Acta Materialia最新文献_第2页

Deuterium Trapping Mechanisms in Reduced Activation Ferritic Martensitic Steels and Their Correlation with Mechanical Strengthening 低活化铁素体马氏体钢中的氘捕获机制及其与机械强化的关系

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2025-04-28 DOI: 10.1016/j.actamat.2025.121087

Weicheng Zhong, Dave Sprouster, Mingxi Ouyang, Lance L. Snead, Yutai Katoh

{"title":"Deuterium Trapping Mechanisms in Reduced Activation Ferritic Martensitic Steels and Their Correlation with Mechanical Strengthening","authors":"Weicheng Zhong, Dave Sprouster, Mingxi Ouyang, Lance L. Snead, Yutai Katoh","doi":"10.1016/j.actamat.2025.121087","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121087","url":null,"abstract":"Development of high-strength materials often involves introduction of additional strengthening microstructures that also serve as tritium trapping sites. Such additions in fusion material development could degrade the fuel efficiency in fusion reactors and raise radiological concerns. The contribution of individual microstructure features in hydrogen trapping must be evaluated to ensure fuel efficiency and radiological safety. This study explores the mechanistic origins of deuterium trapping in reduced-activation ferritic–martensitic steels and its correlation to mechanical strengthening. A series of model alloys and engineering steels were fabricated and subjected to different heat treatments to control deuterium trapping site density. Deuterium retention was evaluated using D<sub>2</sub> gas charging and thermal desorption spectroscopy, focusing on the role of grain boundary, dislocation, M<sub>23</sub>C<sub>6</sub> precipitates, and TiC precipitates. Multiscale microstructure characterization and synchrotron X-ray diffraction were performed to characterize microstructure, which was correlated to the deuterium retention property. Results show that TiC precipitates exhibit the highest deuterium trapping capacity, followed by M<sub>23</sub>C<sub>6</sub> precipitates. Dislocation and grain boundary demonstrate the lowest and similar efficiencies. The relationship of trapping quantity and mechanical strengthening of these microstructure features was quantified, demonstrating that TiC precipitates offer highest deuterium trapping per unit of mechanical strengthening.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"84 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143880786","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

Boosting photon-generated carrier migration process through intercalation strategy for highly photoelectric performance photo-responsive Zinc-Ion batteries 高光电性能光响应锌离子电池中嵌入策略促进光子生成载流子迁移过程

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-28 DOI: 10.1016/j.actamat.2025.121089

Xiaoyu Chen, Yifan Jiang, Hang Li, Ling Li, Qiancheng Zhu, Wenming Zhang

{"title":"Boosting photon-generated carrier migration process through intercalation strategy for highly photoelectric performance photo-responsive Zinc-Ion batteries","authors":"Xiaoyu Chen, Yifan Jiang, Hang Li, Ling Li, Qiancheng Zhu, Wenming Zhang","doi":"10.1016/j.actamat.2025.121089","DOIUrl":"10.1016/j.actamat.2025.121089","url":null,"abstract":"<div><div>The serious mismatch between the photogenerated charge migration rate and the redox reaction rate is a major limitation to the properties of photo-responsive zinc-ion batteries (PZIBs). Organic molecular intercalation can induce uniform and stable lattice structure modulation through hydrogen bonding. In this work, 2-methylimidazole intercalated V<sub>2</sub>O<sub>5</sub> photocathode (NVO) is designed. Energy band structure and charge delocalization modulation is achieved by the interaction of 2-methylimidazole with oxygen atoms in V<sub>2</sub>O<sub>5</sub> through hydrogen bonding. The theoretical calculation indicates that the overlap of the transition metal atomic orbitals in NVO is significantly enhance, which results in a decrease in the band gap and a lower energy barrier for carrier migration. The enhancement of the electron state density of NVO facilitates the carrier separation and migration properties, thereby reducing the probability of carrier recombination. The experimental results show that the NVO-50 photocathode, under simulated solar irradiation, exhibits a discharge capacity growth rate of 44 % at a current density of 0.5 A g<sup>-1</sup>, surpassing previously reported vanadium-based materials. This research offers novel insights into the development of highly photoelectric properties organic molecular intercalation photocathode materials, which can facilitate the advancement of photo-responsive zinc-ion batteries.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121089"},"PeriodicalIF":8.3,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143885416","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

Effect of composition-dependent anisotropy parameters on the dendrite formation patterns in Ni-Nb alloy 成分各向异性参数对Ni-Nb合金枝晶形成模式的影响

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-27 DOI: 10.1016/j.actamat.2025.121086

Nuojin Wang , Yuanxiang Zhang , Guo Yuan , Yang Wang , Feng Fang , Zhenlei Li , Jian Kang , Zhijie Pan , Wen Sun , Guodong Wang

{"title":"Effect of composition-dependent anisotropy parameters on the dendrite formation patterns in Ni-Nb alloy","authors":"Nuojin Wang , Yuanxiang Zhang , Guo Yuan , Yang Wang , Feng Fang , Zhenlei Li , Jian Kang , Zhijie Pan , Wen Sun , Guodong Wang","doi":"10.1016/j.actamat.2025.121086","DOIUrl":"10.1016/j.actamat.2025.121086","url":null,"abstract":"<div><div>Solid-liquid interfacial energy and anisotropy parameters of Ni-Nb alloys were calculated using capillary fluctuation method for compositions up to 11.46 at.% Nb. Despite the large atomic size mismatch and energy asymmetry, the Ni-Nb system showed no anomalous interfacial energy behavior. Analysis of number density peaks near the interface, combined with comparisons to Al-Sm and Cu-Zr systems, revealed that low solubility contributes to misaligned atomic layers and altered interfacial energy, emphasizing the role of configurational entropy variations near the interface. Molecular dynamics simulations and Bridgman directional solidification experiments demonstrated a compositional-dependent morphological transition from 〈100〉 to seaweed structures as Nb content increased. Compact seaweed evolved into stable doubloon arrays exhibiting strong orientational order, splitting predominantly constrained near the 〈100〉 direction, as confirmed by the disperse density peaks around 〈100〉 pole in inverse pole figures. EBSD analyses further showed that growth misalignment with thermal gradient significantly influenced microstructures with doubloons and tilted seaweeds, while having minimal effect on straight 〈100〉 dendrites. This highlights the intrinsic role of composition-dependent anisotropy in destabilizing dendrite tips and driving microstructure transitions with Nb addition. Additionally, 3D phase field simulations clarified the triplon-based splitting mechanism in tilted seaweeds and highlighted differences between Ni-Nb doubloons and typical isotropic seaweed morphologies in Al-based alloys, focusing on the bigger 〈100〉 interfacial energy and lower 〈100〉 stiffness. The results emphasize that the residual 〈100〉 interfacial anisotropy shown on the orientation selection map could guide ordered splitting patterns despite an overall reduction in anisotropy strength.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121086"},"PeriodicalIF":8.3,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877922","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 high-throughput physics- and data-driven framework for High-Entropy Alloy development 用于高熵合金开发的高通量物理和数据驱动框架

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-27 DOI: 10.1016/j.actamat.2025.121045

Shardul Kamat , Victoria Tucker , Michael S. Titus , Gregory J. Wagner

{"title":"A high-throughput physics- and data-driven framework for High-Entropy Alloy development","authors":"Shardul Kamat , Victoria Tucker , Michael S. Titus , Gregory J. Wagner","doi":"10.1016/j.actamat.2025.121045","DOIUrl":"10.1016/j.actamat.2025.121045","url":null,"abstract":"<div><div>Linking the relationships between composition, thermo-fluid properties, solidification dynamics, and the resulting microstructure is of great importance in increasing the adoption of High Entropy Alloys (HEAs) into practical applications. However, predicting these characteristics presents significant challenges due to the complex, multi-component nature of HEAs resulting in a large design space with a vast range of thermo-fluid properties. To -address this challenge, a multi-physics simulation framework and a data-driven surrogate modeling approach are implemented, to provide a method to rapidly assess how changes in HEA composition will lead to changes in material properties and as-solidified, cast microstructure. The physics-based framework sequentially couples CALPHAD models for material properties, computational fluid dynamics (CFD) for thermal conditions during solidification, and Cellular Automata (CA) for microstructure. A data-driven surrogate model, which can reconstruct microstructure statistics from the thermal conditions, is trained via a reduced-dimensional form of the microstructure output of the physics-based framework. Dimensionality reduction is achieved through a statistical representation of microstructure via Angularly Resolved Chord Length Distributions (ARCLDs), and identification of the primary ARCLD modes via Principal Component Analysis (PCA). This surrogate modeling approach provides a significant speedup for predicting as-cast microstructure features from HEA composition and solidification conditions, and is highly adaptable to other solidification processes.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121045"},"PeriodicalIF":8.3,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877938","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

Extraordinary strength-ductility synergy in chemically complex intermetallic alloys with hierarchical dual-phase nanostructures 具有分层双相纳米结构的化学复杂金属间合金的非凡强度-延展性协同作用

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-26 DOI: 10.1016/j.actamat.2025.121084

W.C. Xiao , W.W. Xu , J.X. Zhang , J.Y. Zhang , S.F. Liu , B. Xiao , Y.H. Zhou , J. Ju , Q. Li , Y.L. Zhao , X.L. Wang , P.K. Liaw , T. Yang

{"title":"Extraordinary strength-ductility synergy in chemically complex intermetallic alloys with hierarchical dual-phase nanostructures","authors":"W.C. Xiao , W.W. Xu , J.X. Zhang , J.Y. Zhang , S.F. Liu , B. Xiao , Y.H. Zhou , J. Ju , Q. Li , Y.L. Zhao , X.L. Wang , P.K. Liaw , T. Yang","doi":"10.1016/j.actamat.2025.121084","DOIUrl":"10.1016/j.actamat.2025.121084","url":null,"abstract":"<div><div>Developing structural materials with an excellent combination of strength and ductility is a parament task in advanced industries. Conventional intermetallic alloys (IMAs) usually suffer from insufficient ductility, which severely restricts their practical applications. In this study, we developed a novel high-performance bulk chemically complex intermetallic alloys (CCIMAs) in the multicomponent (Ni, Co)<sub>3</sub>(Si, Ti, Al) system. The microstructure, mechanical properties, and associated deformation behaviors were systematically investigated through combinational analyses such as three-dimensional atom probe tomography (3D-APT) and transmission electron microscope (TEM). By multi-step cold rolling and annealing path, the newly developed (Ni, Co)<sub>3</sub>(Si, Ti, Al)-type alloys show a unique hierarchical dual-phase nanostructure, exhibiting extraordinary strength and ductility at ambient temperature. The yield strength, tensile strength, and ductility can reach ∼1011 MPa, ∼1690 MPa, and 35 %, respectively. Detailed TEM and 3D-APT analyses revealed that the coherent Co-rich disordered nanoparticles precipitated out from the L1<sub>2</sub> matrix region. These reversely precipitated nanoparticles are mainly sheared by superlattice dislocation pairs and generate a significant strengthening effect. Superlattice stacking faults (SSFs) were also observed at large deformation due to the reduction of stacking fault energy and high stress level that reaches a critical value. These findings are expected to accelerate the innovative design of ultra-strong yet ductile intermetallic compounds for structural applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121084"},"PeriodicalIF":8.3,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877943","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

Modeling the viscosity and infiltration kinetics of silicate melt -thermal barrier coating systems based on deep-learning and experimental approach 基于深度学习和实验方法的硅酸盐熔体-热障涂层系统粘度和渗透动力学建模

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-25 DOI: 10.1016/j.actamat.2025.121081

Dongrui Liu , Wenjia Song , Wenting He , DonaldB. Dingwell , Hongbo Guo

{"title":"Modeling the viscosity and infiltration kinetics of silicate melt -thermal barrier coating systems based on deep-learning and experimental approach","authors":"Dongrui Liu , Wenjia Song , Wenting He , DonaldB. Dingwell , Hongbo Guo","doi":"10.1016/j.actamat.2025.121081","DOIUrl":"10.1016/j.actamat.2025.121081","url":null,"abstract":"<div><div>Spallation degradation of thermal barrier coatings (TBCs) caused by the infiltration of silicate melts (SMs) deteriorates the safety of aviation turbines. The SMs viscosities, which determine infiltration speed and thus the degradation of TBC, are highly dependent on SMs compositions and temperature gradients within the coatings. In this study, we developed machine learning (ML) models to accurately predict the viscosity of SMs. The training dataset comprised 7188 collected experimental data and 60,000 high-quality synthetic data generated by CTGAN. Our predictors achieved superior accuracy (R<sup>2</sup> > 0.97) compared to previous models. Using these models and extensive datasets, we analyzed the differences between natural silicates and the synthetic silicate melt analogs named CMAS and explored the impact of composition on viscosity through interpretability techniques and first-principles calculations. Furthermore, series of infiltration experiments were conducted to quantitatively evaluate the effects of viscosity and temperature gradients on SMs infiltration kinetics in TBCs. The complete data-stream from silicate composition to infiltration kinetics was modeled in this work.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121081"},"PeriodicalIF":8.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872343","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

Impact of micro and mesostructure on the fatigue crack growth in laser powder bed fusion fabricated AlSi10Mg 微观和中观结构对激光粉末床熔融制造 AlSi10Mg 中疲劳裂纹生长的影响

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2025-04-25 DOI: 10.1016/j.actamat.2025.121070

Moses J. Paul, Qian Liu, Xiaopeng Li, Jamie J. Kruzic, Upadrasta Ramamurty, Bernd Gludovatz

{"title":"Impact of micro and mesostructure on the fatigue crack growth in laser powder bed fusion fabricated AlSi10Mg","authors":"Moses J. Paul, Qian Liu, Xiaopeng Li, Jamie J. Kruzic, Upadrasta Ramamurty, Bernd Gludovatz","doi":"10.1016/j.actamat.2025.121070","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121070","url":null,"abstract":"Fatigue crack propagation in additive manufactured materials is often impacted by defects such as pores or lack of fusion and extensive research has been conducted to control pore formation and minimize their effect on fatigue life. The impact of process parameters on fatigue properties, however, has largely been overlooked. This study evaluates the effects of layer thickness, hatch spacing, scan strategy, and baseplate preheating on both the fatigue threshold and crack growth rates of laser powder bed fusion (LPBF) fabricated AlSi10Mg, tested in two orthogonal orientations. Five different LPBF process parameter sets were used and the resulting micro- and mesostructure characteristics were correlated with the fatigue crack growth (FCG) behavior. Results indicate that the FCG rates are significantly more influenced by hatch spacing and baseplate preheating than layer thickness and scan strategy. Across all parameter sets, the threshold region is governed primarily by the solidification cells, with the cells acting as barriers to short-crack propagation. Steady state crack growth initiates when the cyclic plastic zone size approaches the cell size. In the Paris regime, smaller hatch spacing induces a distinct change in the slope of the crack growth curve as the plastic zone size approaches the melt pool mesostructure scale. Preheating the baseplate during LPBF impacts both the fatigue threshold and the Paris regime. Anisotropy was found to be minimal in both the threshold and Paris regimes. However, substantial anisotropy is observed in the fast crack growth regime, which is caused by the crack growth along the melt pool boundaries.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"56 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872342","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

Grain size dependent indentation size effect and deformation mechanism in Y2O3 nanocrystalline ceramics Y2O3纳米晶陶瓷中晶粒尺寸相关的压痕效应及变形机制

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-24 DOI: 10.1016/j.actamat.2025.121077

Haomin Wang , Zehui Du , Yang Shi , Mao Deng , Wang Guo , Zhangyi Huang , Qingyuan Wang

{"title":"Grain size dependent indentation size effect and deformation mechanism in Y2O3 nanocrystalline ceramics","authors":"Haomin Wang , Zehui Du , Yang Shi , Mao Deng , Wang Guo , Zhangyi Huang , Qingyuan Wang","doi":"10.1016/j.actamat.2025.121077","DOIUrl":"10.1016/j.actamat.2025.121077","url":null,"abstract":"<div><div>The indentation size effects and deformation mechanisms in nanocrystalline yttria (Y<sub>2</sub>O<sub>3</sub>) ceramics remain largely unexplored. Our work systematically studies the grain size dependent indentation size effect and plastic deformation mechanism of Y<sub>2</sub>O<sub>3</sub> ceramics, with grain sizes varying from 18 nm to 10 μm. The grain size dependence of hardness shows an inverse Hall-Petch behavior at a critical grain size of ∼35 nm and below, together with an inflection in activation volume. For the Y<sub>2</sub>O<sub>3</sub> ceramics in the classical Hall-Petch region, indentation size effect can be described by geometrically necessary dislocations based on the Nix-Gao model, while in inverse Hall-Petch region, the indentation size effect can be attributed to geometrically necessary shear transformation clusters. Further TEM analysis and numerical analyses support the findings that the unusual indentation size effect can be associated with the unique deformation mechanisms, including grain boundary sliding, grain rotation and grain boundary migration. Moreover, the deformation-induced grain rotation and grain boundary migration are found to result in grain growth in nanocrystalline Y<sub>2</sub>O<sub>3</sub> ceramics. Our work sheds light on the unique mechanical behaviors of ceramics with extremely small grain sizes.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121077"},"PeriodicalIF":8.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872344","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 full-field model for hydrogen diffusion and trapping in two-phase microstructures: Application to thermal desorption spectroscopy of duplex stainless steel 氢在两相微观结构中的扩散和俘获的全场模型：在双相不锈钢热解吸光谱中的应用

IF 8.3 1区材料科学

Acta Materialia Pub Date : 2025-04-24 DOI: 10.1016/j.actamat.2025.121042

Abdelrahman Hussein , Margo Cauwels , Lisa Claeys , Tom Depover , Kim Verbeken

{"title":"A full-field model for hydrogen diffusion and trapping in two-phase microstructures: Application to thermal desorption spectroscopy of duplex stainless steel","authors":"Abdelrahman Hussein , Margo Cauwels , Lisa Claeys , Tom Depover , Kim Verbeken","doi":"10.1016/j.actamat.2025.121042","DOIUrl":"10.1016/j.actamat.2025.121042","url":null,"abstract":"<div><div>We present a fully kinetic, full-field model for hydrogen diffusion and trapping in two-phase microstructures. Trapping is described by a flux directed toward the center of trapping sites, spatially and temporally resolving the trapping kinetics. The model is used to analyze thermal desorption spectroscopy (TDS) in duplex stainless steel (DSS) under different charging times, showing good agreement with experimental results. We found that the charging time has a substantial effect on the shape of TDS curves and the underlying desorption kinetics. The 1-day charging condition resulted in accumulation of hydrogen at the edges compared to the bulk. The TDS curve for this condition is characterized by a main peak followed by a high-temperature tail. Analyzing the simulation results showed that the majority of the hydrogen accumulated at the edges desorbed, creating the main peak. The remaining fraction of this hydrogen diffused inward toward the center before desorbing, generating the tail. The 15-day charging and fully saturated conditions resulted in a shoulder preceding the main peak. Our analysis showed that in the low-temperature range of the TDS curve, fast desorption from the ferrite phase creates the shoulder. At higher temperatures, diffusion in the austenite phase accelerates, increasing the overall desorption rate and resulting in the main peak. The study concludes that the diffusion-based description provided by the presented model offers key details on desorption kinetics, particularly when the trapping phase is governed by diffusion, as in the case of DSS.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"292 ","pages":"Article 121042"},"PeriodicalIF":8.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866273","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

Hierarchical domain structures in buckled ferroelectric free sheets 屈曲无铁电片的层次结构

IF 9.4 1区材料科学

Acta Materialia Pub Date : 2025-04-24 DOI: 10.1016/j.actamat.2025.121080

David Pesquera, Kumara Cordero-Edwards, Marti Checa, Ilia Ivanov, Blai Casals, Marcos Rosado, José Manuel Caicedo, Laura Casado-Zueras, Javier Pablo-Navarro, César Magén, José Santiso, Neus Domingo, Gustau Catalan, Felip Sandiumenge

{"title":"Hierarchical domain structures in buckled ferroelectric free sheets","authors":"David Pesquera, Kumara Cordero-Edwards, Marti Checa, Ilia Ivanov, Blai Casals, Marcos Rosado, José Manuel Caicedo, Laura Casado-Zueras, Javier Pablo-Navarro, César Magén, José Santiso, Neus Domingo, Gustau Catalan, Felip Sandiumenge","doi":"10.1016/j.actamat.2025.121080","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121080","url":null,"abstract":"Flat elastic sheets tend to display wrinkles and folds. From pieces of clothing down to two-dimensional crystals, these corrugations appear in response to strain generated by sheet compression or stretching, thermal or mechanical mismatch with other elastic layers, or surface tension. Extensively studied in metals, polymers and, — more recently — in van der Waals exfoliated layers, with the advent of thin single crystal freestanding films of complex oxides, researchers are now paying attention to novel microstructural effects induced by bending ferroelectric-ferroelastics, where polarization is strongly coupled to lattice deformation. Here we show that wrinkle undulations in BaTiO<sub>3</sub> sheets bonded to a viscoelastic substrate transform into a buckle delamination geometry when transferred onto a rigid substrate. Using spatially resolved techniques at different scales (Raman, scanning probe and electron microscopy), we show how these delaminations in the free BaTiO<sub>3</sub> sheets display a self-organization of ferroelastic domains along the buckle profile that strongly differs from the more studied sinusoidal wrinkle geometry. Moreover, we disclose the hierarchical distribution of a secondary set of domains induced by the misalignment of these folding structures from the preferred in-plane crystallographic orientations. Our results disclose the relevance of the morphology and orientation of buckling instabilities in ferroelectric free sheets, for the stabilization of different domain structures, pointing to new routes for domain engineering of ferroelectrics in flexible oxide sheets.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"26 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872345","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