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Updated: Jan 29, 2026

Determination of Thermodynamic Properties of Alkaline Earth-liquid Metal Alloys Using the Electromotive Force Technique
Published on: November 3, 2017
Thermal properties and segregation phenomena in transition metals and alloys: modeling based on modified
Micha Polak1, Leonid Rubinovich1
1Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel.
Abstract:
In spite of free-atom electronic-relaxation contributions to transition-metal cohesive-energies, numerous studies have misused the latter instead of using the solid-state interatomic bond-energy in modeling bulk and surface properties. This work reveals that eliminating the free-atom contributions from experimental cohesive-energies leads to highly accurate linear correlations of the resultant bond-energies with melting temperatures and enthalpies, as well as with inverse thermal-expansion coefficients, specifically for the fcc transition-metals. Likewise, predictions of surface segregation phenomena in Cu-Pd and Au-Pd alloys on the basis of the modified energetics are in much better agreement with reported low-energy ion scattering spectroscopy (LEISS) experimental results, as compared to the use of cohesive-energy values. A last demonstration of the problem and its solution involves the significant impact of the modification on segregation (separation) phase transitions in Cu-Ni model nanoparticles.
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