Modelization of surface diffusion of a molecular dimer

A simple model for a dimer molecular diffusion on a crystalline surface, as a function of temperature, is presented. The dimer is formed by two particles coupled by a quadratic potential. The dimer diffusion is modeled by an overdamped Langevin equation in the presence of a two-dimensional periodic...

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Detalles Bibliográficos
Autores: Romero, A. H., Lacasta Palacio, Ana María, Sancho, José M.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2004
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/18764
Acceso en línea:https://hdl.handle.net/2445/18764
Access Level:acceso abierto
Palabra clave:Física estadística
Termodinàmica
Sistemes dinàmics diferenciables
Matèria condensada
Statistical physics
Thermodynamics
Differentiable dynamical systems
Condensed matter
Descripción
Sumario:A simple model for a dimer molecular diffusion on a crystalline surface, as a function of temperature, is presented. The dimer is formed by two particles coupled by a quadratic potential. The dimer diffusion is modeled by an overdamped Langevin equation in the presence of a two-dimensional periodic potential. Numerical simulation¿s results exhibit some dynamical properties observed, for example, in Si2 diffusion on a silicon [100] surface. They can be used to predict the value of the effective friction parameter. Comparison between our model and experimental measurements is presented.