Journal of Chemical Physics, Vol.119, No.6, 3343-3346, 2003
Molecular dynamics simulation of anomalous self-diffusion for single-file fluids
Anomalous self-diffusion in a single-file fluid under the influence of random background forces has been predicted theoretically for decades, but is far from well understood. In particular, one does not fully comprehend the nature of the random force that is necessary to produce the anomalous self-diffusion. For this reason, a molecular dynamics simulation method that can produce anomalous diffusion will be of interest. We propose, in this paper, a fluid scattering mechanism for particles against the confining wall that will be sufficient to induce anomalous self-diffusion. It is efficient and simple to implement. Molecular dynamics simulations of hard sphere fluids in narrow cylindrical pores are used to demonstrate the new method. (C) 2003 American Institute of Physics.