Non-Fickian Interdiffusion of Dynamically Asymmetric Species: A Molecular Dynamics Study

Abstract

We use Molecular Dynamics combined with Dissipative Particle Dynamics to construct a model of a binary mixture where the two species differ only in their dynamic properties (friction coefficients). For an asymmetric mixture of slow and fast particles we study the interdiffusion process. The relaxation of the composition profile is investigated in terms of its Fourier coefficients. While for weak asymmetry we observe Fickian behavior, a strongly asymmetric system exhibits clear indications of anomalous diffusion, which occurs in a crossover region between the Cases I (Fickian) and II (sharp front moving with constant velocity), and is close to the Case II limit.