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In high-entropy alloys (HEAs), the local chemical fluctuations from disordered solute solution state into segregation, precipitation and ordering configurations are complex due to the large number of elements. In this work, the cluster…

Materials Science · Physics 2017-05-05 A. Fernandez-Caballero , J. S. Wrobel , P. M. Mummery , D. Nguyen-Manh

The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…

We investigate the formation of long-period stacking ordered (LPSO) structure for Mg-Y-Zn ternary alloys based on the short-range order (SRO) tendency of energetically competitive disordered phases. We find that unisotropic SRO tendencies…

Materials Science · Physics 2016-11-10 Koretaka Yuge , Hisashi Miyazono , Ryohei Tanaka , Tetsuya Taikei , Kazuhito Takeuchi

To investigate the formation of Mg-based long-period stacking ordered (LPSO) structure, we systematically study the preference of the short-range order (SRO) in metastable disordered phases of Mg-RE-Zn (RE = Y, La, Er, Ho, Dy, Tb) and…

Materials Science · Physics 2016-11-10 Ryohei Tanaka , Koretaka Yuge

This paper studies short-range order (SRO) in the semiconductor alloy (GaN)$_{1-x}$(ZnO)$_x$. Monte Carlo simulations performed on a density functional theory (DFT)-based cluster expansion model show that the heterovalent alloys exhibit…

Materials Science · Physics 2016-06-03 Jian Liu , Maria V. Fernández-Serra , Philip B. Allen

Local lattice distortion (LLD) of refractory high-entropy alloys (RHEAs) plays an essential role in mechanical properties and phase stability. However, the random distribution of multi-principal constituents of RHEAs inhibits the…

Materials Science · Physics 2024-10-24 Zhiling Luo , Wang Gao , Qing Jiang

We investigate the short-range order (SRO) and phase stability of the equiatomic CoCrFeMnNi high-entropy alloy using cluster expansion supplemented by an eigen-decomposition analysis of the SRO parameters. Our results reveal that the…

Materials Science · Physics 2026-05-19 Wei Chen , Gian-Marco Rignanese , Geoffroy Hautier

An equimolar NiCoFeCrGa high entropy alloy having dual-phase homogeneous components was studied, where the constituent phases exhibit distinct mechanical properties. Micropillars with various diameters were created from two differently heat…

Nitrogen (N) is a key alloying element that enhances the performance of Fe-Ni-Cr austenitic stainless steels, improving austenite stability, corrosion resistance, and yield strength. However, the role of N in modifying chemical ordering,…

Materials Science · Physics 2025-07-08 Tianyu Su , Brian J. Blankenau , Namhoon Kim , Jessica A. Krogstad , Elif Ertekin

Researchers attributed the orderly arranged nanoscale phases observed in many multi-principal element alloys (MPEAs) to spinodal/spinodal-mediated phase transformation pathways. However, spinodal decomposition is not well understood in…

Materials Science · Physics 2023-04-14 Kamalnath Kadirvel , Shalini Roy Koneru , Yunzhi Wang

Metallic alloys often form phases - known as solid solutions - in which chemical elements are spread out on the same crystal lattice in an almost random manner. The tendency of certain chemical motifs to be more common than others is known…

Materials Science · Physics 2024-06-21 Killian Sheriff , Yifan Cao , Tess Smidt , Rodrigo Freitas

The current interest in compositionally complex alloys including so called high entropy alloys has caused renewed interest in the general problem of solute hardening. It has been suggested that this problem can be addressed by treating the…

Materials Science · Physics 2021-09-17 Michael Zaiser , Ronghai Wu

Ni-W based medium heavy alloys offer a promising pathway to bridge the density-strength gap between tungsten heavy alloys and ultrahigh-strength steels. In this study, the effects of W concentration on short-range order (SRO), deformation…

We provide strong numerical evidence for a hidden multihyperuniform long-range order (MHLRO) in SiGeSn medium-entropy alloys (MEAs), in which the normalized infinite-wavelength composition fluctuations for all three atomic species are…

Materials Science · Physics 2021-11-23 Duyu Chen , Xinyu Jiang , Duo Wang , Houlong Zhuang , Yang Jiao

We investigate the effect of short-range order (SRO) on the electronic structure in alloys from the theoretical point of view using density of states (DOS) data. In particular, the interaction between the atoms at different lattice sites is…

Precipitation strengthening is one of the most effective methods to design alloys with the desired combination of strength and ductility. The main mechanism of strengthening is generally known to be the interaction between dislocations and…

Materials Science · Physics 2018-09-05 Amirreza Keyhani

Many of the purported virtues of Multi-Principal Element Alloys (MPEAs), such as corrosion, high-temperature oxidation and irradiation resistance, are highly sensitive to vacancy diffusivity. Similarly, solute interdiffusion is governed by…

Materials Science · Physics 2020-03-18 Spencer L. Thomas , Srikanth Patala

High entropy alloys gained significant scientific interest in recent years due to their enhanced mechanical properties including high yield strength combined with outstanding ductility. The strength of these materials originates from their…

Materials Science · Physics 2025-07-29 Dénes Berta , Péter Dusán Ispánovity

Multi-principal element alloys (MPEAs) can potentially offer exceptional material properties, but their complex, costly manufacturing limits their scalability. Chemical complexity and complex manufacturing processes lead to the formation of…

Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…

Materials Science · Physics 2026-05-27 Frederic Sansoz , Eve-Audrey Picard