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Current issue   Ukr. J. Phys. 2017, Vol. 62, N 8, p.717-726


Manoilov E.G., Kravchenko S.A., Snopok B.A.

V.E. Lashkaryov Institute of Semiconductor Physics, Nat. Acad. of Sci. of Ukraine
(41, Prosp. Nauky, Kyiv 03028, Ukraine; e-mail: snopok@isp.kiev.ua)

Features of Near-Surface Layer at Monomolecular Isotropic Adsorp-tion: Nonequilibrium Molecular Dynamics Simulation

Section: General Problems of Theoretical Physics
Original Author's Text:  Ukrainian/English

Abstract: Processes running in the gas phase near a solid surface have been analyzed in the framework of
nonequilibrium dynamics and by simulating the irreversible monomolecular isotropic adsorption. Their infuence on the adsorption kinetics is analyzed. A complicated spatial organization
of particles in the near-surface layer, where the particle concentration and energy vary in time,
is revealed,. It is found that the local particle concentration can either decrease (down to about
60% of the initial value) or increase with the distance from the surface, depending on the system concerned. The obtained results can be used to analyze and to predict processes running
in the near-surface layer of elements for the sensor and electronic engineering, gas dynamics, and other areas, where the ballistic character and the kinematics of motion dominate and
govern the functional properties of the system.

Key words: molecular dynamics, isotropic adsorption, adsorption kinetics, near-surface concentration.