Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions

Zeng, Dan; Liu, Chong; Jiang, Jingjie; Fan, Jing

doi:10.1088/2053-1591/ab550f

Cited by 1 publication

(1 citation statement)

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“…Another definition of sticking is that the molecule remains on the surface after the first bounce [29]. There are other criteria distinguishing sticking from reflection, such as whether the molecule has interacted with the surface long enough before it departs from the surface [30], and whether the outgoing molecules accommodate the surface temperature. In experiment studies, the sticking probability is relative to the departures from the equilibrium state for the measurable quantities such as the times of flight and the distributions of the scattering angle and energy.…”

Section: Introductionmentioning

confidence: 99%

Exponential relaxation of the energy and desorption dynamics of atoms colliding with a surface

Zeng,

Jiang,

Liu

et al. 2024

Phys. Scr.

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Atom–surface collisions are one of the most important topics in Surf. Sci.. To further disclose the physical mechanism underlying atom–surface interaction at the microscopic level, we study the dynamics of an incident atom with a molecular dynamics simulation. Emphasis is put on the temporal evolutions of energy and residence times of the colliding atoms. The incident atoms experience two stages after colliding with the surface. First, the atoms relax to the equilibrium state in an exponential fashion. Then, the atoms become equilibrated with the surface and depart from the surface with a converged desorption rate. Two parameters are proposed to characterize the process: the characteristic energy relaxation time and the equilibrium residence time. At the relaxation stage, the desorption rate varies with the energy, and the probability distribution function (PDF) of the residence time obeys a power law. At the equilibrium state, the desorption rate is invariable, and the PDF of the residence time decays exponentially. We further find that the desorption rate for both stages can be calculated by a consistent Arrhenius equation, with the desorption activation energy and kinetic energy evolving with time in the relaxation stage. It appears that the gas–surface interaction dynamics can be explained by trapping-desorption theory in both the relaxation state and the equilibration state.

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Section: Introductionmentioning

confidence: 99%