Molecular-dynamics study on characteristics of energy and tangential momentum accommodation coefficients

Hiroki Yamaguchi, yu Matsuda, Tomohide Niimi

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Gas-surface interaction is studied by the molecular dynamics method to investigate qualitatively characteristics of accommodation coefficients. A large number of trajectories of gas molecules colliding to and scattering from a surface are statistically analyzed to calculate the energy (thermal) accommodation coefficient (EAC) and the tangential momentum accommodation coefficient (TMAC). Considering experimental measurements of the accommodation coefficients, the incident velocities are stochastically sampled to represent a bulk condition. The accommodation coefficients for noble gases show qualitative coincidence with experimental values. To investigate characteristics of these accommodation coefficients in detail, the gas-surface interaction is parametrically studied by varying the molecular mass of gas, the gas-surface interaction strength, and the molecular size of gas, one by one. EAC increases with increasing every parameter, while TMAC increases with increasing the interaction strength, but decreases with increasing the molecular mass and the molecular size. Thus, contradictory results in experimentally measured TMAC for noble gases could result from the difference between the surface conditions employed in the measurements in the balance among the effective parameters of molecular mass, interaction strength, and molecular size, due to surface roughness and/or adsorbed molecules. The accommodation coefficients for a thermo-fluid dynamics field with a temperature difference between gas and surface and a bulk flow at the same time are also investigated.

Original languageEnglish
Article number013116
JournalPhysical Review E
Volume96
Issue number1
DOIs
Publication statusPublished - 2017 Jul 25
Externally publishedYes

Fingerprint

accommodation coefficient
Molecular Dynamics
Momentum
molecular dynamics
momentum
Coefficient
Energy
gases
energy
surface reactions
Interaction
rare gases
Molecules
Gas
fluid dynamics
Fluid Dynamics
Coincidence
Surface Roughness
molecules
temperature gradients

ASJC Scopus subject areas

  • Statistics and Probability
  • Condensed Matter Physics
  • Statistical and Nonlinear Physics

Cite this

Molecular-dynamics study on characteristics of energy and tangential momentum accommodation coefficients. / Yamaguchi, Hiroki; Matsuda, yu; Niimi, Tomohide.

In: Physical Review E, Vol. 96, No. 1, 013116, 25.07.2017.

Research output: Contribution to journalArticle

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