Abstract
Using the integral equation of the theory of liquids, we discuss structural properties of highly supercooled soft-sphere liquids. Two different thermodynamic self-consistent (TC) integral equations, i.e., the Rogers-Young equation and the reference hypernetted-chain equation, have been tested for highly supercooled liquids. According to these results, we propose a new modified hypernetted-chain integral equation for highly supercooled liquids (MHNCS). The bridge function of the MHNCS equation is approximated by an appropriate interpolation of the bridge function of the Percus-Yevick hard-sphere model and that of the leading elementary diagram. We have obtained solutions of the MHNCS equation for sixth and twelveth inverse power potentials (soft-sphere model). Below the freezing point, the PDF calculated from the MHNCS approximation is found to show a splitting of the second peak, which is compatible with the results of computer simulations, while the TC equations show no such a splitting.
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 callDisclaimer: 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.
