The scattering of gases on solid surfaces plays an essential
role in many advanced technologies. When gas molecules have a mean free path
comparable to or larger than the system's characteristic length, the behavior
falls under rarefied gas dynamics, such as systems in high-altitude aerospace
environments, vacuum technology, and nanoscale processes. Understanding heat
transfer mechanisms in these environments is critical to designing and
operating various engineering systems, including spacecraft, satellites,
microscale devices, and vacuum-based manufacturing systems. This chapter
focuses on the atomistic simulation methods for studying thermal energy
transfer between rarefied gases and solid surfaces. Molecular dynamics
simulations with massive gas molecules were introduced to evaluate the
interfacial energy transfer between sparse helium gas molecules and iron
crystals. The influence of velocity distribution of gas molecules on the
interfacial thermal accommodation coefficient was investigated by molecular beam
molecular dynamics simulations of helium on graphite to showcase the
significance of the fast atom effect. The incident angle-resolved behaviors and
the scattering process were examined for helium on graphene to provide a
fundamental understanding between gas molecules and solid surfaces. Then the
Monte Carlo method was used to build the connection between the angle-resolved
solutions and the macroscopic energy accommodation coefficient by sampling the
velocity distribution of gas molecules. This chapter should pave an avenue for
the atomistic simulations of energy transfer between gas and solid surfaces.
Author(s) Details:
Lin Zhang,
Department of Engineering Mechanics, School of Civil Engineering,
Shandong University, Jinan 250061, China.
Heng
Ban,
Department
of Mechanical Engineering and Materials Science, University of Pittsburgh,
Pittsburgh, PA 15261, USA.
Please see the link here: https://stm.bookpi.org/CICMS-V6/article/view/13604
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