Journal ArticleDOI
Universal features of the equation of state of metals
TLDR
The zero-temperature equation of state of metals, in the absence of phase transitions, was shown to be accurately predicted from zero-pressure data in this article, and a simple universal relation was found.Abstract:
The zero-temperature equation of state of metals, in the absence of phase transitions, is shown to be accurately predicted from zero-pressure data. Upon appropriate scaling of experimental pressure-volume data a simple universal relation is found. These results provide further experimental confirmation of the recent observation that the total-binding-energy---versus---separation relations for metals obey a universal scaling relation. Important to our results is a parameter $\ensuremath{\eta}$, which is a measure of the anharmonicity of a crystal. This parameter is shown to be essential in predicting the equation of state. A simple formula is given which predicts the zero-temperature derivative of the bulk modulus with respect to pressure.read more
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Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys.
TL;DR: A consistent set of embedding functions and pair interactions for use with the embedded-atom method was determined empirically by fitting to the sublimation energy, equilibrium lattice constant, elastic constants, and vacancy-formation energies of the pure metals and the heats of solution of the binary alloys as discussed by the authors.
Journal ArticleDOI
Interatomic Potentials from First-Principles Calculations: The Force-Matching Method
TL;DR: In this article, the authors presented a method based on fitting the potential to ab initio atomic forces of many atomic configurations, including surfaces, clusters, liquids and crystals at finite temperature.
Journal ArticleDOI
The embedded-atom method: a review of theory and applications
TL;DR: The embedded-atom method (EAM) as mentioned in this paper is a semi-empirical method for performing calculations of defects in metals, and it has been shown to provide a very useful and robust means of calculating approximate structure and energetics.
Journal ArticleDOI
Development of new interatomic potentials appropriate for crystalline and liquid iron
TL;DR: In this paper, two procedures were developed to fit interatomic potentials of the embedded-atom method (EAM) form and applied to determine a potential which describes crystalline and liquid iron.
Journal ArticleDOI
Universal features of the equation of state of solids
TL;DR: In this article, it was shown that the equation of state for all classes of solids in compression can be expressed in terms of a universal function, and that the form of this universal function is determined by scaling experimental compression data for measured isotherms of a wide variety of Solids.
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