From microscopic interactions to macroscopic laws of cluster evolution

We derive macroscopic governing laws of growth velocity, surface tension, mobility, critical nucleus size, and morphological evolution of clusters, from microscopic scale master equations for a prototype surface reaction system with long range adsorbate-adsorbate interactions.

Derivation and validation of mesoscopic theories for diffusion of interacting molecules

A mesoscopic theory for diffusion of molecules interacting with a long-range potential is derived for Arrhenius microscopic dynamics. Gradient Monte Carlo simulations are presented on a one-dimensional lattice to assess the validity of the mesoscopic theory. Results are compared for Metropolis and Arrhenius microscopic dynamics. Non-Fickian behavior is demonstrated and it is shown that microscopic dynamics dictate the steady-state concentration profiles.