Acta Materialia最新文献_第2页

Mathematical statistical analysis between crystal structure and “fast-charging” behavior of niobium tungsten oxides anodes for lithium-ion batteries 锂离子电池用铌钨氧化物阳极晶体结构与“快充”行为的数理统计分析

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-14 DOI: 10.1016/j.actamat.2025.121629

Rui Liu, Huanzhong Zeng, Yuanyou Peng, Meimei Yu, Guang Liu, Fen Ran

{"title":"Mathematical statistical analysis between crystal structure and “fast-charging” behavior of niobium tungsten oxides anodes for lithium-ion batteries","authors":"Rui Liu, Huanzhong Zeng, Yuanyou Peng, Meimei Yu, Guang Liu, Fen Ran","doi":"10.1016/j.actamat.2025.121629","DOIUrl":"10.1016/j.actamat.2025.121629","url":null,"abstract":"<div><div>Niobium tungsten oxide materials (NbWOs) have safe operating voltage and stable structure in lithium-ion batteries, which is beneficial for fast-charging performance. The phase structure could be controlled by adjusting atomic ratios. Clarifying the mathematical relationship between phase structure parameters and Li<sup>+</sup> storage behavior is an important prerequisite for guiding the design of “fast-charging” niobium-based oxides. Therefore, Pearson’s correlation coefficient method is for the first time employed to analyze the relationship between the crystal structure parameters and Li<sup>+</sup> storage behaviors of NbWOs. According which, the lithium-ion storage mechanism of TTB phase (Nb<sub>2</sub>W<sub>3</sub>O<sub>14</sub> and Nb<sub>2</sub>WO<sub>8</sub>) with excellent rate performance is dominated by pseudocapacitive behavior, while for Wadsley-Roth phase (Nb<sub>12</sub>WO<sub>33</sub> and Nb<sub>14</sub>W<sub>3</sub>O<sub>44</sub>) is jointly by pseudocapacitive and battery behaviors, and the ion diffusion channels perpendicular to the main diffusion axis provide a “shunt-buffer zone” for Li<sup>+</sup> at a high current density enabling them with outstanding cycling stability. The core of modification for “fast-charging” of NbWOs lies in balancing the ionic diffusion channel proportion of the tetragonal and pentagonal while minimizing the triangular, which can be achieved by adjusting the feeding molar ratio of Nb/W.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121629"},"PeriodicalIF":9.3,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145295796","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 quantitative investigations of differential mobilities of edge and screw pyramidal dislocations in magnesium 镁中边缘位错和螺旋锥体位错差异迁移率的原位定量研究

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-13 DOI: 10.1016/j.actamat.2025.121630

Fei Liu , Boyu Liu , Jin Zhang , Yuyang Wang , Yaofeng Li , Hangwei Cui , Upadrasta Ramamurty , Bin Li , Zhiwei Shan

{"title":"In-situ quantitative investigations of differential mobilities of edge and screw pyramidal dislocations in magnesium","authors":"Fei Liu , Boyu Liu , Jin Zhang , Yuyang Wang , Yaofeng Li , Hangwei Cui , Upadrasta Ramamurty , Bin Li , Zhiwei Shan","doi":"10.1016/j.actamat.2025.121630","DOIUrl":"10.1016/j.actamat.2025.121630","url":null,"abstract":"<div><div>Lightweight magnesium, promising for energy-efficient structural applications, faces limitations in plasticity tied to the behavior of pyramidal dislocations. Despite extensive studies, key aspects such as the differences in the mobilities of edge and screw components and the perplexing rectilinear and step-like dislocation morphologies, remain unresolved. Using <em>in-situ</em> transmission electron microscopy, the critical stress for activation of the edge and near-screw dislocations is quantitatively measured. We reveal that near-screw dislocations glide smoothly at low stresses that are close to that required for basal slip, whereas edge dislocations exhibit jerky motion and low mobility requiring activation stresses two orders of magnitude higher. The mobility of edge dislocations can be enhanced by forming near-screw steps that glide laterally, well rationalizing the commonly observed step-like dislocation configurations. As temperature increases, the difference in the mobilities between edge and near-screw dislocations narrows. Atomistic simulations indicate that the low mobility of edge dislocations is due to an irrational core structure where the theoretical half atomic plane is irrational and shifts to basal and prismatic planes, leading to the rectilinear morphology along the basal plane and necessitating a climb-like motion. This study addresses long-standing questions about pyramidal dislocations and provides new insight into the plasticity of magnesium.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121630"},"PeriodicalIF":9.3,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323080","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

MCTSGT: A graph theory-based Monte Carlo tree strategy for configuration search in disordered structures 一种基于图论的无序结构构型搜索蒙特卡罗树策略

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-12 DOI: 10.1016/j.actamat.2025.121628

Bing He , Zhicong Lai , Da Wang , Xiaotong Liu , Yue Liu , Miao Xu , Bowei Pu , Qingbao Wang , Ruofang Wang , Maxim Avdeev , Siqi Shi

{"title":"MCTSGT: A graph theory-based Monte Carlo tree strategy for configuration search in disordered structures","authors":"Bing He , Zhicong Lai , Da Wang , Xiaotong Liu , Yue Liu , Miao Xu , Bowei Pu , Qingbao Wang , Ruofang Wang , Maxim Avdeev , Siqi Shi","doi":"10.1016/j.actamat.2025.121628","DOIUrl":"10.1016/j.actamat.2025.121628","url":null,"abstract":"<div><div>Crystalline solids, especially ion conductors, often exhibit site-occupancy disorder, including partial occupation of the mobile ion sublattice or mixed occupation of the framework sublattice. The key to predicting physical properties, such as ionic transport barrier, lies in identifying appropriate configurations that can reflect the local features of site-occupancy disorder. However, as supercell size and compositional complexity increase, existing configuration search methods suffer from low search efficiency and insufficient universality. Here, we propose a multi-strategy configuration search method called MCTSGT, where the search space is represented as a tree structure using Monte Carlo Tree Search (MCTS) and equivalent nodes are dynamically pruned using the distance matrix of graph theory (GT) to improve search efficiency. Two alternative search strategies, Warren-Cowley short-range order parameters and configurational ground-state energy, are provided to enhance the adaptability of MCTSGT for different systems. Applied to nine typical disordered structures, MCTSGT achieves a maximum search efficiency improvement of 14% compared to Monte Carlo simulated annealing. Furthermore, energy barriers of obtained configurations via the bond valence site energy (BVSE) method exhibit a consistent trend with experimental studies. Our work provides important insights into machine-learning modeling of disordered structures and contributes to materials discovery across a broader compositional space.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121628"},"PeriodicalIF":9.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323183","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

Far from equilibrium pulsed poled Mn-doped relaxor ferroelectrics: a positive aging relaxation process 远离平衡的脉冲极化掺锰弛豫铁电体：一个正老化弛豫过程

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-12 DOI: 10.1016/j.actamat.2025.121627

Michael W. Mervosh , Clive A. Randall

{"title":"Far from equilibrium pulsed poled Mn-doped relaxor ferroelectrics: a positive aging relaxation process","authors":"Michael W. Mervosh , Clive A. Randall","doi":"10.1016/j.actamat.2025.121627","DOIUrl":"10.1016/j.actamat.2025.121627","url":null,"abstract":"<div><div>The aging behavior of high temperature pulse poled (HTPP) Mn-doped relaxor ferroelectrics (RFE) was investigated. It was found that following HTPP, a far from equilibrium state can be realized. Within this state, the dielectric and piezoelectric properties increased with aging in both single crystal and textured ceramic materials. The degree of aging, as well as the time scales involved, surpassed previous aging studies. The single crystals experienced 40–60 % increases in d<sub>33</sub> and ε<sub>r</sub> over the span of a month, and the textured ceramics experienced 15–20 % increases over multiple weeks. Changes in Rayleigh analysis, heat flow at phase transitions, and X-ray diffraction patterns pointed towards important intrinsic transformations in the systems induced by HTPP and positive aging. It is hypothesized that such a transformation can arise due to far from equilibrium conditions driven by the ultra-fast field switching of pulse poling. The resultant uncompensated depolarization field that forms from ineffective bulk screening depressed properties on day one. With time, the defect dipoles within the Mn-doped systems are assumed to align to generate an internal field counteracting the incomplete compensation of the depolarization field as evidenced by the asymmetric hysteresis loops. The pulse poled state and the associated positive aging properties were analyzed under a first order elastic Gibbs Landau-Devonshire Theory and other phenomenological descriptions of the physical properties. The HTPP induced internal electric field and electrostrictive coupling lead to the time dependent evolution of the first order ferroelectric character and piezoelectric property enhancement.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121627"},"PeriodicalIF":9.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145282820","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-property materials discovery from additively manufactured compositionally graded Fe-Ni-Si alloys 增材制造复合梯度铁镍硅合金中多性能材料的发现

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-12 DOI: 10.1016/j.actamat.2025.121625

Wei Hock Teh , Li Ping Tan , Shilin Chen , Coryl Jing Jun Lee , Fengxia Wei , Shakti P. Padhy , V. Chaudhary , Cheng Cheh Tan , R.V. Ramanujan

{"title":"Multi-property materials discovery from additively manufactured compositionally graded Fe-Ni-Si alloys","authors":"Wei Hock Teh , Li Ping Tan , Shilin Chen , Coryl Jing Jun Lee , Fengxia Wei , Shakti P. Padhy , V. Chaudhary , Cheng Cheh Tan , R.V. Ramanujan","doi":"10.1016/j.actamat.2025.121625","DOIUrl":"10.1016/j.actamat.2025.121625","url":null,"abstract":"<div><div>There is an urgent demand for novel magnetic alloys with excellent functional and mechanical properties for next generation, high frequency, large torque, rotating electric machine applications. Binary Fe-Si alloys are low cost and exhibit attractive magnetic and electrical properties. However, high Si content Fe-Si alloys are brittle. Binary Fe-Ni alloys also possess good magnetic properties. It is hypothesized that certain ternary Fe-Ni-Si alloy compositions can possess an attractive blend of properties. Samples containing a range of Fe-Ni-Si alloy compositions were produced by directed energy deposition based additive manufacturing. These compositionally graded pillar samples were studied by rapid characterization and property evaluation techniques. Across the explored ternary space (of up to 40 wt% Ni and 10 wt% Si), we observed a wide range of properties, with some compositions achieving high hardness (∼600 HV), electrical resistivity of up to 255 µΩ·cm, and saturation magnetization of up to 200 emu/g, while coercivity ranged from ∼13 to ∼216 Oe. Fe-11.5Ni-2.7Si was identified as a novel promising composition and validation experiments were conducted to verify its properties. This work has successfully identified an additively manufactured Fe-Ni-Si alloy composition with promising functional as well as mechanical properties.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121625"},"PeriodicalIF":9.3,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145282821","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

Informed Unsupervised Machine Learning Analysis of Dislocation Microstructure from High-Resolution Differential Aperture X-ray Structural Microscopy Data 基于高分辨率差孔径x射线结构显微镜数据的位错微观结构的无监督机器学习分析

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2025-10-11 DOI: 10.1016/j.actamat.2025.121624

Khaled SharafEldin, Bryan D. Miller, Wenjun Liu, Jon Tischler, Benjamin Anglin, Anter El-Azab

{"title":"Informed Unsupervised Machine Learning Analysis of Dislocation Microstructure from High-Resolution Differential Aperture X-ray Structural Microscopy Data","authors":"Khaled SharafEldin, Bryan D. Miller, Wenjun Liu, Jon Tischler, Benjamin Anglin, Anter El-Azab","doi":"10.1016/j.actamat.2025.121624","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121624","url":null,"abstract":"This study leverages high-resolution differential-aperture X-ray structural microscopy (DAXM) to probe the local dislocation structure in deformed 304L-stainless steel at small strain, by measuring the lattice rotation and deviatoric elastic strain with a sub-micron resolution. For a single grain in a polycrystalline specimen, the measured lattice rotation field over the measured volume exhibited a multimodal distribution while the deviatoric elastic strain showed a single-mode distribution. An unsupervised Cauchy mixture machine learning model was developed to resolve the multimodal distribution of the lattice rotation. By mapping the lattice rotation data associated with each Cauchy peak in the model back onto the measured volume, we identify contiguous regions of the crystal rotated near the average values corresponding to the peaks of the overall rotation distribution. These regions represent the grain subdivision in the microstructure. Finally, the dislocation density tensor was also computed and its norm was laid over the rotation field to detect the subgrain boundaries. This step provided a validation of the Cauchy mixture model for the analysis of the lattice rotation distribution. The current study highlights the integration of advanced X-ray microscopy techniques with data-driven analysis methods to uncover detailed microstructure scales in deformed crystals.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"20 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261693","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

Cryogenic magnetocaloric properties of zinc-based perovskite Nd2ZnZn(Zn2Sb2)O12 with A-site columnar-type and B-site rock-salt-type orders a位柱状和b位岩盐型锌基钙钛矿Nd2ZnZn(Zn2Sb2)O12的低温磁热学性质

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-11 DOI: 10.1016/j.actamat.2025.121626

Xuan Liang , Kazunari Yamaura , Alexei A. Belik

{"title":"Cryogenic magnetocaloric properties of zinc-based perovskite Nd2ZnZn(Zn2Sb2)O12 with A-site columnar-type and B-site rock-salt-type orders","authors":"Xuan Liang , Kazunari Yamaura , Alexei A. Belik","doi":"10.1016/j.actamat.2025.121626","DOIUrl":"10.1016/j.actamat.2025.121626","url":null,"abstract":"<div><div>Properties of perovskite-structure materials are highly sensitive to the degree of cation (and anion) orders. Therefore, it is important to know strategies of controlling such orders. Here we report a high-pressure, high-temperature synthesis of the first example of a Zn-based Nd<sub>2</sub>ZnZn(Zn<sub>2</sub>Sb<sub>2</sub>)O<sub>12</sub> perovskite, with a full order of Nd<sup>3+</sup> and Zn<sup>2+</sup> at A sites in the columnar-type manner (with Zn<sup>2+</sup> at square-planar and tetrahedral sites) and with a full order of Zn<sup>2+</sup> and Sb<sup>5+</sup> at octahedral B sites in the rock-salt-type manner. The sample was prepared at a moderate pressure of 6 GPa, which is much smaller than the pressure range (14–18 GPa) proposed in the literature for such perovskites. The sample exhibited paramagnetic behavior down to 1.8 K. On the other hand, it showed strong magnetic-field dependence of specific heat, indicating a notable magnetocaloric effect at low temperatures, which was further quantified using both specific heat and isothermal magnetization measurements. Considering the structural features, this compound could be an archetype for exploring rare-earth magnetism in a one-dimensional lattice.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121626"},"PeriodicalIF":9.3,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145282822","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

Finely tunable thermal expansion of NiTi by stress-induced martensitic transformation and thermomechanical training 应力诱导马氏体相变和热机械训练的NiTi精细可调热膨胀

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-11 DOI: 10.1016/j.actamat.2025.121623

Won Seok Choi , Won-Seok Ko , Yejun Park , Edward L. Pang , Jong-Hoon Park , Hye-Hyun Ahn , Yuji Ikeda , Pyuck-Pa Choi , Blazej Grabowski

{"title":"Finely tunable thermal expansion of NiTi by stress-induced martensitic transformation and thermomechanical training","authors":"Won Seok Choi , Won-Seok Ko , Yejun Park , Edward L. Pang , Jong-Hoon Park , Hye-Hyun Ahn , Yuji Ikeda , Pyuck-Pa Choi , Blazej Grabowski","doi":"10.1016/j.actamat.2025.121623","DOIUrl":"10.1016/j.actamat.2025.121623","url":null,"abstract":"<div><div>Tailoring the thermal expansion of martensitic materials by crystallographic texture and anisotropic variation of lattice parameters is a promising route to the flexible design of thermally stable systems. NiTi alloys are prototype materials in this respect, exhibiting shape-memory and superelastic properties owing to their thermoelastic martensitic transformations. Here, we propose a method to realize finely tunable coefficients of thermal expansion (CTE) for the NiTi alloy based on a special combination of mechanical and thermal training. We achieve a near-zero in-plane CTE smaller than that of the FeNi-based Invar alloy. Atomistic simulations and theoretical calculations guide the method design and clarify the underlying mechanisms of the relationship between the processing conditions, the microstructural evolution, and the thermal expansion behavior. The directions for further, finer adjustments of the CTE without constraints on the shape of the materials are indicated.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"302 ","pages":"Article 121623"},"PeriodicalIF":9.3,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261687","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 Electron Channeling Contrast Imaging of Cyclic Deformation Mechanisms in CrCoNi Medium-Entropy Alloy CrCoNi中熵合金循环变形机制的原位电子通道对比成像

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2025-10-10 DOI: 10.1016/j.actamat.2025.121622

Feihu Chen, Yang Gui, Dayong An, Hui Wang, Xu Zhang, Min Song, Peter Liaw, Javier LLorca, Zhangwei Wang

{"title":"In-Situ Electron Channeling Contrast Imaging of Cyclic Deformation Mechanisms in CrCoNi Medium-Entropy Alloy","authors":"Feihu Chen, Yang Gui, Dayong An, Hui Wang, Xu Zhang, Min Song, Peter Liaw, Javier LLorca, Zhangwei Wang","doi":"10.1016/j.actamat.2025.121622","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121622","url":null,"abstract":"This study investigates the microstructural evolution and cyclic stress response of a CrCoNi medium-entropy alloy as a function of strain amplitude (0.7% and 0.9%), cycle number (N, up to 200 cycles), and Taylor factor (M = 2.3–3.6) using in-situ electron channeling contrast imaging (ECCI). In an initial stage (N < 20 cycles), dislocations multiply uniformly across all grains for both strain amplitudes. Subsequently (N > 50 cycles), grains with low Taylor factors (M = 2.3–2.8) retain planar slip arrays, those with medium Taylor factors (M= 2.8–3.2) develop transitional dislocation structures, while grains with high Taylor factors (M = 3.2–3.6) form fully heterogeneous structures through multi-slip activation. This microstructural evolution directly correlates with the mechanical response: low-M grains exhibit continuous hardening as a result of planar slip, medium-M grains display slightly lower hardening, while high-M grains undergo cyclic softening. The softening in high-M grains stems from the formation of low-density dislocation channels, increasing the dislocation mean free path and reducing back stress. A constitutive model incorporating the Taylor factor distribution and these evolving dislocation configurations quantitatively predicts the cyclic stress response, confirming that softening originates from heterogeneous structures in grains with high Taylor factor. This work thus identifies the Taylor factor-dependent formation of heterogeneous structures, observed via ECCI, as the critical mechanism driving cyclic softening. These findings offer a crystallographic perspective for designing fatigue-resistant multi-principal element alloys.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"11 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261696","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

Substrate-driven structural coherence in epitaxial hematite thin films for spintronics 自旋电子学外延赤铁矿薄膜的衬底驱动结构相干性

IF 9.3 1区材料科学

Acta Materialia Pub Date : 2025-10-09 DOI: 10.1016/j.actamat.2025.121613

Meritxell Toda-Casaban , Lluis Balcells , Narcís Mestres , Alberto Pomar , Hui Chen , Alba Garzón Manjón , Jordi Arbiol , Benjamín Martínez , Carlos Frontera

{"title":"Substrate-driven structural coherence in epitaxial hematite thin films for spintronics","authors":"Meritxell Toda-Casaban , Lluis Balcells , Narcís Mestres , Alberto Pomar , Hui Chen , Alba Garzón Manjón , Jordi Arbiol , Benjamín Martínez , Carlos Frontera","doi":"10.1016/j.actamat.2025.121613","DOIUrl":"10.1016/j.actamat.2025.121613","url":null,"abstract":"<div><div>In this work, we report the successful growth of high-quality epitaxial hematite (<span><math><mi>α</mi></math></span>-Fe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>) thin films on three different substrates: (0001)-oriented sapphire, and (111)-oriented perovskite-structured SrTiO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and LaAlO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>. Structural characterization confirms epitaxial growth with a (0001) out-of-plane orientation across all substrates. Synchrotron X-ray diffraction reveals that the films are highly relaxed, exhibiting systematic in-plane lattice variations driven by substrate-induced strain. Notably, films grown on perovskite substrates display enhanced in-plane crystal coherence compared to those on isostructural sapphire, indicating superior structural quality. These findings demonstrate the potential for seamless integration of hematite with perovskite oxides, enabling the development of high-quality oxide heterostructures for spintronic applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"301 ","pages":"Article 121613"},"PeriodicalIF":9.3,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247233","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