Diffusion time-scale invariance, randomization processes, and memory effects in Lennard-Jones liquids.

Research paper by Renat M RM Yulmetyev, Anatolii V AV Mokshin, Peter P Hänggi

Indexed on: 20 Dec '03Published on: 20 Dec '03Published in: Physical review. E, Statistical, nonlinear, and soft matter physics


We report the results of calculation of diffusion coefficients for Lennard-Jones liquids, based on the idea of time-scale invariance of relaxation processes in liquids. The results were compared with the molecular dynamics data for the Lennard-Jones system and a good agreement of our theory with these data over a wide range of densities and temperatures was obtained. By calculations of the non-Markovity parameter we have numerically estimated statistical memory effects of diffusion in detail.