Self-diffusion coefficient in the Kob-Andersen model

Spatial correlations in the relaxation of the Kob-Andersen model

– We describe spatio-temporal correlations and heterogeneities in a kinetically constrained glassy model, the Kob-Andersen model. The kinetic constraints of the model alone induce the existence of dynamic correlation lengths, that increase as the density ρ increases, in a way compatible with a double-exponential law. We characterize in detail the trapping time correlation length, the cooperativ...

The nature of geometric frustration in the Kob-Andersen mixture.

Geometric frustration is an approach to the glass transition based upon the consideration of locally favoured structures (LFS), which are geometric motifs which minimise the local free energy. Geometric frustration proposes that a transition to a crystalline state is frustrated because these LFS do not tile space. However, this concept is based on icosahedra which are not always the LFS for a g...

Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model.

We analyze one thousand independent equilibrium trajectories of a system of 155 Lennard-Jones particles to separate in a model-free approach the role of temperature and the role of the explored potential energy landscape basin depth in the particle dynamics. We show that the diffusion coefficient D can be estimated as a sum over contributions of the sampled basins, establishing a connection bet...

Practical model for the self-diffusion coefficient in Yukawa one-component plasmas.

A practical physically motivated interpolation formula is presented for the self-diffusion coefficient in Yukawa one-component plasmas that is valid for a wide range of inverse screening lengths and over the entire fluid region.

Symmetric Simple Exclusion Process: Regularity of the Self Diffusion Coefficient