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Cohesion in alloys - fundamentals of a semi-empirical model
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TLDR
In this article, a semi-empirical model of alloy cohesion involving two material constants for each element is introduced by means of the physical ideas underlying the scheme and the resulting expressions for the heat of formation of binary alloys are presented and their applicability in various extreme situations is discussed.Abstract:
A semi-empirical model of alloy cohesion involving two material constants for each element is introduced by means of the physical ideas underlying the scheme The resulting expressions for the heat of formation of binary alloys are presented and their applicability in various extreme situations is discussed The model is shown to reproduce a vast amount of experimental information on the sign of heats of formation Detailed comparison with experiment for particular classes of alloys will be presented in the sequels to this paperread more
Citations
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Solid‐Solution Phase Formation Rules for Multi‐component Alloys
TL;DR: In this article, the factors of the atomic size difference Delta and the enthalpy of mixing ΔH mιx of the multi-component alloys were summarized from the literatures.
Journal ArticleDOI
Prediction of high-entropy stabilized solid-solution in multi-component alloys
Xiao Yang,Yong Zhang +1 more
TL;DR: In this article, the phase formation for multi-component alloys has been predicted by calculating parameters Ω and δ for typical multichamber alloys reported, where Ω is defined as a parameter of the entropy of mixing timing the average melting temperature of the elements over the enthalpy of mixing, δ is the mean square deviation of the atomic size of elements.
Book
Chemical thermodynamics of uranium
TL;DR: The NEA-TDB data base system as discussed by the authors is used for the extraction of the NEA TDB data set and its associated auxiliary data sets, such as ammonium, oxide, hydride and hydroxide species.
Journal ArticleDOI
AFLOW: An automatic framework for high-throughput materials discovery
Stefano Curtarolo,Wahyu Setyawan,Gus L. W. Hart,Michal Jahnátek,Roman V. Chepulskii,Richard H. Taylor,Shidong Wang,Junkai Xue,Kesong Yang,Ohad Levy +9 more
TL;DR: A flow as discussed by the authors is a software framework for high-throughput calculation of crystal structure properties of alloys, intermetallics and inorganic compounds, which is available for the scientific community on the website of the materials research consortium.
Journal ArticleDOI
The physics and chemistry of the Schottky barrier height
TL;DR: The formation of the Schottky barrier height (SBH) is a complex problem because of the dependence of the SBH on the atomic structure of the metal-semiconductor (MS) interface as mentioned in this paper.
References
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Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.