Pub Date : 2025-11-05DOI: 10.1016/j.scriptamat.2025.117083
Congqing Liu , Baifeng Luan , Rong Hu , Xiaoling Yang , Zizhuang Gu , Tianbo Yu
Understanding recrystallization in Mo-Re alloys is important for their engineering performance. In this study, quasi-in situ EBSD was employed to investigate recrystallization nucleation in rotary-swaged Mo-5 wt.% Re alloys at 1200 °C. Subgrain coarsening is found to be a key mechanism of recrystallization nucleation, either acting alone or in combination with strain-induced boundary migration. Statistical analysis indicates that the boundary migration rate depends on both misorientation and curvature. As a result, small/narrow domains bounded by high-angle boundaries shrink first while their neighbors coarsen. The role of dislocation walls and low-angle boundaries on driving recrystallization, as well as on pinning boundary migrating, is discussed. This work provides new insights into the recrystallization mechanisms of refractory alloys.
{"title":"Quasi-in situ EBSD study of recrystallization nucleation in Mo-5wt.% Re alloy at 1200 °C","authors":"Congqing Liu , Baifeng Luan , Rong Hu , Xiaoling Yang , Zizhuang Gu , Tianbo Yu","doi":"10.1016/j.scriptamat.2025.117083","DOIUrl":"10.1016/j.scriptamat.2025.117083","url":null,"abstract":"<div><div>Understanding recrystallization in Mo-Re alloys is important for their engineering performance. In this study, quasi-in situ EBSD was employed to investigate recrystallization nucleation in rotary-swaged Mo-5 wt.% Re alloys at 1200 °C. Subgrain coarsening is found to be a key mechanism of recrystallization nucleation, either acting alone or in combination with strain-induced boundary migration. Statistical analysis indicates that the boundary migration rate depends on both misorientation and curvature. As a result, small/narrow domains bounded by high-angle boundaries shrink first while their neighbors coarsen. The role of dislocation walls and low-angle boundaries on driving recrystallization, as well as on pinning boundary migrating, is discussed. This work provides new insights into the recrystallization mechanisms of refractory alloys.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117083"},"PeriodicalIF":5.6,"publicationDate":"2025-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474566","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}
Pub Date : 2025-11-04DOI: 10.1016/j.scriptamat.2025.117078
Bo Zhao, Yuhao Li, Jiuchang Zhang, Yamei Sun, Wei Zhang
Enhancing Li₂S cathode conductivity and lowering its activation barrier are critical for lithium-sulfur batteries. Although metal sulfide coatings improve conductivity and kinetics, the progress is limited by the suboptimal orbital orientation in MoS₂. The optimal orbital structure contains unoccupied or partially occupied pz orbitals. We engineer B/C/Si-doped MoS₂ to modulate orbital configurations via density functional theory. Dopants induce orbital hybridization, and generate surface perpendicular unoccupied/half-occupied pz-orbitals. These orbitals maximize head-on overlap with the S pz orbitals of LiPSs, strengthening adsorption and catalyzing both Li₂S decomposition and S8→Li₂S conversion. Consequently, B/C/Si-MoS₂ acts as a dual-functional coating-catalyst synergistically boosting Li₂S electrochemical performance. This orbital-orientation regulation strategy provides fundamental insights for developing advanced lithium-sulfur battery catalysts.
{"title":"Orbital-hybridization-engineered B/C/Si-MoS₂ as high-efficiency catalyst for accelerating sulfur redox kinetics in lithium–sulfur batteries: A DFT study","authors":"Bo Zhao, Yuhao Li, Jiuchang Zhang, Yamei Sun, Wei Zhang","doi":"10.1016/j.scriptamat.2025.117078","DOIUrl":"10.1016/j.scriptamat.2025.117078","url":null,"abstract":"<div><div>Enhancing Li₂S cathode conductivity and lowering its activation barrier are critical for lithium-sulfur batteries. Although metal sulfide coatings improve conductivity and kinetics, the progress is limited by the suboptimal orbital orientation in MoS₂. The optimal orbital structure contains unoccupied or partially occupied <em>p</em>z orbitals. We engineer B/C/Si-doped MoS₂ to modulate orbital configurations via density functional theory. Dopants induce orbital hybridization, and generate surface perpendicular unoccupied/half-occupied <em>p</em><sub>z</sub>-orbitals. These orbitals maximize head-on overlap with the S <em>p</em><sub>z</sub> orbitals of LiPSs, strengthening adsorption and catalyzing both Li₂S decomposition and S<sub>8</sub>→Li₂S conversion. Consequently, B/C/Si-MoS₂ acts as a dual-functional coating-catalyst synergistically boosting Li₂S electrochemical performance. This orbital-orientation regulation strategy provides fundamental insights for developing advanced lithium-sulfur battery catalysts.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117078"},"PeriodicalIF":5.6,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474568","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}
Pub Date : 2025-11-03DOI: 10.1016/j.scriptamat.2025.117077
Gholam Ali Baqeri , Chris Killmore , Lachlan Smillie , Mitchell Nancarrow , Elena Pereloma
This study presents the first direct experimental evidence of core–shell structured (Cr,V,Nb)CN precipitates—featuring a V-rich core and Cr-rich shell—in a micro-alloyed steel. Through advanced characterization techniques including high resolution transmission electron microscopy, energy dispersive X-ray spectroscopy, electron energy loss spectroscopy, and atom probe tomography, it was revealed that this complex carbonitride architecture emerges during simulated industrial coiling and exhibits the potential to resist coarsening, as suggested by the negligible hardness reduction observed during long coiling times. The Cr-rich shell reduces interfacial energy and suppresses solute diffusion, effectively stabilizing the precipitate size. These findings underscore the potential of (Cr,V,Nb)CN core–shell precipitates as a novel strengthening mechanism, providing a cost-effective alternative to Mo- and Ti-based systems and advancing the design of high-performance steels.
{"title":"Nanoscale core–shell (Cr,V,Nb)CN precipitation in micro-alloyed steel","authors":"Gholam Ali Baqeri , Chris Killmore , Lachlan Smillie , Mitchell Nancarrow , Elena Pereloma","doi":"10.1016/j.scriptamat.2025.117077","DOIUrl":"10.1016/j.scriptamat.2025.117077","url":null,"abstract":"<div><div>This study presents the first direct experimental evidence of core–shell structured (Cr,V,Nb)CN precipitates—featuring a V-rich core and Cr-rich shell—in a micro-alloyed steel. Through advanced characterization techniques including high resolution transmission electron microscopy, energy dispersive X-ray spectroscopy, electron energy loss spectroscopy, and atom probe tomography, it was revealed that this complex carbonitride architecture emerges during simulated industrial coiling and exhibits the potential to resist coarsening, as suggested by the negligible hardness reduction observed during long coiling times. The Cr-rich shell reduces interfacial energy and suppresses solute diffusion, effectively stabilizing the precipitate size. These findings underscore the potential of (Cr,V,Nb)CN core–shell precipitates as a novel strengthening mechanism, providing a cost-effective alternative to Mo- and Ti-based systems and advancing the design of high-performance steels.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117077"},"PeriodicalIF":5.6,"publicationDate":"2025-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474567","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}
Pub Date : 2025-11-03DOI: 10.1016/j.scriptamat.2025.117075
Yi Zeng , Fei Xiao , Ruihang Hou , Shungui Zuo , Ying Zhou , Xuejun Jin
Materials with high strength and large elastic strain across broad temperature ranges are in high demand for advanced applications. We report a nanostructured Ti50Ni44Fe6 (at. %) shape memory alloy wire exhibiting superior quasi-linear superelasticity, characterized by a large fully recoverable tensile strain (5 ∼ 7 %), high transformation critical stress (500 ∼ 900 MPa), low temperature sensitivity (1.49 MPa/°C), and minimal hysteresis (<10 J/cm3) over a wide cryogenic window (-170 ∼ -10 °C), surpassing most conventional shape memory alloys. The nanocrystalline structure was achieved through cold drawing followed by low-temperature annealing. The temperature- and stress-induced B2→B19′ martensitic transformation behaviours were systematically investigated, revealing that the wide-temperature superelasticity originates from the enhanced thermodynamic stability of the austenite phase and altered transformation kinetics from first-order to higher-order-like pathway.
{"title":"Quasi-linear superelasticity with a wide temperature window in a Ti-Ni-Fe shape memory alloy","authors":"Yi Zeng , Fei Xiao , Ruihang Hou , Shungui Zuo , Ying Zhou , Xuejun Jin","doi":"10.1016/j.scriptamat.2025.117075","DOIUrl":"10.1016/j.scriptamat.2025.117075","url":null,"abstract":"<div><div>Materials with high strength and large elastic strain across broad temperature ranges are in high demand for advanced applications. We report a nanostructured Ti<sub>50</sub>Ni<sub>44</sub>Fe<sub>6</sub> (at. %) shape memory alloy wire exhibiting superior quasi-linear superelasticity, characterized by a large fully recoverable tensile strain (5 ∼ 7 %), high transformation critical stress (500 ∼ 900 MPa), low temperature sensitivity (1.49 MPa/°C), and minimal hysteresis (<10 J/cm<sup>3</sup>) over a wide cryogenic window (-170 ∼ -10 °C), surpassing most conventional shape memory alloys. The nanocrystalline structure was achieved through cold drawing followed by low-temperature annealing. The temperature- and stress-induced B2→B19′ martensitic transformation behaviours were systematically investigated, revealing that the wide-temperature superelasticity originates from the enhanced thermodynamic stability of the austenite phase and altered transformation kinetics from first-order to higher-order-like pathway.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117075"},"PeriodicalIF":5.6,"publicationDate":"2025-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474572","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}
Pub Date : 2025-11-03DOI: 10.1016/j.scriptamat.2025.117066
Sashank Shivakumar , Keyu Cao , Wei Huang , Jian Luo
This study proposes and demonstrates induction ultrafast sintering (IUS), which enables rapid densification of refractory and other materials via two contactless modalities: direct IUS (d-IUS), where heating occurs through electromagnetic coupling with the sample, and susceptor IUS (s-IUS), where heating is achieved indirectly via an induction-heated metal case. Ultrahigh heating rates of ∼75 to >450 °C/s and temperatures exceeding 2500 °C are readily achieved. Both d-IUS and s-IUS densify molybdenum to high densities within 120 s, with only ∼1–3 % porosity observed by image analysis. Similarly, 3 mol % yttria-stabilized zirconia (3YSZ) reaches ∼97 % relative density in 30 s via s-IUS. This study further demonstrates ultrafast reactive sintering of two difficult-to-sinter materials: a refractory compositionally complex alloy–carbide (RCCA–CCC) composite, NbMoTaW–(Nb0.37Mo0.11Ta0.39W0.13)2C, using d-IUS, and a compositionally complex silicide (CCS), (Mo1/3Nb1/3Zr1/3)Si2, using s-IUS. This IUS platform offers a versatile route for high-throughput materials discovery and energy-efficient fabrication of bulk refractory materials.
{"title":"Induction ultrafast sintering","authors":"Sashank Shivakumar , Keyu Cao , Wei Huang , Jian Luo","doi":"10.1016/j.scriptamat.2025.117066","DOIUrl":"10.1016/j.scriptamat.2025.117066","url":null,"abstract":"<div><div>This study proposes and demonstrates induction ultrafast sintering (IUS), which enables rapid densification of refractory and other materials via two contactless modalities: direct IUS (d-IUS), where heating occurs through electromagnetic coupling with the sample, and susceptor IUS (s-IUS), where heating is achieved indirectly via an induction-heated metal case. Ultrahigh heating rates of ∼75 to >450 °C/s and temperatures exceeding 2500 °C are readily achieved. Both d-IUS and s-IUS densify molybdenum to high densities within 120 s, with only ∼1–3 % porosity observed by image analysis. Similarly, 3 mol % yttria-stabilized zirconia (3YSZ) reaches ∼97 % relative density in 30 s via s-IUS. This study further demonstrates ultrafast reactive sintering of two difficult-to-sinter materials: a refractory compositionally complex alloy–carbide (RCCA–CCC) composite, NbMoTaW–(Nb<sub>0.37</sub>Mo<sub>0.11</sub>Ta<sub>0.39</sub>W<sub>0.13</sub>)<sub>2</sub>C, using d-IUS, and a compositionally complex silicide (CCS), (Mo<sub>1/3</sub>Nb<sub>1/3</sub>Zr<sub>1/3</sub>)Si<sub>2</sub>, using s-IUS. This IUS platform offers a versatile route for high-throughput materials discovery and energy-efficient fabrication of bulk refractory materials.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117066"},"PeriodicalIF":5.6,"publicationDate":"2025-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474573","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}
This study harnesses the versatile adaptability of silicon nanowires (Si NWs) to create kink structures by tuning growth pressures and subsequently forming a nickel silicide within the Si NWs via nickel (Ni) atom evaporation and annealing. The transmission electron microscopic (TEM) examination substantiates the presence of Si(111) on both flanks of the Si NWs, showcasing robust structural stability. Intriguingly, the annealing process prompts a transition from Si(111) to NiSi2(111) crystalline orientations, marking a pivotal structural transformation. Our investigation uncovers an interplay between NW morphologies and their ferromagnetic properties. Specifically, single-kinked nanowires exhibit enhanced ferromagnetism, whereas an increase in the number of kinks conversely diminishes their ferromagnetism. A remarkable revelation emerges when we consider the proportion of kinked nanowires within the overall sample. This variable proportion yields disparate ferromagnetic responses. Remarkably, this phenomenon demonstrates that even a simple kink structure holds the key to pioneering the manipulation of ferromagnetic properties within ferromagnetic materials.
{"title":"Tunable ferromagnetism of nickel silicide in kinked silicon nanowires","authors":"Chia-Yi Wu , Cheng-You Shih , Chang-Hsun Huang , Chun-Liang Lin , Yi-Chia Chou","doi":"10.1016/j.scriptamat.2025.117071","DOIUrl":"10.1016/j.scriptamat.2025.117071","url":null,"abstract":"<div><div>This study harnesses the versatile adaptability of silicon nanowires (Si NWs) to create kink structures by tuning growth pressures and subsequently forming a nickel silicide within the Si NWs via nickel (Ni) atom evaporation and annealing. The transmission electron microscopic (TEM) examination substantiates the presence of Si(111) on both flanks of the Si NWs, showcasing robust structural stability. Intriguingly, the annealing process prompts a transition from Si(111) to NiSi<sub>2</sub>(111) crystalline orientations, marking a pivotal structural transformation. Our investigation uncovers an interplay between NW morphologies and their ferromagnetic properties. Specifically, single-kinked nanowires exhibit enhanced ferromagnetism, whereas an increase in the number of kinks conversely diminishes their ferromagnetism. A remarkable revelation emerges when we consider the proportion of kinked nanowires within the overall sample. This variable proportion yields disparate ferromagnetic responses. Remarkably, this phenomenon demonstrates that even a simple kink structure holds the key to pioneering the manipulation of ferromagnetic properties within ferromagnetic materials.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117071"},"PeriodicalIF":5.6,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474569","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}
Pub Date : 2025-10-31DOI: 10.1016/j.scriptamat.2025.117079
Shuainan Xu , Song Fu , Xiaolian Liu , Yulin Ma , Rui Shen , Xuefeng Zhang
Continuous non-ferromagnetic grain boundary phases (GBPs) have been shown to greatly enhance coercivity (∼8 kOe) in Ga-doped Nd-Fe-B magnets after post-sintering annealing (PSA), whereas similar GBP continuity in undoped magnets yields only minor gains (1–3 kOe). In this work, the effect differences between the amounts of Nd-rich phases and their distribution on magnetic properties were directly investigated by adding Nd2O3 oxide. After PSA, the coercivity of magnets steadily increases and then levels off, although it initially decreases and stabilizes with increasing Nd₂O₃ content before annealing. Especially, the addition of Nd2O3 above 1.0 wt.% leads to an enhancement in coercivity by 7.0–8.7 kOe after PSA. The fcc-NdOx GBPs have formed and aggregated at the triple junction areas by the dissociation of hcp-Nd2O3 and Nd-rich phases in sintered magnets. The results directly reveal that the continuous distribution of GBPs plays a more crucial role in coercivity enhancement than its amounts.
{"title":"Microstructural insights into the huge coercivity enhancement after post sinter annealing with the evolution of added Nd2O3 oxide in sintered Nd-Fe-B magnets","authors":"Shuainan Xu , Song Fu , Xiaolian Liu , Yulin Ma , Rui Shen , Xuefeng Zhang","doi":"10.1016/j.scriptamat.2025.117079","DOIUrl":"10.1016/j.scriptamat.2025.117079","url":null,"abstract":"<div><div>Continuous non-ferromagnetic grain boundary phases (GBPs) have been shown to greatly enhance coercivity (∼8 kOe) in Ga-doped Nd-Fe-B magnets after post-sintering annealing (PSA), whereas similar GBP continuity in undoped magnets yields only minor gains (1–3 kOe). In this work, the effect differences between the amounts of Nd-rich phases and their distribution on magnetic properties were directly investigated by adding Nd<sub>2</sub>O<sub>3</sub> oxide. After PSA, the coercivity of magnets steadily increases and then levels off, although it initially decreases and stabilizes with increasing Nd₂O₃ content before annealing. Especially, the addition of Nd<sub>2</sub>O<sub>3</sub> above 1.0 wt.% leads to an enhancement in coercivity by 7.0–8.7 kOe after PSA. The <em>fcc</em>-NdO<sub>x</sub> GBPs have formed and aggregated at the triple junction areas by the dissociation of <em>hcp</em>-Nd<sub>2</sub>O<sub>3</sub> and Nd-rich phases in sintered magnets. The results directly reveal that the continuous distribution of GBPs plays a more crucial role in coercivity enhancement than its amounts.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"272 ","pages":"Article 117079"},"PeriodicalIF":5.6,"publicationDate":"2025-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145425279","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}
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