Filters

2011 - 20173

More filters

2019 - 201922020 - 20221
Reset filters

Settings

Subject: interface kinetics ×

Search Results

Now showing 1 - 3 of 3
  • Thumbnail Image
    Item
    Anisotropic solid-liquid interface kinetics in silicon: An atomistically informed phase-field model
    (Bristol : IOP Publ., 2017) Bergmann, S.; Albe, K.; Flege, E.; Barragan-Yani, D.A.; Wagner, B.
    We present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid–solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger–Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel–Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt.
  • Thumbnail Image
    Item
    A gradient structure for systems coupling reaction-diffusion effects in bulk and interfaces
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2011) Glitzky, Annegret; Mielke, Alexander
    We derive gradient-flow formulations for systems describing drift-diffusion processes of a finite number of species which undergo mass-action type reversible reactions. Our investigations cover heterostructures, where material parameter may depend in a nonsmooth way on the space variable. The main results concern a gradient flow formulation for electro-reaction-diffusion systems with active interfaces permitting drift-diffusion processes and reactions of species living on the interface and transfer mechanisms allowing bulk species to jump into an interface or to pass through interfaces. The gradient flows are formulated in terms of two functionals: the free energy and the dissipation potential. Both functionals consist of a bulk and an interface integral. The interface integrals determine the interface dynamics as well as the self-consistent coupling to the model in the bulk. The advantage of the gradient structure is that it automatically generates thermodynamically consistent models.
  • Thumbnail Image
    Item
    Anisotropic solid-liquid interface kinetics in silicon: An atomistically informed phase-field model
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2017) Bergmann, Sibylle; Barragan-Yani, Daniel A.; Flegel, Elke; Albe, Karsten; Wagner, Barbara
    We present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid-solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger-Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel-Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt.