA, Daun, KJ, Titantah, JT, & Karttunen, M. "Quantifying the Thermal Accommodation Coefficient for Iron Surfaces Using Molecular Dynamics Simulations." Proceedings of the ASME 2015 International Mechanical Engineering Congress and Exposition. Volume 8B: Heat Transfer and Thermal Engineering. Houston, Texas, USA. November 13–19, 2015. V08BT10A027. ASME. https://doi.org/10.1115/IMECE2015-52150
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