Semiconducting quasicrystals and their approximant crystals (ACs) have attracted significant attention because of their potential applications as thermoelectric materials. Herein, we report the synthesis of a semiconducting AC in the Al–Ge–Ru system and its thermoelectric properties. The Al–Ge–Ru AC exhibited a band gap of approximately 0.25 eV. Notably, we observed a negative Seebeck coefficient, which reached a maximum magnitude of 200 µV K−1, marking the first example of an n-type semiconducting AC. The Al74Ge4Ru22 AC exhibiting degenerate semiconductor behavior reached a dimensionless figure of merit of 0.28 at a peak temperature of 473 K. This represents the highest figure of merit achieved to date for a quasicrystalline-based thermoelectric material.
{"title":"Thermoelectric properties of semiconducting approximant crystals in the Al–Ge–Ru system","authors":"Yutaka Iwasaki , Yasuhiro Niwa , Koichi Kitahara , Kaoru Kimura , Ryuji Tamura","doi":"10.1016/j.scriptamat.2025.117100","DOIUrl":"10.1016/j.scriptamat.2025.117100","url":null,"abstract":"<div><div>Semiconducting quasicrystals and their approximant crystals (ACs) have attracted significant attention because of their potential applications as thermoelectric materials. Herein, we report the synthesis of a semiconducting AC in the Al–Ge–Ru system and its thermoelectric properties. The Al–Ge–Ru AC exhibited a band gap of approximately 0.25 eV. Notably, we observed a negative Seebeck coefficient, which reached a maximum magnitude of 200 µV K<sup>−1</sup>, marking the first example of an n-type semiconducting AC. The Al<sub>74</sub>Ge<sub>4</sub>Ru<sub>22</sub> AC exhibiting degenerate semiconductor behavior reached a dimensionless figure of merit of 0.28 at a peak temperature of 473 K. This represents the highest figure of merit achieved to date for a quasicrystalline-based thermoelectric material.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117100"},"PeriodicalIF":5.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-17DOI: 10.1016/j.scriptamat.2025.117092
Wenhao Zhang, Li Zhang, Shaolong Tang
This study employed spherical single-crystal Nd₂Fe₁₄B powder with a particle size of 100–150 μm as the precursor to investigate the effect of the disproportionation temperature (THD) during the Hydrogenation-Disproportionation-Desorption-Recombination (HDDR) process on the microstructural evolution and magnetic properties. At THD = 830 °C, the disproportionation reaction proceeded most completely, resulting in a typical lamellar morphology in the disproportionation phase. After desorption-recombination, the material developed submicron-sized grains (< 300 nm) with a distinct texture, where the grain size approached the single-domain critical size of Nd₂Fe₁₄B. Simultaneously, a relatively continuous Nd-rich phase formed along the grain boundaries. The resulting magnetic powder exhibited excellent comprehensive magnetic properties: remanence (Br) = 1.23 T, coercivity (Hcj) = 1093.8 kA/m, and maximum energy product ((BH)max) = 244.8 kJ/m3. This study demonstrates the feasibility of directly preparing anisotropic HDDR spherical magnetic powder from spherical single-crystal precursors.
{"title":"Optimizing microstructure and enhancing magnetic properties of anisotropic Nd-Fe-B spherical magnetic powders via regulating disproportionation temperature","authors":"Wenhao Zhang, Li Zhang, Shaolong Tang","doi":"10.1016/j.scriptamat.2025.117092","DOIUrl":"10.1016/j.scriptamat.2025.117092","url":null,"abstract":"<div><div>This study employed spherical single-crystal Nd₂Fe₁₄B powder with a particle size of 100–150 μm as the precursor to investigate the effect of the disproportionation temperature (T<sub>HD</sub>) during the Hydrogenation-Disproportionation-Desorption-Recombination (HDDR) process on the microstructural evolution and magnetic properties. At T<sub>HD</sub> = 830 °C, the disproportionation reaction proceeded most completely, resulting in a typical lamellar morphology in the disproportionation phase. After desorption-recombination, the material developed submicron-sized grains (< 300 nm) with a distinct texture, where the grain size approached the single-domain critical size of Nd₂Fe₁₄B. Simultaneously, a relatively continuous Nd-rich phase formed along the grain boundaries. The resulting magnetic powder exhibited excellent comprehensive magnetic properties: remanence (B<sub>r</sub>) = 1.23 T, coercivity (H<sub>cj</sub>) = 1093.8 kA/m, and maximum energy product ((BH)<sub>max</sub>) = 244.8 kJ/m<sup>3</sup>. This study demonstrates the feasibility of directly preparing anisotropic HDDR spherical magnetic powder from spherical single-crystal precursors.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117092"},"PeriodicalIF":5.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Multi-scale atomistic simulations investigated the role of interstitial hydrogen in modulating the room-temperature carbon Snoek response in single-crystal bcc-iron. Complementary local dynamical mechanical analysis (nano-dma) experiments revealed an enhanced/stronger carbon Snoek response in the presence of interstitial hydrogen. This originated from elastic-plastic deformation gradients imposed through electrolytically charged hydrogen. Deformation gradients were conclusively established through ‘direct’ observations from X-ray and electron diffraction. The latter, in particular, provided microscopic evidence of hydrogen content and/or activity; and thereby holds ‘uncharted’ potentials for future research.
{"title":"Elastic-plastic deformation gradients and electrolytically charged hydrogen","authors":"Sanjay Manda , Junaid Akhter , Bhargav Sudhalkar , Madhur Gupta , A. Durgaprasad , Aditya Prakash , Subrata Mukherjee , Ajay S. Panwar , Indradev Samajdar","doi":"10.1016/j.scriptamat.2025.117105","DOIUrl":"10.1016/j.scriptamat.2025.117105","url":null,"abstract":"<div><div>Multi-scale atomistic simulations investigated the role of interstitial hydrogen in modulating the room-temperature carbon Snoek response in single-crystal bcc-iron. Complementary local dynamical mechanical analysis (nano-dma) experiments revealed an enhanced/stronger carbon Snoek response in the presence of interstitial hydrogen. This originated from elastic-plastic deformation gradients imposed through electrolytically charged hydrogen. Deformation gradients were conclusively established through ‘direct’ observations from X-ray and electron diffraction. The latter, in particular, provided microscopic evidence of hydrogen content and/or activity; and thereby holds ‘uncharted’ potentials for future research.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117105"},"PeriodicalIF":5.6,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-15DOI: 10.1016/j.scriptamat.2025.117101
Yuming Mao , Jingji Zhang , Mo Chen , Min Fang , Ning Yan , Zhihao Lou , Yun Zhou
The weakly polar relaxor Sr₀.₇Bi₀.₂TiO₃ is renowned for its exceptional energy efficiency but suffers from low maximum polarization. To overcome this trade-off, we introduce BiNi2/3Ta1/3O₃ to design a composite structure of coexisting ferroelectric A4B3O12 and paraelectric ABO₃ phases. With increasing dopant, the A4B3O12 phase is progressively replaced by paraelectric ABO₃ and pyrochlore Bi2Ti2O7, raising the phase-transition temperature. The optimal composition comprises 70.67% P4/mbm ABO₃, 28.49% Fmmm A4B3O12, 0.75% Fd3m Bi2Ti2O7, and 0.09% Pnna BiTaO4, forming polar clusters and a coherent boundary between the ABO₃ and A4B3O12 phases. This yields a high energy storage density of 5.12 J cm-3 an ultrahigh efficiency of 97.13% at a high breakdown strength of 460 kV cm-1, together with a figure of merit of 175.90 J cm-3 and environment-independent stability. These results establish the composite as a highly promising candidate for high-performance dielectric energy-storage devices.
{"title":"Boosting energy storage at moderate fields in Sr₀.₇Bi₀.₂TiO₃ weakly polar relaxor via BiNi2/3Ta1/3O₃-induced ferroelectric-paraelectric composite structure","authors":"Yuming Mao , Jingji Zhang , Mo Chen , Min Fang , Ning Yan , Zhihao Lou , Yun Zhou","doi":"10.1016/j.scriptamat.2025.117101","DOIUrl":"10.1016/j.scriptamat.2025.117101","url":null,"abstract":"<div><div>The weakly polar relaxor Sr₀.₇Bi₀.₂TiO₃ is renowned for its exceptional energy efficiency but suffers from low maximum polarization. To overcome this trade-off, we introduce BiNi<sub>2/3</sub>Ta<sub>1/3</sub>O₃ to design a composite structure of coexisting ferroelectric A<sub>4</sub>B<sub>3</sub>O<sub>12</sub> and paraelectric ABO₃ phases. With increasing dopant, the A<sub>4</sub>B<sub>3</sub>O<sub>12</sub> phase is progressively replaced by paraelectric ABO₃ and pyrochlore Bi<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub>, raising the phase-transition temperature. The optimal composition comprises 70.67% <em>P</em>4/<em>mbm</em> ABO₃, 28.49% <em>Fmmm</em> A<sub>4</sub>B<sub>3</sub>O<sub>12</sub>, 0.75% <em>Fd</em>3<em>m</em> Bi<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub>, and 0.09% <em>Pnna</em> BiTaO<sub>4</sub>, forming polar clusters and a coherent boundary between the ABO₃ and A<sub>4</sub>B<sub>3</sub>O<sub>12</sub> phases. This yields a high energy storage density of 5.12 J cm<sup>-3</sup> an ultrahigh efficiency of 97.13% at a high breakdown strength of 460 kV cm<sup>-1</sup><strong>,</strong> together with a figure of merit of 175.90 J cm<sup>-3</sup> and environment-independent stability. These results establish the composite as a highly promising candidate for high-performance dielectric energy-storage devices.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117101"},"PeriodicalIF":5.6,"publicationDate":"2025-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-14DOI: 10.1016/j.scriptamat.2025.117102
B. Yu , C. Pelligra , S. Asqardoust , Y. Emun , K. Abu Samk , H. Azizi , Y. Brechet , H. Zurob
Lüders banding in carbon steel is a manifestation of discontinuous yielding and limits the formability and surface quality of the steel. In this study, we explore the role of microstructure heterogeneity in suppressing the formation of Luder band. A ferritic steel was processed by decarburization, cold rolling, and controlled annealing to induce partial recrystallization and develop a heterogeneous grain structure. This micro-architectured material resembles a functionally graded structure and inhibits the propagation of Lüders bands. We propose a simple model in which heterogeneity disrupts the spatial coherence of yield front propagation. Suppression of Lüders bands was confirmed through tensile testing with micro- digital image correlation (DIC) and in-situ micro-tensile testing in Scanning Electron Microscopy (SEM). This heterostructure engineering approach demonstrates a viable alternative strategy for tuning the deformation behavior of ferritic steel.
{"title":"On the effect of microstructural heterogeneity on yield point phenomena in architectured steel: Revealed by in-situ micro-digital image correlation (μDIC)","authors":"B. Yu , C. Pelligra , S. Asqardoust , Y. Emun , K. Abu Samk , H. Azizi , Y. Brechet , H. Zurob","doi":"10.1016/j.scriptamat.2025.117102","DOIUrl":"10.1016/j.scriptamat.2025.117102","url":null,"abstract":"<div><div>Lüders banding in carbon steel is a manifestation of discontinuous yielding and limits the formability and surface quality of the steel. In this study, we explore the role of microstructure heterogeneity in suppressing the formation of Luder band. A ferritic steel was processed by decarburization, cold rolling, and controlled annealing to induce partial recrystallization and develop a heterogeneous grain structure. This micro-architectured material resembles a functionally graded structure and inhibits the propagation of Lüders bands. We propose a simple model in which heterogeneity disrupts the spatial coherence of yield front propagation. Suppression of Lüders bands was confirmed through tensile testing with micro- digital image correlation (DIC) and <em>in-situ</em> micro-tensile testing in Scanning Electron Microscopy (SEM). This heterostructure engineering approach demonstrates a viable alternative strategy for tuning the deformation behavior of ferritic steel.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117102"},"PeriodicalIF":5.6,"publicationDate":"2025-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-13DOI: 10.1016/j.scriptamat.2025.117099
Yujie Song , Huichao Duan , Tao Zheng , Qianning Dai , Kui Du
Grain rotation plays a critical role in grain growth of nanocrystalline materials, yet the underlying atomic-scale mechanisms, especially for large-angle rotation, remain poorly understood. Here, we report a 62.4° lattice rotation in Cu3Pd nanocrystals by in-situ atomic resolution transmission electron microscopy (TEM) images. This rotation proceeds via a sequential two-step mechanism: double-shear-driven structural transition followed by atomic shuffling. The large-angle rotation suggests a potential coalescence between adjacent grains and provides an atomic-scale explanation for abnormal grain growth in intermetallic nanocrystals. These experiments establish a novel shear-shuffle paradigm for grain rotation, offering a new framework for understanding the structural evolution and nanocrystal coalescence.
{"title":"Direct atomic observation of large-angle lattice rotation in Cu3Pd","authors":"Yujie Song , Huichao Duan , Tao Zheng , Qianning Dai , Kui Du","doi":"10.1016/j.scriptamat.2025.117099","DOIUrl":"10.1016/j.scriptamat.2025.117099","url":null,"abstract":"<div><div>Grain rotation plays a critical role in grain growth of nanocrystalline materials, yet the underlying atomic-scale mechanisms, especially for large-angle rotation, remain poorly understood. Here, we report a 62.4° lattice rotation in Cu<sub>3</sub>Pd nanocrystals by <em>in-situ</em> atomic resolution transmission electron microscopy (TEM) images. This rotation proceeds via a sequential two-step mechanism: double-shear-driven structural transition followed by atomic shuffling. The large-angle rotation suggests a potential coalescence between adjacent grains and provides an atomic-scale explanation for abnormal grain growth in intermetallic nanocrystals. These experiments establish a novel shear-shuffle paradigm for grain rotation, offering a new framework for understanding the structural evolution and nanocrystal coalescence.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117099"},"PeriodicalIF":5.6,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
While the deformation mechanisms of Al-SiC nanolaminates under quasi-static and low stain rate conditions have been extensively studied, their behavior under ultra-high strain rates are not well-understood. Here we report on the high strain-rate behavior of Al-SiC metal-ceramic nanolaminates with layer thicknesses ranging from 10 to 100 nm by nanoindentation tests and laser induced microparticle impact tests. The effective strain rates spanned nine orders of magnitude, ranging from 10–1 to 108 s-1. While the hardness of Al-SiC nanolaminates strongly depends on layer thickness at low strain rates, the differences progressively decreased with increasing strain rate, ultimately converging under ultra-high strain rate impact. At low strain rates, deformation progresses slowly, layer by layer; whereas with increasing strain rate, it transitions toward continuum, bulk-like behavior, where a large number of layers deform collectively and the mechanical response becomes increasingly governed by the volume fraction rather than the layer thickness of the constituents.
{"title":"Deformation of metal-ceramic nanolaminates at extreme strain rates","authors":"Jianxiong Li , Qi Tang , Nikhilesh Chawla , Mostafa Hassani","doi":"10.1016/j.scriptamat.2025.117089","DOIUrl":"10.1016/j.scriptamat.2025.117089","url":null,"abstract":"<div><div>While the deformation mechanisms of Al-SiC nanolaminates under quasi-static and low stain rate conditions have been extensively studied, their behavior under ultra-high strain rates are not well-understood. Here we report on the high strain-rate behavior of Al-SiC metal-ceramic nanolaminates with layer thicknesses ranging from 10 to 100 nm by nanoindentation tests and laser induced microparticle impact tests. The effective strain rates spanned nine orders of magnitude, ranging from 10<sup>–1</sup> to 10<sup>8</sup> s<sup>-1</sup>. While the hardness of Al-SiC nanolaminates strongly depends on layer thickness at low strain rates, the differences progressively decreased with increasing strain rate, ultimately converging under ultra-high strain rate impact. At low strain rates, deformation progresses slowly, layer by layer; whereas with increasing strain rate, it transitions toward continuum, bulk-like behavior, where a large number of layers deform collectively and the mechanical response becomes increasingly governed by the volume fraction rather than the layer thickness of the constituents.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117089"},"PeriodicalIF":5.6,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-11DOI: 10.1016/j.scriptamat.2025.117082
Mathieu Calvat , Chris Bean , Dhruv Anjaria , Haoren Wang , Kenneth Vecchio , J.C. Stinville
Encoding metal plasticity captured from high-resolution digital image correlation (HR-DIC) is leveraged to predict a wide range of monotonic and cyclic macroscopic properties of metallic materials. To capture the spatial heterogeneity of plasticity that develops in metals, latent space features describing plasticity of small regions are spatially mapped across large fields. These latent space feature maps capture the complexity and heterogeneity of metal plasticity as a low-dimensional representation. These feature maps are then used to train a convolutional neural network-based model to predict monotonic and cyclic macroscopic properties. The approach is demonstrated on a large set of face-centered cubic metals, enabling rapid and accurate property prediction.
{"title":"Plasticity encoding and mapping during elementary loading for accelerated mechanical properties prediction","authors":"Mathieu Calvat , Chris Bean , Dhruv Anjaria , Haoren Wang , Kenneth Vecchio , J.C. Stinville","doi":"10.1016/j.scriptamat.2025.117082","DOIUrl":"10.1016/j.scriptamat.2025.117082","url":null,"abstract":"<div><div>Encoding metal plasticity captured from high-resolution digital image correlation (HR-DIC) is leveraged to predict a wide range of monotonic and cyclic macroscopic properties of metallic materials. To capture the spatial heterogeneity of plasticity that develops in metals, latent space features describing plasticity of small regions are spatially mapped across large fields. These latent space feature maps capture the complexity and heterogeneity of metal plasticity as a low-dimensional representation. These feature maps are then used to train a convolutional neural network-based model to predict monotonic and cyclic macroscopic properties. The approach is demonstrated on a large set of face-centered cubic metals, enabling rapid and accurate property prediction.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117082"},"PeriodicalIF":5.6,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-10DOI: 10.1016/j.scriptamat.2025.117088
Jingyao He , Fan Zhang , Zezhou Li , Shipan Yin , Qinghui Tang , Linbing Zhang , Yang Liu , Jichen Xu , Xingwang Cheng
The deformation behaviors in HfNbZrVTi high-entropy alloy (HEA) under shock loading are investigated. We find that, in addition to dislocation slip, multiple deformation modes are activated, including {112} kink banding, {112}<111> deformation twinning, and body-centered cubic (BCC) to omega phase transition. Atomic-scale characterization of deformation interfaces reveals that pressure dependent kink banding is driven by the movement of a0/2<111>{112} edge dislocation pairs, while the BCC to omega phase transition involves atomic shuffling of 1/12 and 1/12 on adjacent planes. Furthermore, the omega phase distributes at the twin boundary accompanied with the formation of transient omega phase. These findings reflect unique deformation behaviors of HEAs comprising mixed multiple elements in extreme loading conditions.
{"title":"Shock wave-induced multiple deformation modes in a HfNbZrVTi high-entropy alloy","authors":"Jingyao He , Fan Zhang , Zezhou Li , Shipan Yin , Qinghui Tang , Linbing Zhang , Yang Liu , Jichen Xu , Xingwang Cheng","doi":"10.1016/j.scriptamat.2025.117088","DOIUrl":"10.1016/j.scriptamat.2025.117088","url":null,"abstract":"<div><div>The deformation behaviors in HfNbZrVTi high-entropy alloy (HEA) under shock loading are investigated. We find that, in addition to dislocation slip, multiple deformation modes are activated, including {112} kink banding, {112}<111> deformation twinning, and body-centered cubic (BCC) to omega phase transition. Atomic-scale characterization of deformation interfaces reveals that pressure dependent kink banding is driven by the movement of a<sub>0</sub>/2<111>{112} edge dislocation pairs, while the BCC to omega phase transition involves atomic shuffling of 1/12<span><math><mrow><mo>[</mo><mn>11</mn><mover><mn>1</mn><mo>¯</mo></mover><mo>]</mo></mrow></math></span> and 1/12<span><math><mrow><mo>[</mo><mover><mn>1</mn><mo>¯</mo></mover><mover><mn>1</mn><mo>¯</mo></mover><mn>1</mn><mo>]</mo></mrow></math></span> on adjacent <span><math><msub><mrow><mo>(</mo><mn>2</mn><mover><mn>1</mn><mo>¯</mo></mover><mn>1</mn><mo>)</mo></mrow><mtext>BCC</mtext></msub></math></span> planes. Furthermore, the omega phase distributes at the twin boundary accompanied with the formation of transient omega phase. These findings reflect unique deformation behaviors of HEAs comprising mixed multiple elements in extreme loading conditions.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117088"},"PeriodicalIF":5.6,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-08DOI: 10.1016/j.scriptamat.2025.117087
D. Zöllner , P.R. Rios
Mean-field theories of grain growth have been established for more than 70 years. They rely on the concepts of average grain size and self-similar size and edge distributions. In contrast, mesoscopic computer simulations enable the observation of a large number of grains over long annealing time spans. Thus, they allow the detailed surveillance of the behavior of individual grains. Hence, while the average grain size is an important construct for mean-field theories, using computer simulations we show that individual grains with the same number of edges from one polycrystalline structure evolve by distinct paths. As a result, the self-similar grain size and number of edges distributions form in a complex manner.
{"title":"A new perspective on self-similar grain growth","authors":"D. Zöllner , P.R. Rios","doi":"10.1016/j.scriptamat.2025.117087","DOIUrl":"10.1016/j.scriptamat.2025.117087","url":null,"abstract":"<div><div>Mean-field theories of grain growth have been established for more than 70 years. They rely on the concepts of average grain size and self-similar size and edge distributions. In contrast, mesoscopic computer simulations enable the observation of a large number of grains over long annealing time spans. Thus, they allow the detailed surveillance of the behavior of individual grains. Hence, while the average grain size is an important construct for mean-field theories, using computer simulations we show that individual grains with the same number of edges from one polycrystalline structure evolve by distinct paths. As a result, the self-similar grain size and number of edges distributions form in a complex manner.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"273 ","pages":"Article 117087"},"PeriodicalIF":5.6,"publicationDate":"2025-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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