Intermetallics最新文献

{"title":"Unraveling thermal evolution and anisotropy in BCC TiVNbMo high entropy alloy via in situ XRD and first-principles simulations","authors":"S.A. Uporov ,&nbsp;V.S. Gaviko ,&nbsp;V.G. Pushin ,&nbsp;L.A. Cherepanova ,&nbsp;E.O. Khazieva ,&nbsp;V.A. Bykov ,&nbsp;N.N. Katkov ,&nbsp;R.E. Ryltsev","doi":"10.1016/j.intermet.2025.109092","DOIUrl":"10.1016/j.intermet.2025.109092","url":null,"abstract":"<div><div>The foundational concept of high-entropy alloys (HEAs) posits that enhanced configurational entropy serves as the dominant factor stabilizing single-phase solid solutions in concentrated metallic systems. However, extensive experimental studies reveal significant contradictions to this paradigm — the presence of multiple constituent elements neither guarantees single-phase formation nor ensures exceptional thermal stability. These alloys, typically synthesized via arc-melting techniques, actually represent metastable high-temperature phases that exhibit instability under varying thermal conditions. Despite their metastable nature, such non-equilibrium crystalline structures demonstrate remarkable functional properties compared to conventional materials, driving substantial interdisciplinary research interest from both fundamental and applied perspectives. Prior to practical implementation, comprehensive thermal characterization across wide temperature ranges becomes essential to evaluate their structural integrity and potential functionality. This investigation systematically examines thermal evolution and crystalline anisotropy effects in the body-centered cubic (BCC) phase of TiVNbMo HEA through complementary approaches: <em>in situ</em> high-temperature X-ray diffraction experiments and advanced first-principles atomistic simulations employing graph neural network-based universal interatomic potentials. Our results demonstrate that the quenched BCC structure remains stable only up to 770 K, beyond which the alloy undergoes successive structural transformations. A particularly significant finding concerns anomalous anisotropic thermal expansion behavior of the BCC phase along different crystallographic axes. This unexpected phenomenon in a cubic system arises from the combined effects of lattice defectivity and pronounced elastic anisotropy, which likely contribute to the material’s thermal instability. Using a semi-quantitative model that combines quasi-harmonic lattice dynamics with anharmonic contributions of higher order, we demonstrate that elastic softness directly enhances thermal expansion along specific crystallographic axes. These observations provide new insights into the fundamental relationships between structural defects, elastic anisotropy, and thermal stability in complex concentrated alloys.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109092"},"PeriodicalIF":4.8,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of microstructural evolution in NiAl-Steel laminate composite after shock wave loading and heat treatment","authors":"A. Yu Malakhov ,&nbsp;S.A. Seropyan ,&nbsp;I.V. Denisov ,&nbsp;I.V. Saikov ,&nbsp;D.V. Shakhray","doi":"10.1016/j.intermet.2025.109097","DOIUrl":"10.1016/j.intermet.2025.109097","url":null,"abstract":"<div><div>The paper presents a comparative study of two methods for the fabrication of Ni/Al-based metal-intermetallic laminate (MIL) composites within a steel matrix: shock wave loading (SWL) and a combined SWL/heat treatment (HT) method. Initiating the reaction in self-propagating high-temperature synthesis (SHS) mode under shock wave loading resulted in the formation of an intermetallic layer (IL) with an average microhardness of 500 HV. This IL exhibited both non-uniform thickness and cracking. The reaction initiated at the sample's end, where conditions conducive to SHS were established, and then propagated towards the top. At the top of the sample, the reaction products were quenched because heat removal exceeded heat generation. The two-step SWL/HT method ensured the formation of a multiphase IL (NiAl, Ni₂Al₃, Ni₃Al) without cracks, but it was accompanied by gas evolution, causing deformation and delamination. The microhardness varied from 370 to 850 HV, with an average of 530 HV. Optimizing the process by removing gases maintained the interface's integrity but resulted in localized transverse cracks. The average microhardness of the IL was 590 HV, with a range of 450–900 HV. The heating rate during HT significantly affected the completeness of the transformation: slow heating (11.5 °C/min) promoted more complete NiAl formation compared to rapid heating (23 °C/min). Recommendations for minimizing defects in each method were developed. The results obtained are of interest for fabricating composites with improved mechanical and thermal properties, which are in demand in the aerospace and energy industries.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109097"},"PeriodicalIF":4.8,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Microstructure and wear properties of (AlxCoCrFeNi)N0.5 dual-phase high-entropy alloy thin films prepared by magnetron sputtering","authors":"Yupeng Cao ,&nbsp;Yingxian Ma ,&nbsp;Shicheng Wei ,&nbsp;Bo Wang ,&nbsp;Haidong Bao ,&nbsp;Yujiang Wang ,&nbsp;Rui Zhou","doi":"10.1016/j.intermet.2025.109067","DOIUrl":"10.1016/j.intermet.2025.109067","url":null,"abstract":"<div><div>The microstructure and wear properties of (Al_xCoCrFeNi)N_0.5 (x = 0.3, 0.5, 0.7) high-entropy alloy thin films deposited on the surface of E690 steel by magnetron sputtering were investigated herein. Transmission electron microscopy combined with energy-dispersive spectroscopy was employed to analyze the microstructural evolution and formation mechanisms. Scanning electron microscopy was coupled with nanoindentation and friction-wear tests to evaluate the effects of the microstructure on the properties (i.e., hardness, elastic modulus, friction coefficient, and wear rate). Finally, a conceptual model of the underlying physical phenomena was proposed to illustrate the observations and explain the relationship between the microstructure and wear properties. The results indicated that increasing the Al content promotes amorphous transformation in the films. When x = 0.5, the film exhibited a nanocrystalline-amorphous dual-phase structure, which alleviated agglomeration and promoted film growth. The (Al_0.5CoCrFeNi)N_0.5 film exhibited the highest average thickness (2.73 μm), as well as the highest hardness and elastic modulus (9.54 and 187.76 GPa, respectively), at this time, the wear performance is also the best, and the friction coefficient and wear rate are 0.101 and 0.739 × 10⁻¹⁵ m³/(N·m) respectively, which are reduced by 64.4 % and 54.4 % compared with the substrate; under the given deposition conditions. Ultimately, an appropriate mixture of nanocrystalline and amorphous regions can hinder dislocation movement and grain rotation, inhibit grain boundary sliding, and improve the wear resistance of the film. The research results provide insights for the preparation of dual-phase high-entropy alloy thin films with high wear resistance.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109067"},"PeriodicalIF":4.8,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of mechanical training on Ni-Mn-Ga-Cu-B porous shape memory alloy","authors":"Kunyu Wang ,&nbsp;Zhiqiang Wang ,&nbsp;Yunlong Li ,&nbsp;Jie Zhu","doi":"10.1016/j.intermet.2025.109096","DOIUrl":"10.1016/j.intermet.2025.109096","url":null,"abstract":"<div><div>Ni-Mn-Ga-Cu-B porous alloy was prepared via powder metallurgy using NaCl as a pore-forming agent. The influence of mechanical training on the phase transformation behavior of porous shape memory alloy was studied. The results revealed that cyclic compression induced residual martensite phases and saturated dislocations in the porous alloy, reducing the incompatibility between martensite and austenite. Higher applied stresses promoted the formation of martensite phases with c-axes perpendicular to the stress direction. The interplay between stress distribution during compression and phase transformation mechanisms were systematically explored.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109096"},"PeriodicalIF":4.8,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase stability in a SiC/Mo5SiB2 (T2) diffusion couple at 1700 °C","authors":"J.R. Becker ,&nbsp;L. Liu ,&nbsp;C. Zhang ,&nbsp;M. Niezgoda ,&nbsp;J.H. Perepezko","doi":"10.1016/j.intermet.2025.109100","DOIUrl":"10.1016/j.intermet.2025.109100","url":null,"abstract":"<div><div>To evaluate the phase stability, a diffusion couple experiment of Mo₅SiB₂ (T₂) and SiC in contact was conducted at 1700 °C for 150 h. The post-anneal bonded interface was examined by high-resolution scanning transmission electron microscopy (STEM). The results show no formation of other compounds and minimal interdiffusion between the two phases, indicating that T₂ and SiC are in thermodynamic equilibrium. A CALPHAD model phase diagram of T₂ in contact with SiC shows the predicted formation of MoB, Mo₂BC, and Mo₅Si₃C phases that were not seen. The discrepancy between the model prediction and the observed equilibria was due to the T₂ phase being treated as a line compound, when it really contains a homogeneity range. When accounting for the T₂ compositional variance, the model matched the experimental results. This was further confirmed by annealing a Mo-Si-B-C alloy at 1700 °C for 150 h, which showed a microstructure of T₂, SiC, Mo₅Si₃C, and MoB phases that matched the predicted phase equilibria in the improved thermodynamic model.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109100"},"PeriodicalIF":4.8,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the mechanism underlying hydrogen storage improvement in TiZrNbCrFe high-entropy alloy via (Ti,Nb)/(Cr,Fe) stoichiometric ratio control","authors":"Sibo Wang ,&nbsp;Hongkui Zhang ,&nbsp;Zhen Wen ,&nbsp;Yue Li ,&nbsp;Tong Zhang ,&nbsp;Yingdong Qu ,&nbsp;Guanglong Li","doi":"10.1016/j.intermet.2025.109053","DOIUrl":"10.1016/j.intermet.2025.109053","url":null,"abstract":"<div><div>TiZrNbCrFe is mainly composed of C14 Laves phase and has good kinetic performance. However, due to the low content of BCC phase, the maximum hydrogen storage capacity of this alloy is relatively low. To address the issue of low maximum hydrogen storage capacity of alloys, in this paper, high-entropy alloys (TiNb)_20+xZr₂₀(FeCr)_20-x (x = 0,5,10,15) were prepared by adjusting the ratio of type a elements (Ti, Nb) to type b elements (Cr, Fe). The results show that the proportion of BCC phase increases from 21.34 % to 92.52 % by adding Ti and Nb elements. The active hydrogen absorption and peak hydrogen storage capacity of the alloy are the best when the proportion of BCC phase is 86.92 %, that is, Ti₃₀Nb₃₀Zr₂₀Fe₁₀Cr₁₀ alloy. The first activation hydrogen absorption capacity of this alloy is as high as 1.88 wt %, which is 1.29 wt % higher than that of TiZrNbCrFe alloy. When the hydrogen pressure is 3 MPa and the temperature is 100 °C, the saturated hydrogen absorption is 2.04 wt %, which is 0.9 wt % higher than that of TiZrNbCrFe alloy. With the increase of Ti and Nb content, the dehydrogenation temperature increases from 218 °C to 419 °C, the stability of the hydride increases, and the difficulty of dehydrogenation increases. This paper provides a design idea for the composition control of high-entropy hydrogen storage materials.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109053"},"PeriodicalIF":4.8,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced Fenton-like catalytic performance of Fe-based metallic glass by nitrogen microalloying","authors":"Lansong Yang ,&nbsp;Peixin Fu ,&nbsp;Chen Yang,&nbsp;Shixin Tan,&nbsp;Shun-Xing Liang,&nbsp;Yuanzheng Yang","doi":"10.1016/j.intermet.2025.109099","DOIUrl":"10.1016/j.intermet.2025.109099","url":null,"abstract":"<div><div>Metallic glasses (MGs) have attracted extensive attention in functional applications due to their long-range disordered atomic arrangement, making them as promising Fenton-like catalysts for wastewater treatment. However, due to the compositional limitations imposed by glass-forming ability, promoting catalytic degradation ability of MGs while retaining their disordered structure becomes challenging in alloy design. Inspired by the regulation function of electronic structure combined with atomic size-dependent structural disordering by nitrogen (N), herein, the microalloying of 0.2 at.% N in Fe₇₈Si₉B₁₃ MG is reported to show a significantly improved catalytic efficiency and stability for the degradation of rhodamine B (RhB) dye. Mechanistic investigations suggest that N microalloying effectively regulates the electron transfer efficiency and suppresses the surface coverage of oxides on Fe₇₈Si₉B₁₃ MG, thereby exposing abundant active sites (Fe⁰) for degradation reaction. In addition, the refinement of post-reaction surface products contributes to a strong diffusion and capture of reactants (e.g. H₂O₂ and dye molecules), facilitating the H₂O₂ activation and radical generation for enhanced degradation stability. This study provides a new perspective for material design in MG catalysts.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"189 ","pages":"Article 109099"},"PeriodicalIF":4.8,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The regulatory effect of Nb element on the oxidation performance and microstructure of AlCoCrFeNi2.1 high-entropy alloy","authors":"Yinghui Dong ,&nbsp;Zhaobing Cai ,&nbsp;Juanjuan Hu ,&nbsp;Bingxu Wang ,&nbsp;Mengmeng Liu ,&nbsp;Le Gu","doi":"10.1016/j.intermet.2025.109091","DOIUrl":"10.1016/j.intermet.2025.109091","url":null,"abstract":"<div><div>In this study, an AlCoCrFeNb_0.4Ni_2.1 high-entropy alloy sample (HEAs) was developed to investigate the influence of Nb addition on the microstructure and high-temperature oxidation behavior of the AlCoCrFeNi_2.1 HEAs. The as-cast AlCoCrFeNi_2.1 HEAs exhibited a layered eutectic microstructure consisting of FCC and BCC phases. Upon the addition of 0.4 mol of Nb, grain refinement of both FCC and BCC phases was observed, along with an increase in the volume fraction of the BCC phase. Additionally, a (Fe, Cr, Co)₂Nb-type Laves phase was formed, and FCC precipitates were detected within the BCC matrix. Isothermal oxidation tests conducted at 800 °C for durations ranging from 5 to 50 h demonstrated that the AlCoCrFeNb_0.4Ni_2.1 HEAs exhibited superior oxidation resistance compared to the AlCoCrFeNi_2.1 HEAs. Specifically, the former showed a lower weight gain and a slower growth rate of the oxidation layer (4.81 μm after 50 h, compared to 6.48 μm for the latter). The primary oxidation products of AlCoCrFeNi_2.1 HEAs were Al₂O₃, accompanied by minor amounts of Fe₂O₃ and Cr₂O₃. In contrast, the AlCoCrFeNb_0.4Ni_2.1 HEAs formed a dense composite oxide layer composed of Cr₂O₃-Nb₂O₅ due to the presence of Nb. This research provides a novel approach for the design of materials suitable for high-temperature industrial applications.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"188 ","pages":"Article 109091"},"PeriodicalIF":4.8,"publicationDate":"2025-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145620413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unravelling phase evolutions in gas atomized CoCrFeNiTi high-entropy alloy powders","authors":"Rasim Eriş ,&nbsp;Ashok Meghwal ,&nbsp;Richard F. Webster ,&nbsp;Christopher C. Berndt ,&nbsp;Andrew Siao Ming Ang ,&nbsp;Paul Munroe","doi":"10.1016/j.intermet.2025.109017","DOIUrl":"10.1016/j.intermet.2025.109017","url":null,"abstract":"<div><div>In the CoCrFeMnNi ‘Cantor’ high-entropy alloy (HEA), the substitution of Mn with the larger atomic radius element Ti, together with the rapid cooling rates achieved through gas atomization, results in intriguing phase transformations. This study presents a comprehensive microstructural analysis of gas atomized CoCrFeNiTi HEA powders, along with an evaluation of their nano-hardness properties. The predominantly spherical and homogeneous powders feature dendritic/interdendritic solidification, with Cr and Fe concentrating in the dendrites, while Ni and Ti segregate into the interdendrites. In contrast, Co shows more uniform distribution throughout the powders. Within the dendrites, two distinct phases—tetragonal σ and rhombohedral R—are identified, as their lattice structures undergo symmetry modifications due to elemental distributions and lattice distortions. In addition, the interdendritic region contains B2, B19' (or a variant), and R phases, displaying martensitic transformations. Exhibiting remarkable nano-hardness performance, this HEA feedstock holds significant potential for manufacturing technologies such as thermal spray.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"188 ","pages":"Article 109017"},"PeriodicalIF":4.8,"publicationDate":"2025-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145620414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure and hydrogen storage properties of AB2-type (A = Ti, Zr; B = Cr, Mn, Fe, Co, Ni) C14 Laves phase high-entropy alloys","authors":"Bingjie Liu ,&nbsp;Hanfeng Sun ,&nbsp;Shihai Guo ,&nbsp;Zhenyu Hou ,&nbsp;Xing Mu ,&nbsp;Lihong Xu ,&nbsp;Dongliang Zhao","doi":"10.1016/j.intermet.2025.109089","DOIUrl":"10.1016/j.intermet.2025.109089","url":null,"abstract":"<div><div>The development of high-entropy alloys (HEAs) for hydrogen storage is hopeful for addressing critical limitations of conventional metal hydrides, such as high activation barriers, limited capacity, and poor cycling stability. Here, we report the novel AB₂-type (A = Ti, Zr; B = Cr, Mn, Fe, Co, Ni) C14 Laves phase HEAs, namely TiZrCrFeCoNi, TiZrCrMnFeCo, and TiZrCrMnFeNi, integrating thermodynamic calculations, arc-melting synthesis, microstructural characterization, hydrogen storage testing, and first-principles calculations. It is shown TiZrCrFeCoNi has very low affinity for hydrogen, which is mainly attributed to the relatively small cell volume. TiZrCrMnFeCo is able to absorb and release 0.94 wt% hydrogen rapidly at room temperature after a 400 °C thermal activation. Replacing Co with Ni atoms has a significant effect of improving hydrogen storage capacity. Strikingly, TiZrCrMnFeNi alloy, with outstanding kinetic and excellent cycling performance, can reversibly absorb and desorb hydrogen at room temperature with a capacity of 1.66 wt% without any activation treatment. Additionally, the ground-state structural and electronic properties of AB₂-type HEAs were clarified by first-principles calculations.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"188 ","pages":"Article 109089"},"PeriodicalIF":4.8,"publicationDate":"2025-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}