Self-diffusion of nanoscale particles with hard and soft sphere models

The diffusion of particles in suspension is investigated by a thermostat based on fluctuating hydrodynamics for dynamic simulations of implicit-solvent coarse-grained model which can take into account both hydrodynamic and Brownian effects. Particles with cut-and-shifted Lennard-Jones and Gaussian-core potential are studied. The results show that their diffusion process can be characterized by three regimes: ballistic motion, short-time...