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

DD Zeng and C Liu and JZ Jiang and J Fan, MATERIALS RESEARCH EXPRESS, 6, 125507 (2019).

DOI: 10.1088/2053-1591/ab550f

In this work, we propose a classical equivalent two-body (ETB) model that can capture more detailed dynamic features arising from energy dissipation and atom oscillations, by introducing the Langevin equation of a harmonic oscillator. The trapping probability, scattering angle and the residence time of Ar interacting with Pt (111) and W (110) surfaces predicted by the ETB model agree well with the measured experimental data or molecular dynamics simulations. Moreover, the ETB model is also used to study the influence of oscillating and dissipating properties on the thermal accommodation coefficients and rainbow scattering of gas atoms colliding with the surface. It is found that the dependence of energy accommodation coefficients and rainbow scattering on the oscillating and dissipating parameters shows nonlinear behaviors, and the associated mechanisms are disclosed. ETB model further provides the possibility to explore the physics beyond the existing two-body models for a better description of energy transferring during atom surface interactions.

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