Acta Materialia最新文献

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Simultaneous enhancement of mechanical and thermoelectric properties via precipitation engineering in Mg3(Sb, Bi)2 沉淀法同时增强Mg3(Sb, Bi)2的力学和热电性能
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-04-01 Epub Date: 2026-01-24 DOI: 10.1016/j.actamat.2026.121958
Peng Xie , Lifeng Jiang , Shuyue Tan , Hongda Song , Xinghui Wang , Jingyi Xiao , Huijun Kang , Zongning Chen , Enyu Guo , Jun Wang , Tongmin Wang
{"title":"Simultaneous enhancement of mechanical and thermoelectric properties via precipitation engineering in Mg3(Sb, Bi)2","authors":"Peng Xie ,&nbsp;Lifeng Jiang ,&nbsp;Shuyue Tan ,&nbsp;Hongda Song ,&nbsp;Xinghui Wang ,&nbsp;Jingyi Xiao ,&nbsp;Huijun Kang ,&nbsp;Zongning Chen ,&nbsp;Enyu Guo ,&nbsp;Jun Wang ,&nbsp;Tongmin Wang","doi":"10.1016/j.actamat.2026.121958","DOIUrl":"10.1016/j.actamat.2026.121958","url":null,"abstract":"<div><div>Precipitation strengthening is a well-established mechanism for enhancing mechanical properties in metals. As for thermoelectric materials, however, research on precipitates has primarily focused on their role in decoupling electron and phonon transport, with their potential for improving mechanical properties receiving limited attention. Herein, we systematically investigate the synergistic effects of V-rich nanoscale precipitates on both the thermoelectric and mechanical properties of Mg<sub>3</sub>(Sb, Bi)<sub>2</sub>. These precipitates promote grain growth and donate electrons to the matrix, leading to a high electrical conductivity of 6.3 × 10<sup>4</sup> S·m<sup>-1</sup> at 323 K. Their uniform dispersion also effectively enhances phonon scattering, yielding an average figure of merit (<em>zT</em>) of 1.2 over 323-723 K. More importantly, we discover that deformation triggers dynamic precipitation in polycrystalline Mg<sub>3</sub>(Sb, Bi)<sub>2</sub>. Applied stress generates a high density of dislocations and sub-grain boundaries, which serve as fast diffusion pathways facilitating the reprecipitation of Mg-rich and Bi-rich phases, thereby simultaneously strengthening and toughening the material. Consequently, the optimized Mg<sub>3.19</sub>V<sub>0.01</sub>Sb<sub>1.5</sub>Bi<sub>0.49</sub>Te<sub>0.01</sub> demonstrates a compressive strain of 47 % together with a compressive strength of 550 MPa. This work elucidates the dual role of nano-precipitates in governing both thermoelectric transport and mechanical reliability, offering new insights and an effective strategy for strengthening Mg<sub>3</sub>(Sb, Bi)<sub>2</sub>-based thermoelectrics.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"307 ","pages":"Article 121958"},"PeriodicalIF":9.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146044812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Field-driven magnetization processes, magnetocalloric effect and tunneling magnetoconductivity in bilayer CrI3 thin films: Insights from replica-exchange Monte Carlo simulations 场驱动磁化过程、磁热效应和双层cri3薄膜的隧道导电性:来自复制交换蒙特卡罗模拟的见解
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-04-01 Epub Date: 2026-02-02 DOI: 10.1016/j.actamat.2026.121975
Phong H. Nguyen , Cong T. Bach , Huy D. Nguyen , Hoai T.L. Nguyen , Hanh H. Mai , Duy Q. Dao , Giang H. Bach
{"title":"Field-driven magnetization processes, magnetocalloric effect and tunneling magnetoconductivity in bilayer CrI3 thin films: Insights from replica-exchange Monte Carlo simulations","authors":"Phong H. Nguyen ,&nbsp;Cong T. Bach ,&nbsp;Huy D. Nguyen ,&nbsp;Hoai T.L. Nguyen ,&nbsp;Hanh H. Mai ,&nbsp;Duy Q. Dao ,&nbsp;Giang H. Bach","doi":"10.1016/j.actamat.2026.121975","DOIUrl":"10.1016/j.actamat.2026.121975","url":null,"abstract":"<div><div>We employ replica-exchange Monte Carlo simulations of Ising model for a bilayer honeycomb spin lattice with <span><math><mrow><mi>S</mi><mo>=</mo><mn>3</mn><mo>/</mo><mn>2</mn></mrow></math></span> to investigate field-driven magnetic behavior and first-order magnetization processes (FOMPs). The simulations reveal a step-like field dependence of the magnetic moment at low temperatures with a sudden saturation, occurring at a critical field <span><math><msub><mrow><mi>h</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span> that linearly varies with interlayer coupling <span><math><msub><mrow><mi>J</mi></mrow><mrow><mi>z</mi></mrow></msub></math></span>. Without a magnetic field, an interlayer antiferromagnetic alignment is confirmed below the Néel temperature <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>N</mi></mrow></msub></math></span> for arbitrary interlayer coupling <span><math><msub><mrow><mi>J</mi></mrow><mrow><mi>z</mi></mrow></msub></math></span>, with <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>N</mi></mrow></msub></math></span> decreasing as the interlayer coupling strength <span><math><mrow><mo>|</mo><msub><mrow><mi>J</mi></mrow><mrow><mi>z</mi></mrow></msub><mo>|</mo></mrow></math></span> weakens. We further analyzed the temperature dependence of layer-resolved magnetic moments, thermodynamic quantities and their relations to the magneto-caloric effect, where the magnetic entropy change <span><math><mrow><mo>−</mo><mi>Δ</mi><msub><mrow><mi>S</mi></mrow><mrow><mi>M</mi></mrow></msub></mrow></math></span> exhibits a double-peak structure in systems with competing AFM and FM interactions. Finally, we calculate the field dependence of the relative magnetoconductivity and compare it with experimental measurements, clarifying the intimate relationship between FOMPs and tunneling magnetoconductivity in bilayer CrI<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> thin films.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"307 ","pages":"Article 121975"},"PeriodicalIF":9.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Extremely low stress and faceted nature of type II twinning in Ni-Mn-Ga shape memory alloys Ni-Mn-Ga形状记忆合金中II型孪晶的极低应力和多面性
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-14 DOI: 10.1016/j.actamat.2026.121936
Anna Wójcik , Wojciech Maziarz , Arkadiusz Szewczyk , Bin Li , Norbert Schell , Robert Chulist
{"title":"Extremely low stress and faceted nature of type II twinning in Ni-Mn-Ga shape memory alloys","authors":"Anna Wójcik ,&nbsp;Wojciech Maziarz ,&nbsp;Arkadiusz Szewczyk ,&nbsp;Bin Li ,&nbsp;Norbert Schell ,&nbsp;Robert Chulist","doi":"10.1016/j.actamat.2026.121936","DOIUrl":"10.1016/j.actamat.2026.121936","url":null,"abstract":"<div><div>The origin of extraordinarily low twinning stresses, at the level of 0.02 MPa, for type II twin boundaries in Ni-Mn-Ga single crystals has been a matter of discussion for at least three decades. In this sense, the atomic structure of this boundary has aroused great interest since it may provide a definitive answer related to extremely low twinning stress, practically no temperature dependence, irrational twinning plane, and a high migration rate. This points to fundamentally different dynamics of type II boundaries compared to other twin interconnections. For this reason, its irrational twin-plane character was supposed to decompose into arrays of facets with rational components relaxed by an arrangement of equally spaced disconnections. However, up to now, no one present a clear experimental evidence. This work shows that the macroscopic irrational character of the type II twin boundary is represented by two faceted rational components at the atomistic scale. Complementary, a dislocation-free mechanism for easy twin boundary motion, including shuffle of atomic layers due to extremely soft elastic response along the [<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>10] direction, is proposed. The present model explains very weak or practically nonexistent temperature sensitivity of twinning stress. The given concept enables breakthrough in technological applications for a broad class of functional materials, including ferroelectrics and multiferroics, exhibiting almost zero lattice friction down to 1.7 K.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121936"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145968487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multi-objective topology optimization of Ni–YSZ anode microstructure in anode-supported solid oxide fuel cells and performance analysis of cell 阳极支撑固体氧化物燃料电池Ni-YSZ阳极微观结构多目标拓扑优化及电池性能分析
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-15 DOI: 10.1016/j.actamat.2026.121942
Yufeng Du , Lei Fu , Bingyao Yi , Dingxi Xue , Yang Wan , Guojun Li
{"title":"Multi-objective topology optimization of Ni–YSZ anode microstructure in anode-supported solid oxide fuel cells and performance analysis of cell","authors":"Yufeng Du ,&nbsp;Lei Fu ,&nbsp;Bingyao Yi ,&nbsp;Dingxi Xue ,&nbsp;Yang Wan ,&nbsp;Guojun Li","doi":"10.1016/j.actamat.2026.121942","DOIUrl":"10.1016/j.actamat.2026.121942","url":null,"abstract":"<div><div>Solid oxide fuel cells (SOFCs) experience excessive thermal stress and microcrack formation at high operating temperatures, which severely limits power output and service life. To address this, we develop a multi-objective topology optimization framework for Ni-YSZ anode microstructures. Eight objective-function weight combinations (<em>ω</em><sub>CET</sub>, <em>ω</em><sub>th</sub>, <em>ω</em><sub>error</sub>) and four three-phase material volume ratios are systematically examined. The optimized configurations consistently form cruciform YSZ skeletons with centrally symmetric Ni embedding. On average, these designs achieve a 30% reduction in elastic modulus, a 20% decrease in the coefficient of thermal expansion (CET), and a 70% increase in thermal conductivity. For microstructures optimized under AOF8, the triple-phase boundary (TPB) density increases by 5–8 times relative to conventional, non-optimized anodes. Single-cell simulations confirm that these microstructural improvements translate into an increase in current density of approximately 0.4 A·cm<sup>−2</sup> and an enhancement in maximum power density of about 1.5 W·cm<sup>−2</sup>. Notably, AOF2, which prioritizes thermal conductivity, effectively reduces thermal stress concentration, whereas AOF8, which prioritizes TPB density, yields markedly enhanced electrochemical activity. An inverse association between gains in thermal conductivity and TPB density indicates inherent trade-offs among key material properties. This study establishes clear microstructure–property relationships that enable concurrent optimization of thermal stability and electrochemical performance. The proposed framework provides practical design guidance for next-generation SOFC anodes, with AOF7, characterized by the lowest elastic modulus, and AOF8, characterized by the highest TPB density, offering targeted solutions for severe thermal cycling and high-power applications, respectively.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121942"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Assessment of the thermodynamics, kinetics and crystallization sequence of Ni–Nb–P-based bulk metallic glass-forming alloys ni - nb - p基大块金属玻璃成形合金的热力学、动力学和结晶顺序评价
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-09 DOI: 10.1016/j.actamat.2026.121918
Lucas M. Ruschel , Bastian Adam , Oliver Gross , Maximilian Frey , Nico Neuber , Fan Yang , Ralf Busch
{"title":"Assessment of the thermodynamics, kinetics and crystallization sequence of Ni–Nb–P-based bulk metallic glass-forming alloys","authors":"Lucas M. Ruschel ,&nbsp;Bastian Adam ,&nbsp;Oliver Gross ,&nbsp;Maximilian Frey ,&nbsp;Nico Neuber ,&nbsp;Fan Yang ,&nbsp;Ralf Busch","doi":"10.1016/j.actamat.2026.121918","DOIUrl":"10.1016/j.actamat.2026.121918","url":null,"abstract":"<div><div>This study investigates the glass-forming ability of Ni–Nb–P-based bulk metallic alloys through a systematic analysis of their thermodynamic, kinetic, and crystallization behavior. Differential scanning calorimetry, viscosity measurements, and in-situ synchrotron X-ray diffraction were employed to examine three compositions: Ni<sub>62</sub>Nb<sub>38</sub>, Ni<sub>59.2</sub>Nb<sub>38.8</sub>P<sub>2</sub> and Ni<sub>59.2</sub>Nb<sub>33.8</sub>Ta<sub>5</sub>P<sub>2</sub>. While all alloys exhibit a high thermodynamic driving force for crystallization, the phosphorus- and tantalum-containing variants demonstrate significantly improved glass-forming ability. This improvement is linked to increased viscosity and suppression of primary crystallization. In particular, the addition of phosphorus promotes the formation of a phosphorus-rich intermetallic phase that requires long-range diffusion, delaying crystallization. The combined kinetic slowdown and delayed phase formation sufficiently retard crystallization, allowing fully amorphous samples up to 6 mm in diameter to be produced, compared to 2 mm for binary Ni–Nb. These findings highlight how judicious micro-alloying can enhance glass-forming ability through kinetic control of the crystallization pathway.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121918"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dopant-dependent pore formation in plastic Ag2Se contributing to ultrahigh thermoelectric performance 塑料Ag2Se中依赖掺杂物的孔隙形成有助于超高热电性能
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-10 DOI: 10.1016/j.actamat.2026.121917
Zhentao Guo , Lankun Wang , Zihou Xu , Yu-Ke Zhu , Xingyan Dong , Hao Wu , Fengkai Guo , Wei Cai , Jiehe Sui , Zihang Liu
{"title":"Dopant-dependent pore formation in plastic Ag2Se contributing to ultrahigh thermoelectric performance","authors":"Zhentao Guo ,&nbsp;Lankun Wang ,&nbsp;Zihou Xu ,&nbsp;Yu-Ke Zhu ,&nbsp;Xingyan Dong ,&nbsp;Hao Wu ,&nbsp;Fengkai Guo ,&nbsp;Wei Cai ,&nbsp;Jiehe Sui ,&nbsp;Zihang Liu","doi":"10.1016/j.actamat.2026.121917","DOIUrl":"10.1016/j.actamat.2026.121917","url":null,"abstract":"<div><div>Porous bulk materials demonstrate a diverse range of functional applications, including catalysis, energy storage, and thermal management. However, the available synthesis methods are not applicable or complex for a variety of materials. In this work, we discovered that minor doping induced a compromise between plasticity and porosity in Ag<sub>2</sub>Se bulk materials, enabling the general synthesis of high-performance porous thermoelectric materials. Li/Na/Br doping reduces plasticity, increasing initial pores and suppressing plastic flow to yield grain-refined porous structures. Conversely, Cu/In/Te doping sustains/enhances plasticity, resulting in dense microstructures comparable to undoped Ag<sub>2</sub>Se. Moreover, Li doping reduces carrier concentration (<em>n</em><sub>H</sub>) through cation vacancy regulation, demonstrated by density functional theory (DFT) calculations. Benefiting from the reduced electrical thermal conductivity from lowered <em>n</em><sub>H</sub> and diminished lattice thermal conductivity via hierarchical phonon scattering, ultralow thermal conductivity of 0.63 W·m<sup>-1</sup>·K<sup>-1</sup> is realized at 300 K for Ag<sub>1.95</sub>Li<sub>0.05</sub>Se. Combined with maintained high power factors, the Ag<sub>1.95</sub>Li<sub>0.05</sub>Se achieves an exceptionally high average <em>ZT</em> of 0.93 between 300 and 383 K. Our findings have fundamentally changed the synthesis process for thermoelectric materials, providing a new perspective on the role of doping-induced microstructural modulation and advancing the design of high-performance porous materials.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121917"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145974294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In-situ phase transition in P3-type layered oxide for high-performance Na-ion cathode 高性能钠离子阴极用p3型层状氧化物原位相变研究
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-22 DOI: 10.1016/j.actamat.2026.121955
Wenhui Li, Yang Jiang, Kun Luo
{"title":"In-situ phase transition in P3-type layered oxide for high-performance Na-ion cathode","authors":"Wenhui Li,&nbsp;Yang Jiang,&nbsp;Kun Luo","doi":"10.1016/j.actamat.2026.121955","DOIUrl":"10.1016/j.actamat.2026.121955","url":null,"abstract":"<div><div>P-type layered oxide materials have mesmerized great attention in view of higher security and lower price. Unfortunately, intrinsic Na<sup>+</sup>/vacancy ordering reorganization and deleterious structural evolution are observed in P-type materials during electrochemical processes, resulting in stepwise electrochemical profiles along with rapid capacity attenuation and poor rate capability. P3-type layered cathode material with medium-entropy cation arrangement, P3-Na<sub>0.75</sub>[Mg<sub>0.05</sub>Al<sub>0.05</sub>Zn<sub>0.08</sub>Ni<sub>0.22</sub>Mn<sub>0.6</sub>]O<sub>2</sub> (MEO), is devised and manufactured in this manuscript. The material represents smooth electrochemical profiles without apparent voltage plateaus ranging from 2.0 V to 4.5 V, revealing a specific capacity of 115 mAh g<sup>-1</sup>. Through structural characterizations, it has been demonstrated that MEO undergoes complete solid-solution reactions throughout the entire voltage range, promoting rapid diffusion of Na<sup>+</sup> ions during the reaction (10<sup>–10</sup> cm<sup>2</sup> s<sup>-1</sup>). As the charging reaches to high voltage, the material undergoes an in-situ phase transformation from P3 phase to “Z” phase which is identified as an intergrowth of P-type stacking to O-type stacking. The MEO material represents outstanding electrochemical behaviors with high rate capability (∼80 mAh g<sup>-1</sup> at 5 C, 1 <em>C</em> = 150 mA g<sup>-1</sup>) and an ultra-long cycling life (2000 cycles). In addition, the material can work properly over a varied temperature range (85 mAh g<sup>-1</sup> at -45 °C and 126 mAh g<sup>-1</sup> at 50 °C). The conclusions reported in this manuscript prove a beneficial method to suppress the complex stepwise electrochemical curves caused by the sudden P-O phase transformation in P3-type oxide cathode materials via the in-situ phase transition in order to realize outstanding electrochemical behaviors.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121955"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146032935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechano-electrochemical fabrication of self-supported Ag electrode with Ni surface single atom for hydrogen production Ni表面单原子自支撑银电极的机械电化学制备
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-05 DOI: 10.1016/j.actamat.2026.121905
Jing-Qian Zhang , Zi-Ang Ma , Cong Xi , Yan Zhang , Wen-Xuan Lv , Chuan-Qi Cheng , Chun-Yan Han , Jing-Jing Wang , Shuang Li , Rui Zhang , Qianjin Guo , Jing Yang , Cun-Ku Dong , Hui Liu , Peng-Fei Yin , Xi-Wen Du
{"title":"Mechano-electrochemical fabrication of self-supported Ag electrode with Ni surface single atom for hydrogen production","authors":"Jing-Qian Zhang ,&nbsp;Zi-Ang Ma ,&nbsp;Cong Xi ,&nbsp;Yan Zhang ,&nbsp;Wen-Xuan Lv ,&nbsp;Chuan-Qi Cheng ,&nbsp;Chun-Yan Han ,&nbsp;Jing-Jing Wang ,&nbsp;Shuang Li ,&nbsp;Rui Zhang ,&nbsp;Qianjin Guo ,&nbsp;Jing Yang ,&nbsp;Cun-Ku Dong ,&nbsp;Hui Liu ,&nbsp;Peng-Fei Yin ,&nbsp;Xi-Wen Du","doi":"10.1016/j.actamat.2026.121905","DOIUrl":"10.1016/j.actamat.2026.121905","url":null,"abstract":"<div><div>Metastable structures usually possess unique atomic and electronic configurations and thus show high potential on catalyzing chemical reactions. Among various metastable structures, surface single-atom alloys (SSAAs) attract widespread attention due to their ability to expose all dissimilar atoms on the surface, thereby regulating the electronic structure significantly. However, the synthesis of SSAAs remains a challenge due to the lack of effective methodology. Herein, we report a universal mechano-electrochemical technique for the synthesis of various SSAAs. Taking the Ni-Ag system as an example, the mechano-electrochemical process first drives nickel ions into Ag lattice, and then the embedded nickel ions are electrolytic reduced into nickel atoms, which are preferentially stabilized at the outermost surface, leading to the formation of SSAA. The produced self-supported electrode with SSAA exhibits excellent catalytic performance towards hydrogen evolution reaction, surpassing Ni-based catalysts and even Pt/C. This mechano-electrochemical technique can be applied to various immiscible alloy systems for the fabrication of SSAAs and then transform catalytically inert metals into high-performance catalysts.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121905"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145903350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A graph-based approach for tracking grains in time-resolved 2D/3D microstructural datasets 一种基于图的时间分辨二维/三维显微结构数据集颗粒跟踪方法
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2025-12-31 DOI: 10.1016/j.actamat.2025.121885
V.S. Venkatesh , Z. Croft , K. Thornton , A.J. Shahani
{"title":"A graph-based approach for tracking grains in time-resolved 2D/3D microstructural datasets","authors":"V.S. Venkatesh ,&nbsp;Z. Croft ,&nbsp;K. Thornton ,&nbsp;A.J. Shahani","doi":"10.1016/j.actamat.2025.121885","DOIUrl":"10.1016/j.actamat.2025.121885","url":null,"abstract":"<div><div>Understanding how grains evolve in polycrystalline materials is critical for linking processing to structure and ultimately properties. However, grain tracking in time-resolved 2D/3D datasets remains a major bottleneck due to topological changes, grain translation, sample deformation, and registration errors. Here, we present two new registration-independent tracking algorithms designed to overcome these challenges: a coordinate-transformation-based method based on local misorientation neighborhoods, and a graph-based method that reformulates the microstructure as a network of grains (nodes) and grain boundaries (edges) and uses graph matching to resolve correspondences while preserving topological consistency. We benchmark both against two conventional approaches, volume overlap and centroid-proximity-based matching, using two large-scale 3D phase-field simulations (with and without a thermal gradient) and an experimental laboratory-based x-ray diffraction contrast tomography dataset containing over 2,200 grains. Across all datasets, the graph-based approach consistently achieves the highest tracking efficiency and accuracy, especially in cases with substantial microstructural evolution or sample deformation. We further demonstrate how graph-based representations facilitate the quantification of topological events and guide experimental design by estimating the maximum interval between scans for reliable tracking. These results establish a robust, scalable, and topology-aware framework for 4D materials characterization, with broad applicability to both synthetic and experimental studies.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"306 ","pages":"Article 121885"},"PeriodicalIF":9.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973780","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First phase diagram of dislocation loops achieved through an innovative analytical framework 通过创新的分析框架获得的位错环的第一相图
IF 9.3 1区 材料科学
Acta Materialia Pub Date : 2026-03-01 Epub Date: 2026-01-09 DOI: 10.1016/j.actamat.2026.121916
Junjie Cao , Liping Guo , Yiheng Chen , Congxiao Liu , Rui Yan , Hongtai Luo
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