Počet záznamů: 1

Diffusion of particles over dynamically disordered lattice

  1. 1.
    0359396 - FZU-D 2012 RIV GB eng J - Článek v odborném periodiku
    Tarasenko, Alexander - Jastrabík, Lubomír
    Diffusion of particles over dynamically disordered lattice.
    Physical Chemistry Chemical Physics. Roč. 13, č. 6 (2011), s. 2300-2306 ISSN 1463-9076
    Grant CEP: GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002
    Výzkumný záměr: CEZ:AV0Z10100522
    Klíčová slova: diffusion * Monte Carlo simulations * dynamic disordered lattice
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 3.573, rok: 2011

    Using kinetic Monte Carlo simulations we have investigated the diffusion of particles over a lattice with moving atoms in the framework of a simple lattice-gas model of a reconstructive surface. The particle migration over the static and dynamic lattices differs considerably.The dynamic lattice reconstruction changes substantially the particle diffusion coefficient.The Arrhenius dependencies are quantitatively different. An interesting peculiarity of the particle migration is the formation of defectons - local lattice deformations around the adsorbed particles. In certain ranges of the system parameters (jump rates of the substrate atoms and adsorbed particles) the adsorbed particles cause local displacements of the nearest substrate atoms, resulting in deeper adsorption sites and lower jump rates. Such particle self-trapping produces a characteristic minimum on the Arrhenius dependencies.
    Trvalý link: http://hdl.handle.net/11104/0197190