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Updated: Mar 20, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Scaling Laws and Critical Properties for fcc and hcp Metals
Caroline Desgranges1, Leanna Widhalm1, Jerome Delhommelle1
1Department of Chemistry, University of North Dakota , Grand Forks, North Dakota 58202, United States.
Abstract:
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, and 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.
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