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Short-range ordering (SRO) tendency for disordered alloys is considered as competition between chemical ordering and geometric (mainly, difference in atomic radius for constituents) effects. Especially for multicomponent (including the…

材料科学 · 物理学 2019-05-22 Koretaka Yuge , Shouno Ohta

Traditional metallic alloys are mixtures of elements where the atoms of minority species tend to distribute randomly if they are below their solubility limit, or lead to the formation of secondary phases if they are above it. Recently, the…

Using an all-electron, first principles, Landau-type theory, we study the nature of short-range order and compositional phase stability in equiatomic refractory high entropy alloys, NbMoTa, NbMoTaW, and VNbMoTaW. We also investigate…

材料科学 · 物理学 2024-03-13 Christopher D. Woodgate , Julie B. Staunton

Thermomechanical processing alters the microstructure of metallic alloys through coupled plastic deformation and thermal exposure, with dislocation motion driving plasticity and microstructural evolution. Our previous work (Islam et al.,…

材料科学 · 物理学 2025-12-25 Mahmudul Islam , Killian Sheriff , Rodrigo Freitas

The chemical short-range order (CSRO) in the crystalline materials influences the properties and its effect is particularly important in the context of the multicomponent materials. We propose a scheme for CSRO parameter or…

材料科学 · 物理学 2022-10-20 G. Anand , Swarnava Ghosh , Markus Eisenbach

Chemical short-range order (CSRO) is believed to be a key contributor to the exceptional properties of multicomponent alloys. However, direct validation and confirmation of CSRO has been highly elusive in most compounds. Recent studies for…

材料科学 · 物理学 2022-11-11 A. Naghdi , F. J. Dominguez-Gutierrez , W. Y. Huo , K. Karimi , S. Papanikolaou

We present a thorough theoretical study of ordering phenomena in nitride ternary alloys GaInN, AlInN, and AlGaN. Using the Monte Carlo approach and energetics based on the Keating model we analyze the influence of various factors on…

材料科学 · 物理学 2015-03-19 Michal Lopuszynski , Jacek A. Majewski

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…

材料科学 · 物理学 2026-05-19 Wei Chen , Gian-Marco Rignanese , Geoffroy Hautier

A redistribution of Cr atoms related to a phase decomposition (PD) caused by an isothermal annealing at 415 C in a 15.15 at%Cr Fe-Cr alloy was studied in an ex-situ way by the conversion electrons M\"ossbauer spectroscopy. Analysis of the…

材料科学 · 物理学 2013-08-23 Stanislaw M. Dubiel , Jan Zukrowski

Refractory multi-principal element alloys (RMPEAs) are promising materials for high-temperature structural applications. Here, we investigate the role of chemical short-range ordering (CSRO) on dislocation glide in two model RMPEAs - TaNbTi…

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…

材料科学 · 物理学 2016-06-03 Jian Liu , Maria V. Fernández-Serra , Philip B. Allen

Equiatomic CoCrNi medium entropy alloys are known for their unique properties linked to chemical short-range order (CSRO), crucial in both percolation processes and/or nucleation and growth processes influencing alloy passivation in aqueous…

The equilibrium short-range order (SRO) in Cu-Pd alloys is studied theoretically. The evolution of the Fermi surface-related splitting of the (110) diffuse intensity peak with changing temperature is examined. The results are compared with…

统计力学 · 物理学 2009-10-31 I. Tsatskis , E. K. H. Salje

To describe chemical ordering in solid solutions systems Warren-Cowley short-range parameters are ordinarily used. However, they are not directly suited for application to long-range ordered systems, as they do not converge to zero for…

化学物理 · 物理学 2016-12-21 Markus Stana , Bogdan Sepiol , Rafal Kozubski , Michael Leitner

Understanding the physical origin of deformation mechanisms in random alloys requires an understanding of their average behavior and, equally important, the role of local fluctuations around the average. Material properties of random alloys…

计算物理 · 物理学 2024-11-08 Max Hodapp

We present theoretical study of ordering phenomena in binary $C_{1-x}B_{x}$, $C_{1-x}N_{x}$ and ternary $B_{x}C_{1-x-y}N_{y}$ alloys forming two-dimensional, graphene-like systems. For calculating energy of big systems (20 000 atoms in the…

介观与纳米尺度物理 · 物理学 2017-01-11 Agnieszka Jamróz , Jacek A. Majewski

An idealized high entropy oxide is characterized by perfect chemical disorder and perfect positional order. In this work, we investigate the extent to which short-range order (SRO) and local structural distortions impede that idealized…

Chemical short-range order (CSRO), a form of nanoscale special atom arrangement, has been found to significantly alter material properties such as dislocation motion and defect dynamics in various alloys. Here, we use Fe-Ni-Cr alloys to…

材料科学 · 物理学 2023-05-19 Hamdy Arkoub , Miaomiao Jin

Multi-principal-element alloys, including high-entropy alloys, experience segregation or partially-ordering as they are cooled to lower temperatures. For Ti$_{0.25}$CrFeNiAl$_{x}$, experiments suggest a partially-ordered B2 phase, whereas…

材料科学 · 物理学 2021-05-11 Prashant Singh , A. V. Smirnov , Aftab Alam , Duane D. Johnson

Short range order is a critical driver of properties (e.g. corrosion resistance and tensile strength) in multicomponent alloys such as complex concentrated alloys (CCAs). Extended x-ray absorption fine structure (EXAFS) is a powerful…