Search results for "macroscopic transport coefficients"

Memory expansion for diffusion coefficients

1998

We present a memory expansion for macroscopic transport coefficients such as the collective and tracer diffusion coefficients ${D}_{C}$ and ${D}_{T},$ respectively. The successive terms in this expansion for ${D}_{C}$ describe rapidly decaying memory effects of the center-of-mass motion, leading to fast convergence when evaluated numerically. For ${D}_{T},$ one obtains an expansion of similar form that contains terms describing memory effects in single-particle motion. As an example we evaluate ${D}_{C}$ and ${D}_{T}$ for three strongly interacting surface systems through Monte Carlo simulations, and for a simple model diffusion system via molecular dynamics calculations. We show that the n…