Abstract

Previously published Monte Carlo molecular-dynamics data on the velocity autocorrelation function of the hard-sphere fluid are supplemented by data for the time-dependent transport coefficient to yield estimates for the self-diffusion coefficient throughout the fluid regime, from 25 to 1.6 times the close-packed volume. The dependence on system size is explored through results for 108--4000 particles. It is found essential to include long-time contributions to the Green-Kubo integral based on the previously validated mode-coupling theory. It is shown that the calculations of Easteal, Woolf, and Jolly [Physica 121A, 286 (1983)] fall significantly below the current estimates, which are in qualitative agreement with the Alder, Gass, and Wainwright [J. Chem. Phys. 53, 3813 (1970)] values.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.