Journal ArticleDOI
Concentration waves and Fermi surfaces in random metallic alloys
B. L. Gyorffy,G. M. Stocks +1 more
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In this article, it is argued that observed concentration-dependent peaks in the x-ray and electron diffuse scattering intensities are due to parallel sheets of flat Fermi surface.Abstract:
On the basis of a new first-principles, electronic model for the forces driving clustering and short-range order in metallic alloys, it is argued that observed concentration-dependent peaks in the x-ray and electron diffuse scattering intensities are due to parallel sheets of flat Fermi surface. The positions of the peaks are directly related to the spanning vector k/sub 0/.read more
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Journal ArticleDOI
Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications
TL;DR: The KKR-GF method as mentioned in this paper represents the electronic structure of a system directly and efficiently in terms of its single-particle Green's function (GF), which is in contrast to its original version and many other traditional wave-function-based all-electron band structure methods dealing with periodically ordered solids.
Journal ArticleDOI
Tuning element distribution, structure and properties by composition in high-entropy alloys.
Qingqing Ding,Yin Zhang,Xiao Chen,Xiaoqian Fu,Dengke Chen,Sijing Chen,Lin Gu,Fei Wei,Hongbin Bei,Yanfei Gao,Yanfei Gao,Minru Wen,Jixue Li,Ze Zhang,Ting Zhu,Robert O. Ritchie,Robert O. Ritchie,Qian Yu +17 more
TL;DR: Atomic-resolution chemical mapping reveals deformation mechanisms in the CrFeCoNiPd alloy that are promoted by pronounced fluctuations in composition and an increase in stacking-fault energy, leading to higher yield strength without compromising strain hardening and tensile ductility.
Journal ArticleDOI
A first-principles theory of ferromagnetic phase transitions in metals
TL;DR: In this paper, a mean-field theory of magnetic phase transitions in metals was developed based on a spin-polarised density functional description of the electrons, and the average of the electronic grand potential averaged over various ensembles of such'spin' configurations.
Book ChapterDOI
Cluster Approach to Order-Disorder Transformations in Alloys
TL;DR: In this article, the formalism and applications of cluster expansions to the problem of ab initio calculations of thermodynamic properties of crystalline alloys are presented, and a rigorous cluster algebra that is used for systems containing an arbitrary degree of configurational order (or disorder).
Journal ArticleDOI
The ANNNI model — Theoretical analysis and experimental application
TL;DR: The state of the art on the analysis of axial next-nearest neighbor Ising (or ANNNI) models in one, two, and three dimensions is reviewed in this paper.