Scaling Laws and Critical Properties for $FCC$ and $HCP$ Metals

Caroline Desgranges, Leanna Widhalm, Jerome Delhommelle

Published 2021-08-23Version 1

The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically, because of the many-body interactions that take place in metals. Moreover, experiments have shown that these systems exhibit an unusually strong asymmetry of their binodal. Recent theoretical work has led to new similarity laws, based on the calculation of the Zeno line and of the underlying Boyle parameters, which provided results for the critical properties of atomic and molecular systems in excellent agreement with experiments. Using the recently developed Expanded Wang-Landau (EWL) simulation method, we evaluate the grand-canonical partition function, over a wide range of conditions, for $11$ $FCC$ and $HCP$ metals ($Ag$, $Al$, $Au$, $Be$, $Cu$, $Ir$, $Ni$, $Pb$, $Pd$, $Pt$ and $Rh$), modeled with a many-body interaction potential. This allows us to calculate the binodal, Zeno line, Boyle parameters and, in turn, obtain the critical properties for these systems. We also propose two scaling laws for the enthalpy and entropy of vaporization, and identify critical exponents of $0.4$ and $1.22$ for these two laws, respectively.