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Abstract The generalized (wave-vector $$\vec q$$ dependent) diffusion coefficient D( $$\vec q$$ ) is determined for a system of interacting adsorbed particles under non-equilibrium conditions, characterized in particular by the strong gradient of coverage. Our contribution is based on calculations of dynamic structure factor, with Mori’s projection operator method being used to determine D( $$\vec q$$ ). It was shown that the diffusion coefficient depends on the state of the system, even within the limit $$\vec q$$ → 0. The deviations of the Green—Kubo formula D c K (derived for the relaxation of fluctuations around the equilibrium state) from the non-equilibrium results reflect the influence of the gradient of coverage on the collective behavior of adparticles. The diffusion coefficient under non-equilibrium conditions can be higher or less than D c K , depending on the character of atom interaction. In the case of repulsive interaction and the increasing role of the ordering mechanism, these deviations increase with interaction energy or with a decreasing of temperature.
Abstract The generalized (wave-vector $$\vec q$$ dependent) diffusion coefficient D( $$\vec q$$ ) is determined for a system of interacting adsorbed particles under non-equilibrium conditions, characterized in particular by the strong gradient of coverage. Our contribution is based on calculations of dynamic structure factor, with Mori’s projection operator method being used to determine D( $$\vec q$$ ). It was shown that the diffusion coefficient depends on the state of the system, even within the limit $$\vec q$$ → 0. The deviations of the Green—Kubo formula D c K (derived for the relaxation of fluctuations around the equilibrium state) from the non-equilibrium results reflect the influence of the gradient of coverage on the collective behavior of adparticles. The diffusion coefficient under non-equilibrium conditions can be higher or less than D c K , depending on the character of atom interaction. In the case of repulsive interaction and the increasing role of the ordering mechanism, these deviations increase with interaction energy or with a decreasing of temperature.
Dynamics of Interacting Adparticles Under Non-Equilibrium Conditions
Chvoj, Z. (author)
2001-01-01
13 pages
Article/Chapter (Book)
Electronic Resource
English
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