Acta Materialia最新文献

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Enhanced mechanical performance of HoB2-based compounds without sacrificing cryogenic magnetocaloric effects 在不牺牲低温磁热效应的情况下,增强了hob2基化合物的机械性能
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-12 DOI: 10.1016/j.actamat.2025.121227
Zexuan Wang , A.M. Döring , O. Vasylkiv , Xin Tang , K.P. Skokov , N. Terada , T. Ohkubo , O. Gutfleisch , H. Sepehri-Amin
{"title":"Enhanced mechanical performance of HoB2-based compounds without sacrificing cryogenic magnetocaloric effects","authors":"Zexuan Wang ,&nbsp;A.M. Döring ,&nbsp;O. Vasylkiv ,&nbsp;Xin Tang ,&nbsp;K.P. Skokov ,&nbsp;N. Terada ,&nbsp;T. Ohkubo ,&nbsp;O. Gutfleisch ,&nbsp;H. Sepehri-Amin","doi":"10.1016/j.actamat.2025.121227","DOIUrl":"10.1016/j.actamat.2025.121227","url":null,"abstract":"<div><div>Cryogenic magnetic cooling based on magnetocaloric effect is a promising technology for green and efficient hydrogen gas liquefaction. One of the major challenges for practical application is the lack of magnetocaloric materials that exhibit excellent cyclic performance in both magnetocaloric properties and fracture toughness. HoB₂, an intermetallic compound, exhibits a giant magnetocaloric effect, but its brittleness under mechanical stress hinders practical applications. In this work, we report a 12-fold increase in the fracture toughness by doping 10 at. % Cu into the HoB₂ system, from 2.6 to 35.1 MPa·m<sup>1/2</sup>. Vickers indentation tests followed by the microstructural evaluation revealed that the formation of (Ho, Cu)-rich intergranular phases with a fine distribution in the microstructure, encircling HoB<sub>2</sub>, suppresses the propagation of initiated cracks in HoB₂-based compounds, thereby improving their fracture toughness. In the 10 at. % Cu-doped sample, a (Ho, Cu)-rich intergranular phase was formed with an areal fraction of ∼18 %, while the content of the secondary HoB₄ phase, commonly observed in the Cu-free sample, was reduced. Notably, no Cu dissolution was found in the matrix phase. The fracture toughness improved significantly with minimal impact on magnetocaloric performance: the isothermal field-induced entropy change (Δ<em>S<sub>T</sub></em>) was marginally reduced from 20.1 to 18.2 J kg<sup>−1</sup> K<sup>−1</sup><sub>,</sub> and the adiabatic temperature change (∆<em>T</em><sub>ad</sub>) from 5.1 to 4.7 K in a 2 T magnetic field. The physical property analysis revealed that the sample containing the (Ho, Cu)-rich intergranular phase has lower magnetostriction, which can extend the life of the material in practical applications by reducing internal stress.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121227"},"PeriodicalIF":8.3,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144268923","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
Probing nanoscale variant distribution in a heterogenous α/β titanium alloy 非均相α/β钛合金纳米尺度变异分布的探测
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-12 DOI: 10.1016/j.actamat.2025.121148
Yandi Jia , Yingjie Ma , Rongpei Shi , Yuexin Zhou , Qian Wang , Sensen Huang , Min Qi , Dong Wang , Jiafeng Lei , Rui Yang
{"title":"Probing nanoscale variant distribution in a heterogenous α/β titanium alloy","authors":"Yandi Jia ,&nbsp;Yingjie Ma ,&nbsp;Rongpei Shi ,&nbsp;Yuexin Zhou ,&nbsp;Qian Wang ,&nbsp;Sensen Huang ,&nbsp;Min Qi ,&nbsp;Dong Wang ,&nbsp;Jiafeng Lei ,&nbsp;Rui Yang","doi":"10.1016/j.actamat.2025.121148","DOIUrl":"10.1016/j.actamat.2025.121148","url":null,"abstract":"<div><div>In titanium alloys, engineering highly heterogeneous <em>α</em>-phase precipitate microstructure—comprising micron-scale primary <em>α</em> and nano-scale secondary <em>α</em> precipitates—offers a promising strategy to bypass the strength-ductility trade-off. Beyond classical microstructure descriptors (e.g., volume fraction, size, shape, orientation, coherency state, and spatial distribution), the variant distribution of precipitates crucially governs mechanical properties. However, the variant distribution behavior remains poorly understood for super-refined <em>α</em> precipitate (<span><math><mrow><mo>&lt;</mo><mn>100</mn><mspace></mspace><mtext>nm</mtext></mrow></math></span>). For the first time, this work systematically investigates the size-dependent variant distribution of <em>α</em> precipitates in an <em>α</em>/<em>β</em> Ti alloy by integrating Transmission Kikuchi Diffraction (TKD) characterization and crystallographic analysis. Notably, inter-variant misorientation is quantified using misorientation axis analysis rather than conventional angular thresholds. A precipitate size-dependent variant distribution is identified, where the spatial correlation and occurrence frequency of <em>α</em> variants linked by the Type B misorientation axis-angle pair <span><math><mrow><msub><mrow><mo>[</mo><mover><mrow><mn>1</mn></mrow><mo>‾</mo></mover><mn>2</mn><mover><mrow><mn>1</mn></mrow><mo>‾</mo></mover><mn>0</mn><mo>]</mo></mrow><mi>α</mi></msub><mo>/</mo><mn>60.0</mn><mtext>°</mtext></mrow></math></span> strengthens as precipitate size decreases. These experimental observations are validated through phase-field simulations that generate <em>α</em> precipitates with varying sizes and number densities. Mechanistic analysis reveals that finer <em>α</em> precipitates, formed via an <em>ω</em>-assisted nucleation mechanism, amplify elastic interactions that promote strain-induced correlated nucleation, driving the stronger preference of Type B inter-variant correlations. The study provides crucial insights into the distribution and characteristics of the super-refined <em>α</em> phase in titanium alloys and may contribute to the understanding of deformation mechanism of the highly heterogeneous precipitate microstructure.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121148"},"PeriodicalIF":8.3,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263723","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
Glass formation during combinatorial sputtering in binary alloys 二元合金组合溅射过程中玻璃的形成
IF 9.4 1区 材料科学
Acta Materialia Pub Date : 2025-06-12 DOI: 10.1016/j.actamat.2025.121240
Salena Huang, Sebastian A. Kube, Nathan S. Johnson, Sungwoo Sohn, Apurva Mehta, Jan Schroers
{"title":"Glass formation during combinatorial sputtering in binary alloys","authors":"Salena Huang, Sebastian A. Kube, Nathan S. Johnson, Sungwoo Sohn, Apurva Mehta, Jan Schroers","doi":"10.1016/j.actamat.2025.121240","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121240","url":null,"abstract":"Glass formation is a complex phenomenon influenced by thermodynamic and kinetic aspects, which are often controlled by extrinsic contributions. While bulk metallic glasses are typically multicomponent alloys, binary alloys offer a simplified approach to studying glass formation. In this study, we fabricated 57 binary alloy systems through combinatorial sputtering, where each alloy system is represented in 66 different alloys. We developed an automated analysis to determine structure and composition using X-ray diffraction and energy-dispersive X-ray spectroscopy for over 3700 alloys. We found that ∼17% of the alloys form glasses under the estimated cooling rate during sputtering of ∼10<sup>8</sup> K/s. Data analysis revealed that commonly used factors like atomic size ratio and heat of mixing are ineffective in predicting glass formation. However, the crystal structure mismatch of the alloys’ elements emerged as the strongest indicator of glass formation under sputtering conditions of binary alloys. The differences in glass formation under slow cooling rates used for bulk glass formation and the here observed glass formation under rapid cooling rates are discussed.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"6 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144269149","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
Temperature-dependent interplay of intra- and inter-granular deformation mechanisms in Mg-10Y: Statistical analysis from an HRDIC perspective Mg-10Y晶内和晶间变形机制的温度依赖相互作用:基于HRDIC视角的统计分析
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-12 DOI: 10.1016/j.actamat.2025.121256
Ran Ni , Carl J. Boehlert , Bo Chen , Yuanshuai Zhang , Ying Zeng , Jiang Zheng , Hao Zhou , Qudong Wang , Dongdi Yin
{"title":"Temperature-dependent interplay of intra- and inter-granular deformation mechanisms in Mg-10Y: Statistical analysis from an HRDIC perspective","authors":"Ran Ni ,&nbsp;Carl J. Boehlert ,&nbsp;Bo Chen ,&nbsp;Yuanshuai Zhang ,&nbsp;Ying Zeng ,&nbsp;Jiang Zheng ,&nbsp;Hao Zhou ,&nbsp;Qudong Wang ,&nbsp;Dongdi Yin","doi":"10.1016/j.actamat.2025.121256","DOIUrl":"10.1016/j.actamat.2025.121256","url":null,"abstract":"<div><div>To uncover the anomalous temperature-dependent slip activity (decreased non-basal slip activity with increasing temperature) in polycrystalline Mg-10Y (wt. %) during compression, the deformation mode activity was quantitatively investigated using high-resolution digital image correlation (HRDIC) and electron backscattered diffraction (EBSD) data fusion. The deformed microstructural patches that were characterized contained ∼300 grains and ∼800 grain boundaries (GBs), and ∼45 million measured strain data were acquired to statistically interrogate both intra- and inter-granular mechanisms. From a strain-partitioning perspective, the competition between slip bands (SBs) and grain mantles (GMs, the region near GBs) was quantified. At 25 °C, the SB deformation, in terms of the mean effective shear strain ratio (SR), was ∼2.5 times greater than that of the GM. As temperature increased (up to 300 °C), the SR discrepancy between the SB and the GM decreased significantly. The prevalent SB mode transitioned from multiple slip at 25–200 °C to single slip at 300 °C. Basal slip was dominant at 25 °C and the percentage of non-basal slip increased from 22.4% at 25 °C to 41.5% at 200 °C and then it anomalously decreased to 10.6% at 300 °C. At 300 °C, the surface GB sliding (GBS) increased significantly compared to that at 25 °C, with mean value of the GBS displacements increasing from 1.2±7.8 to 18.3±27.9 nm and the percentage of GBs in which displacements were observed increased from 4.2% to 53.9%. This work emphasizes the importance of simultaneously evaluating both intra- and inter-granular deformation mechanisms for polycrystalline microstructures.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121256"},"PeriodicalIF":8.3,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144268922","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
Twinning-dominated scratch mechanism transitions in commercial pure Titanium from micro to macro scales 商品纯钛的孪生主导划痕机制由微观向宏观转变
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-11 DOI: 10.1016/j.actamat.2025.121254
Fei Liang , Bowen Zhang , Shuaizhuo Wang , Jiale Nan , Yan Lin , Yusheng Li , Wei Chen , Hongyuan Wan , Yuntian Zhu , Xiang Chen
{"title":"Twinning-dominated scratch mechanism transitions in commercial pure Titanium from micro to macro scales","authors":"Fei Liang ,&nbsp;Bowen Zhang ,&nbsp;Shuaizhuo Wang ,&nbsp;Jiale Nan ,&nbsp;Yan Lin ,&nbsp;Yusheng Li ,&nbsp;Wei Chen ,&nbsp;Hongyuan Wan ,&nbsp;Yuntian Zhu ,&nbsp;Xiang Chen","doi":"10.1016/j.actamat.2025.121254","DOIUrl":"10.1016/j.actamat.2025.121254","url":null,"abstract":"<div><div>Scratch-induced subsurface microstructure evolution and intrinsic deformation mechanisms play a decisive role in determining the scratch resistance of metallic materials. In hexagonal close-packed (HCP) metals, known for their complex twinning behavior, the microstructural origins governing scratch processes remain poorly understood. Here, we report a three-stage relationship between the wear rate and loading scale in commercial pure titanium (Ti) under single-pass scratching. Cross-sectional microstructure characterization and in-situ strain field analysis reveal dual transitions in the twinning-dominated scratch mechanisms that underpin this relationship. In the load range of 0.05 N-10 N (micro-scale), the wear rate initially declines in stage Ⅰ and then stabilizes in stage Ⅱ with increasing load, marking the first transition from periodic shear driven by surface-nucleated twinning to stable material removal facilitated by a topmost nanograined layer formed through subsurface deformation twins. In the load range of 10 N-50 N (macro-scale), the wear rate rises in stage Ⅲ, corresponding to the second transition in scratch mechanisms, where microstructure heterogeneity ahead of the indenter leads to massive delamination, associated with local nanocrystallization within the twin lamellae. Our findings offer insights into designing scratch-resistant Ti and other HCP alloys through tailoring the twin structure, with implications for improving their surface quality in response to various machining and forming processes.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121254"},"PeriodicalIF":8.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144268925","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
Crystal nucleation and growth dynamics of aluminum via quantum-accurate MD simulations 基于量子精确MD模拟的铝晶体成核和生长动力学
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-11 DOI: 10.1016/j.actamat.2025.121245
Azat Tipeev, Edgar D. Zanotto
{"title":"Crystal nucleation and growth dynamics of aluminum via quantum-accurate MD simulations","authors":"Azat Tipeev,&nbsp;Edgar D. Zanotto","doi":"10.1016/j.actamat.2025.121245","DOIUrl":"10.1016/j.actamat.2025.121245","url":null,"abstract":"<div><div>The experimental study of crystal nucleation and growth in deeply supercooled liquids is challenging because of the minuscule size of the critical nuclei and the short timescales involved. Computational simulations have become powerful tools to overcome these challenges; however, they are often biased by predefined interatomic potential functions, which may lack transferability, oversimplify complex atomic interactions, and struggle to accurately capture phase transitions. In this work, we present a comprehensive molecular dynamics (MD) study of crystal nucleation and growth in aluminum, using a recently developed machine learning (ML) model trained exclusively on liquid-phase DFT configurations – without any prior knowledge of solid properties and structures. This ML model accurately reproduces key thermodynamic and structural properties of real aluminum, including heat capacity, lattice parameter, and melting point. We investigate spontaneous and seeded crystallization in the temperature ranges <em>T</em>=500–540 K and <em>T</em>=600–790 K, identifying emergent crystalline clusters using the pair entropy fingerprint method, independent of predefined crystal patterns. The homogeneous nucleation rate, <em>J</em>, was calculated by Classical Nucleation Theory (CNT) using MD-derived properties, without any fitting parameters. There was an excellent agreement between theoretical predictions and direct MD-derived values of <em>J</em>, corroborating the validity of CNT. Additionally, the computed solid-liquid interfacial free energy was consistent with experimental estimates. Furthermore, crystal growth dynamics from both spontaneously formed nuclei and inserted seeds were accurately described by the Turnbull-Fisher (TF) model, using simulation-derived parameters. This finding was corroborated by an additional analysis of crystal growth in a two-million-atom Lennard-Jones (LJ) liquid at four temperatures. The macroscopic growth rates predicted by the TF model showed good consistency with independently computed values for flat LJ surfaces. Notably, at 10% supercooling, the theoretical growth rate derived from MD data on nanosized LJ nuclei aligns exceptionally well with recent experimental measurements for pure argon (a proxy for an LJ system). Thus, this research bridges the gap between experiments, theory, and simulations in crystal nucleation and growth. Overall, this study demonstrates that an ML-driven, crystal-unbiased model can accurately capture the kinetics and thermodynamics of crystallization, validating two classical phenomenological theories at the atomic scale.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121245"},"PeriodicalIF":8.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144269152","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
MX precipitate behavior in an irradiated advanced Fe-9Cr steel: Helium effects on phase stability 辐照高级Fe-9Cr钢中MX析出行为:氦对相稳定性的影响
IF 9.4 1区 材料科学
Acta Materialia Pub Date : 2025-06-11 DOI: 10.1016/j.actamat.2025.121202
T.M. Kelsy Green, Tim Graening, Weicheng Zhong, Ying Yang, Kevin G. Field
{"title":"MX precipitate behavior in an irradiated advanced Fe-9Cr steel: Helium effects on phase stability","authors":"T.M. Kelsy Green, Tim Graening, Weicheng Zhong, Ying Yang, Kevin G. Field","doi":"10.1016/j.actamat.2025.121202","DOIUrl":"https://doi.org/10.1016/j.actamat.2025.121202","url":null,"abstract":"As part of an ongoing series aimed at optimizing Fe-9Cr reduced activation ferritic/martensitic (RAFM) alloys for fusion energy systems, this study explores MX precipitate behavior under dual-ion irradiations, specifically examining correlations between helium transmutation and irradiation-induced damage. Utilizing single and dual-beam ion irradiation, the research explores the combined effects of helium (10-25 appm He/dpa), temperature (400-600°C), and damage levels (15-100 dpa) on the microstructural evolution of CNA9 steel, a variant of Castable Nanostructured Alloys (CNAs). The study demonstrates that helium co-implantation hinders radiation-enhanced coarsening of MX-TiC precipitates at 500 and 600°C, maintaining MX-TiC precipitate stability at moderate damage levels (15 dpa) but failing to prevent complete precipitate dissolution at higher damage levels (≥50 dpa) when irradiated at 500°C. A generalized precipitate stability model suggests that helium-induced suppression of diffusion alters the balance between recoil resolution and back diffusion for MX-TiC precipitates, enhancing the current understanding of precipitate behavior under damage and transmutation simulated dual-ion irradiation conditions.","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"5 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144268924","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
Mechanics of cracking and delamination in 3D-printed microelectronic films 3d打印微电子薄膜的开裂和分层机理
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-10 DOI: 10.1016/j.actamat.2025.121244
Chunshan Hu , Sanjida Jahan , Rahul Panat
{"title":"Mechanics of cracking and delamination in 3D-printed microelectronic films","authors":"Chunshan Hu ,&nbsp;Sanjida Jahan ,&nbsp;Rahul Panat","doi":"10.1016/j.actamat.2025.121244","DOIUrl":"10.1016/j.actamat.2025.121244","url":null,"abstract":"<div><div>Integrity of thin films with micron-sized thickness is of high importance to the microelectronics industry. The mechanisms and mechanics of the cracking of such films made by conventional methods such as chemical and/or physical vapor deposition are well understood. Printed electronic techniques have recently emerged that allow films of various functional materials to be fabricated on-demand via nanoparticle printing followed by sintering. The failure mechanisms in such cases, however, are strongly influenced by the fabrication technique and the material used, but this dependence is not well understood. In this research, we study the mechanisms of cracking and delamination of Aerosol Jet (AJ) 3D nano-printed gold films on ceramic substrates. The layer-by-layer film fabrication allows the determination of effect of each process step (printing, drying, and sintering) on film stress and failure. We show that film cracking occurs only during the film drying phase (i.e., immediately following printing), and is relatively independent of the underlying substrate. We also show that the most significant factor affecting cracking is the glass transition temperature (<em>T</em><sub><em>g</em></sub>) of the binder in the printed film (which is removed during sintering but is present during printing and drying); with drying-induced capillary stress giving rise to the classic ‘mud-cracking’. In other words, if printing is done close to the <em>T</em><sub><em>g</em></sub> of the binder, the system becomes unusually strain tolerant and cracking can be avoided. As expected, the delamination is found to be a function of the film-substrate interface interaction. Finally, we develop failure mechanism maps for printed electronic films and determine the thickness below which reliable films can be fabricated. This work lays the foundation of engineering strategies for the reliable fabrication of electronic films via 3D printing.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121244"},"PeriodicalIF":8.3,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144260619","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
Influence of elastic energy on the microstructure of nano TiNi2Sn precipitates within a Half-Heusler TiNiSn matrix 弹性能对半heusler TiNiSn基体中纳米tin2sn析出物微观结构的影响
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-10 DOI: 10.1016/j.actamat.2025.121243
M. Shmulevitsh , Y. Gelbstein , Y.W. Chai , R.Z. Shneck
{"title":"Influence of elastic energy on the microstructure of nano TiNi2Sn precipitates within a Half-Heusler TiNiSn matrix","authors":"M. Shmulevitsh ,&nbsp;Y. Gelbstein ,&nbsp;Y.W. Chai ,&nbsp;R.Z. Shneck","doi":"10.1016/j.actamat.2025.121243","DOIUrl":"10.1016/j.actamat.2025.121243","url":null,"abstract":"<div><div>The precipitation of the Heusler TiNi<sub>2</sub>Sn phase in TiNiSn half-Heusler alloys during the aging treatment of the alloys has a beneficial effect on their thermoelectric properties. In this study, we estimate the role of elastic energy on the evolution of the precipitates' morphology in these alloys, emphasizing the influence of elastic inhomogeneity compared to published experimental observations. TiNi<sub>2</sub>Sn precipitates exhibiting minimal elastic energy in the geometrical shape of a disk with a low aspect ratio at a {100} orientation. Experimentally, disk-shaped precipitates with an aspect ratio (c/a) of about 1/9 along different 〈100〉 directions are observed at the peak-aged condition. The restriction on a coherent thin precipitate necessitates a tetragonal deviation from the cubic structure. The calculated tetragonality for TiNi<sub>2</sub>Sn precipitates is about 1.07, which agrees with the experiment. As is common in many metallic alloys, the precipitates in TiNiSn are partially ordered due to elastic interactions. Pair elastic interaction energy favors thin-face to thin-face configurations and a particular head-to-tail arrangement that is an outcome of the elastic inhomogeneity of the material. All these configurations align well with experimental observations.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121243"},"PeriodicalIF":8.3,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144260747","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
Computational design and experimental verification of Ta-Ni-Co metallic glasses produced via gas atomization 气雾化法制备钽镍钴金属玻璃的计算设计与实验验证
IF 8.3 1区 材料科学
Acta Materialia Pub Date : 2025-06-10 DOI: 10.1016/j.actamat.2025.121206
Jerry Howard , Grace Suenram , Forest Thompson , Paige Murray , Dev Chidambaram , Grant Crawford , Krista Carlson
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