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- W2079010656 abstract "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." @default.
- W2079010656 created "2016-06-24" @default.
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- W2079010656 date "1990-02-01" @default.
- W2079010656 modified "2023-09-26" @default.
- W2079010656 title "A modified hypernetted-chain integral equation for the supercooled liquid of inverse power potentials" @default.
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- W2079010656 doi "https://doi.org/10.1016/0022-3093(90)90886-q" @default.
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