Effects of surface topography on the collective diffusion of interacting adsorbed particles
Collective diffusion of particles with repulsive nearest-neighbor interactions on bivariate surfaces is studied through Monte Carlo simulation, in the framework of the Kubo–Green theory. Shallow and deep adsorbing sites form l×l patches distributed at random or in chessboard-like ordered domains on...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2014 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/5651 |
| Acceso en línea: | http://hdl.handle.net/11336/5651 |
| Access Level: | acceso abierto |
| Palabra clave: | Difussion Adsorption Heterogeneous Surfaces Monte Carlo Simulations https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| Sumario: | Collective diffusion of particles with repulsive nearest-neighbor interactions on bivariate surfaces is studied through Monte Carlo simulation, in the framework of the Kubo–Green theory. Shallow and deep adsorbing sites form l×l patches distributed at random or in chessboard-like ordered domains on a two-dimensional square lattice. The influence of the energetic correlation and the lateral interactions on the jump and collective diffusion coefficients are analyzed by simulating the coverage fluctuations in the grand canonical ensemble and the mean-square displacements of particles in the canonical ensemble. The combination of topography and lateral coupling is shown to produce interesting effects such as different filling regimes as well as strong effects on the coverage dependence of the transport coefficients. |
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