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Short-range order (SRO) in Fe-rich Fe-Cr alloys is investigated by means of atomistic off-lattice Monte Carlo simulations in the semi-grand canonical ensemble using classical interatomic potentials. The SRO parameter defined by Cowley…

材料科学 · 物理学 2010-09-03 Paul Erhart , Alfredo Caro , Magdalena Serrano de Caro , Babak Sadigh

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

Distribution of Cr atoms in Fe_{100-x}Cr_x alloys with x \le 25 within the first two coordination shells, 1NN-2NN, around probe 57Fe atoms was studied by means of the M\"ossbauer Spectroscopy. Clear evidence was found that the distribution…

材料科学 · 物理学 2015-05-20 S. M. Dubiel , J. Cieslak

Effect of He ion irradiation on three model Fe(100-x)Cr(x) alloys (x =5.8, 10.75 and 15.15) was investigated with the conversion electron M\"ossbauer spectroscopy. The study of the alloys irradiated with 25 keV ions revealed that the…

材料科学 · 物理学 2014-11-21 S. M. Dubiel , J. Cieslak , H. Reuther

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…

Short-range order (SRO) in disordered alloys is typically interpreted as competition between chemical effect of negative (or positive) energy gain by mixing constituent elements and geometric effects comes from difference in effective…

无序系统与神经网络 · 物理学 2018-05-24 Koretaka Yuge

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,…

材料科学 · 物理学 2025-07-08 Tianyu Su , Brian J. Blankenau , Namhoon Kim , Jessica A. Krogstad , Elif Ertekin

Hydrogen embrittlement (HE) in austenitic stainless steels is advanced by hydrogen enhanced localized plasticity (HELP), typically accompanied by a transition from homogeneous to localized slip. Short-range order (SRO) in face-centered…

Electronic-structure methods based on density-functional theory (DFT) were used to directly quantify the effect of chemical short-range order (SRO) on thermodynamic, structural, and electronic properties of archetypal face-centered-cubic…

材料科学 · 物理学 2023-05-16 Will Morris , Duane D. Johnson , Prashant Singh

Recent developments in the percolation theory of passivation have shown that chemical short-range order (SRO) affects the aqueous passivation behavior of alloys. However, there has been no systematic exploration to quantify these SRO…

材料科学 · 物理学 2025-12-22 Abhinav Roy , Karl Sieradzki , Michael J. Waters , James M. Rondinelli , Ian D. McCue

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…

材料科学 · 物理学 2024-06-21 Killian Sheriff , Yifan Cao , Tess Smidt , Rodrigo Freitas

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

A Fe89.15Cr10.75 alloy in a heavily strained (by cold rolling) and strain-relaxed states was studied by means of the conversion electrons M\"ossbauer spectroscopy (CEMS). Analysis of the spectra in terms of a two-shell model revealed…

材料科学 · 物理学 2017-11-23 S. M. Dubiel , J. Zukrowski

Chemical short-range order (SRO) refers to preference or avoidance between neighboring atomic species, which significantly impacts the properties of advanced alloys. However, quantifying and further controlling SRO remains a major…

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

The effect of He-ion irradiation on a short-range ordering in model Fe100-xCrx (x=5.8, 10.75, 15.15) was studied by means of conversion electrons Mossbauer spectroscopy. The alloys were irradiated to the dose of 7.5 dpa with ions of 0.25…

材料科学 · 物理学 2016-10-28 Stanislaw M. Dubiel , Jan Żukrowski , Yves Serruys

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…

The time evolution of diffuse X-ray scattering intensities conditioned by the short-range order (SRO) in Ni-Mo solid solutions is investigated. As shown, the transition from a quenched (nonequilibrium) state to the equilibrium one is…

材料科学 · 物理学 2014-06-12 S. M. Bokoch , M. P. Kulish , V. A. Tatarenko , T. M. Radchenko

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

We use inelastic neutron scattering and molecular dynamics (MD) simulation to investigate the chemical short range order (CSRO), visible through prepeaks in the structure factors, and its relation to self diffusion in Al-Ni melts. As a…

无序系统与神经网络 · 物理学 2009-11-11 S. K. Das , J. Horbach , M. M. Koza , S. Mavila Chatoth , A. Meyer
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