材料科学最新文献

{"title":"Multicrystalline informatics: a methodology to advance materials science by unraveling complex phenomena","authors":"Noritaka Usami, Kentaro Kutsukake, Takuto Kojima, Hiroaki Kudo, Tatsuya Yokoi, Yutaka Ohno","doi":"10.1080/14686996.2024.2396272","DOIUrl":"https://doi.org/10.1080/14686996.2024.2396272","url":null,"abstract":"Multicrystalline materials play a crucial role in our society. However, their microstructure is complicated, and there is no universal approach to achieving high performance. Therefore, a methodology is necessary to answer the fundamental question of how we should design and create microstructures. ‘Multicrystalline informatics’ is an innovative approach that combines experimental, theoretical, computational, and data sciences. This approach helps us understand complex phenomena in multicrystalline materials and improve their performance. The paper covers various original research bases of multicrystalline informatics, such as the three-dimensional visualization of crystal defects in multicrystalline materials, the machine learning model for predicting crystal orientation distribution, network analysis of multicrystalline structures, computational methods using artificial neural network interatomic potentials, and so on. The integration of these research bases proves to be useful in understanding unexplained phenomena in complex multicrystalline materials. The paper also presents examples of efficient optimization of the growth process of high-quality materials with the aid of informatics, as well as prospects for extending the methodology to other materials.","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tracking the evolution of the morphology and stress distribution of SIS thermoplastic elastomers under tension using atomic force microscopy","authors":"Ling Gao, Haonan Liu, Xiaobin Liang, Makiko Ito, Ken Nakajima","doi":"10.1080/14686996.2024.2402685","DOIUrl":"https://doi.org/10.1080/14686996.2024.2402685","url":null,"abstract":"Styrene-based ABA-type triblock copolymers and their blends are widely investigated thermoplastic elastomers (TPEs). The design of tough TPE materials with high strength and resilience requires further clarification of the relationship between microstructure and macroscopic properties of stretched samples. Here, we applied atomic force microscopy (AFM)-based quantitative nanomechanical mapping to study the deformation behavior of poly(styrene-<i>b</i>-isoprene-<i>b</i>-styrene) blends under tension. The results indicated that the glassy polystyrene (PS) domains deformed and inhomogeneous stress distributions developed in the initial stretching stage. At 200% strain, the glassy PS domains started to crack. The change in the peak value in the JKR Young’s modulus diagram during stretching was consistent with the stress – strain curve. Analysis of the particles before and after stretching suggested that the glassy domains separated and reorganized during stretching.","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Robust and orange-yellow-emitting Sr-rich polytypoid α-SiAlON (Sr3Si24Al6N40:Eu2+) phosphor for white LEDs","authors":"Mehdi Estili, Rong-Jun Xie, Kohsei Takahashi, Shiro Funahashi, Tohru S. Suzuki, Naoto Hirosaki","doi":"10.1080/14686996.2024.2396276","DOIUrl":"https://doi.org/10.1080/14686996.2024.2396276","url":null,"abstract":"Nitrides and oxynitrides isostructural to α-Si₃N₄ (<i>M</i>-α-SiAlON, <i>M</i> = Sr, Ca, Li) possess superb thermally stable photoluminescence (PL) properties, making them reliable phosphors for high-power solid-state lighting. However, the synthesis of phase-pure Sr-α-SiAlON still remains a great challenge and has only been reported for Sr below 1.35 at.% as the large size of Sr²⁺ ions tends to destabilize the α-SiAlON structure. Here, we succeeded to synthesize the single-phase powders of a unique ‘Sr-rich’ polytypoid α-SiAlON (Sr₃Si₂₄Al₆N₄₀:Eu²⁺) phosphor with three distinctive Sr/Eu luminescence sites using a solid-state remixing-reannealing process. The Sr content of this polytypoid structure exceeds those of a few previously reported structures by over 200%. The phase purity, composition, structure, and PL properties of this phosphor were investigated. A single phase can be obtained by firing the stoichiometric mixtures of all-nitride precursors at 2050°C under a 0.92 MPa N₂ atmosphere. The Sr₃Si₂₄Al₆N₄₀:Eu²⁺ shows an intense orange-yellow emission, with the emission maximum of 590 nm and internal/external quantum efficiency of 66%/52% under 400 nm excitation. It also has a quite small thermal quenching, maintaining 93% emission intensity at 150°C. In comparison to Ca-α-SiAlON:Eu²⁺, this Sr counterpart shows superior quantum efficiency and thermal stability, enabling it to be an interesting orange-yellow down-conversion luminescent material for white LEDs. The experimental confirmation of the existence of such ‘Sr-rich’ SiAlON systems, in a single-phase powder form, paves the way for the design and synthesis of novel ‘Sr-rich’ SiAlON-based phosphor powders with unparalleled properties.","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comprehensive data network for data-driven study of battery materials","authors":"Yibin Xu, Yen-Ju Wu, Huiping Li, Lei Fang, Shigenobu Hayashi, Ayako Oishi, Natsuko Shimizu, Riccarda Caputo, Pierre Villars","doi":"10.1080/14686996.2024.2403328","DOIUrl":"https://doi.org/10.1080/14686996.2024.2403328","url":null,"abstract":"Data-driven material research for property prediction and material design using machine learning methods requires a large quantity, wide variety, and high-quality materials data. For battery materials, which are commonly polycrystalline, ceramics, and composites, multiscale data on substances, materials, and batteries are required. In this work, we develop a data network composed of three interlinked databases, from which we can obtain comprehensive data on substances such as crystal structures and electronic structures, data on materials such as chemical composition, structure, and properties, and data on batteries such as battery composition, operation conditions, and capacity. The data are extracted from research papers on solid electrolytes and cathode materials, selected by screening more than 330 thousand papers using natural language processing tools. Data extraction and curation are carried out by editors specialized in material science and trained in data standardization.","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":null,"pages":null},"PeriodicalIF":5.5,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142269850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eliminate the contradiction between temperature and toughness by grain-boundary delamination in heterogeneous ultrafine-grained lamellar steels","authors":"Bo Yang, Fuxing Yin, Baoxi Liu, Liying Sun, Tianlong Liu, Hui Yu, Andrey Belyakov, Zhichao Luo","doi":"10.1080/21663831.2024.2399880","DOIUrl":"https://doi.org/10.1080/21663831.2024.2399880","url":null,"abstract":"Heterostructured ferritic steels with bimodal-grained lamellar (BG-L) and ultrafine-grained lamellar (UFG-L) microstructure were prepared through a warm deformation process. The BG-L steel exhibits enhanced mechanical properties compared to conventional quenched and tempered (QT) steel. While the UFG-L steel demonstrates an outstanding combination of strength, ductility, and toughness. Furthermore, the UFG-L steels exhibit no ductile-to-brittle transition (DBT) from room temperature (RT) to liquid nitrogen temperature (LNT) and the Charpy impact energy remains as high as 314 J at LNT. The enhanced toughness at LNT can be attributed to the crack-arrester mechanism caused by grain-boundary delamination.","PeriodicalId":18291,"journal":{"name":"Materials Research Letters","volume":null,"pages":null},"PeriodicalIF":8.3,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142269899","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}

{"title":"The activation of multiple slip systems in polycrystalline zirconium by using automated lattice rotation framework","authors":"Huigang Shi, Jianye Chen, Junqiang Lu, Libing Zhu, Lefu Zhang, Jiuxiao Li, Weijie Lu, Xianglong Guo","doi":"10.1080/21663831.2024.2402370","DOIUrl":"https://doi.org/10.1080/21663831.2024.2402370","url":null,"abstract":"Understanding the deformation mechanism in polycrystalline metals is critical to use them in high-value high-risk applications. Here, we report an automated framework based on lattice rotation analysis for accurately identifying slip system and assessing the multiple slip activities in large data set of polycrystalline Zr, aims to statistically provide deep insight on deformation mechanism of Zr. Results show that multiple slip is the dominant slip system rather than single slip system. This method can be applied as a complementary method to the intragranular misorientation axis (IGMA) method and can act as bridges between macro-mechanical response and microstructural deformation mechanisms.","PeriodicalId":18291,"journal":{"name":"Materials Research Letters","volume":null,"pages":null},"PeriodicalIF":8.3,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142269901","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}

{"title":"Microstructural evolution and toughening mechanism of WC-Co composite prepared by amorphous-crystallization method","authors":"Maobao Xu, Haibin Wang, Xuemei Liu, Hao Lu, Xiaoyan Song","doi":"10.1080/21663831.2024.2405085","DOIUrl":"https://doi.org/10.1080/21663831.2024.2405085","url":null,"abstract":"In this study, toughening of WC-Co composite prepared by amorphous-crystallization method was investigated. Co-rich nanoparticles, a Co(W,C) solid solution, were incorporated into the WC matrix through the process integrating crystallization of amorphous Co₂W₄C powder and its in-situ reaction with carbon. The microstructural evolution of the ceramic-metal composite during fabrication was studied in detail. Owing to the interactions between Co-rich nanoparticles coherent with the WC matrix and the dislocations and stacking faults inside WC grains, the composite exhibited high hardness and strength combined with exceptional fracture toughness. The mechanisms for the synergistic improvement of mechanical properties of the composite were disclosed.","PeriodicalId":18291,"journal":{"name":"Materials Research Letters","volume":null,"pages":null},"PeriodicalIF":8.3,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263160","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}

{"title":"Microstructure, hardness and wear resistance of plasma-sprayed and electron beam remelted Ni-Cr-Re coatings on Inconel 625","authors":"I. KALEMBA-REC, M. KOPYŚCIAŃSKI, P. ŚLIWIŃSKI, S. DYMEK, M.S. WĘGLOWSKI, A. WRONA","doi":"10.1016/j.jallcom.2024.177193","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.177193","url":null,"abstract":"This paper presents research on the microstructure as well as mechanical properties of electron remelting of air plasma spraying (ASP) layers made of Ni-Cr-Re alloy with varying amounts of rhenium on Inconel 625. Initially, Ni-20%Cr powder alloys with 10, 20 and 30% (by weight) rhenium content were prepared and applied to the Inconel by ASP. Then, the air plasma sprayed coatings were remelted by electron beam under different parameters. The remelting by electron beam improved the density and smoothness of the ASP coatings. The remelted coatings were characterized by a dendritic microstructure. Wear tests revealed that the sprayed and electron-remelted coatings had a lower weight loss for higher Re content and that the hardness the remelted coating increased with increasing Re content.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":null,"pages":null},"PeriodicalIF":6.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452539","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}

{"title":"Surface plasmon-mediated photoluminescence boost in graphene-covered CsPbBr3 quantum dots","authors":"Youngsin Park, Elham Oleiki, Guanhua Ying, Atanu Jana, Mutibah Alanazi, Vitaly Osokin, Sangeun Cho, Robert A. Taylor, Geunsik Lee","doi":"10.1016/j.apsusc.2024.161601","DOIUrl":"https://doi.org/10.1016/j.apsusc.2024.161601","url":null,"abstract":"The optical properties of graphene (Gr)-covered CsPbBr₃ quantum dots (QDs) were investigated using micro-photoluminescence spectroscopy, revealing a remarkable three orders of magnitude enhancement in photoluminescence (PL) intensity compared to bare CsPbBr₃ QDs. To elucidate the underlying mechanisms, we combined experimental techniques with density functional theory (DFT) calculations. DFT simulations showed that the graphene layer generates interfacial electrostatic potential barriers when in contact with the CsPbBr₃ surface, impeding carrier leakage from perovskite to graphene and enhancing radiative recombination. Additionally, graphene passivates CsPbBr₃ surface defect states, suppressing nonradiative recombination of photo-generated carriers. Our study also revealed that graphene becomes n-doped upon contact with CsPbBr₃ QDs, activating its plasmon mode. This mode resonantly couples with photo-generated excitons in the perovskite. The momentum mismatch between graphene plasmons and free-space photons is resolved through plasmon scattering at Gr/CsPbBr₃ interface corrugations, facilitating the observed super-bright emission. These findings highlight the critical role of graphene as a top contact in dramatically enhancing CsPbBr₃ QDs’ PL. Our work advances the understanding of graphene-perovskite interfaces and opens new avenues for designing high-efficiency optoelectronic devices. The multifaceted enhancement mechanisms uncovered provide valuable insights for future research in nanophotonics and materials science, potentially leading to breakthroughs in light-emitting technologies.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":null,"pages":null},"PeriodicalIF":6.7,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452596","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}

{"title":"Defect engineering of charge transport and photovoltaic effect in BiFeO3 films","authors":"Alfredo Blázquez Martínez, Barnik Mandal, Sebastjan Glinsek, Torsten Granzow","doi":"10.1016/j.actamat.2024.120481","DOIUrl":"https://doi.org/10.1016/j.actamat.2024.120481","url":null,"abstract":"Bismuth ferrite (BiFeO&lt;sub&gt;3&lt;/sub&gt;) is an attractive multiferroic material, extensively explored in photoferroelectric investigations. However, its applications are hindered by the high leakage current, requiring precise control of charge transport properties. Defect engineering has emerged as a promising strategy to address this issue: controlling the defect chemistry, particularly oxygen vacancies, is key to tuning the electrical properties. This study investigates the influence of 5% &lt;figure&gt;&lt;img alt=\"\" height=\"11\" src=\"https://ars.els-cdn.com/content/image/1-s2.0-S1359645424008309-fx1001.jpg\"/&gt;&lt;/figure&gt; - and 2% &lt;figure&gt;&lt;img alt=\"\" height=\"11\" src=\"https://ars.els-cdn.com/content/image/1-s2.0-S1359645424008309-fx1002.jpg\"/&gt;&lt;/figure&gt; -doping on the dark and light-induced charge transport properties of polycrystalline BiFeO&lt;sub&gt;3&lt;/sub&gt; films. Our results demonstrate that &lt;figure&gt;&lt;img alt=\"\" height=\"11\" src=\"https://ars.els-cdn.com/content/image/1-s2.0-S1359645424008309-fx1003.jpg\"/&gt;&lt;/figure&gt; reduces dark conductivity by decreasing oxygen vacancy concentration with no change in the physical nature of the charge transport mechanism. In contrast, &lt;figure&gt;&lt;img alt=\"\" height=\"11\" src=\"https://ars.els-cdn.com/content/image/1-s2.0-S1359645424008309-fx1004.jpg\"/&gt;&lt;/figure&gt; modifies the charge transport mechanism, increasing low-field (E &lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span data-mathml='&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;mo is=\"true\"&gt;&amp;lt;&lt;/mo&gt;&lt;/math&gt;' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"&gt;&lt;svg aria-hidden=\"true\" focusable=\"false\" height=\"1.625ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -598.2 778.5 699.5\" width=\"1.808ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"&gt;&lt;g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMAIN-3C\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;span role=\"presentation\"&gt;&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;mo is=\"true\"&gt;&lt;&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;mo is=\"true\"&gt;&lt;&lt;/mo&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt; 100 kVcm&lt;sup&gt;-1&lt;/sup&gt;) dark conductivity while drastically reducing high-field (E &lt;span&gt;&lt;span style=\"\"&gt;&lt;/span&gt;&lt;span data-mathml='&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;mo is=\"true\"&gt;&amp;gt;&lt;/mo&gt;&lt;/math&gt;' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"&gt;&lt;svg aria-hidden=\"true\" focusable=\"false\" height=\"1.625ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -598.2 778.5 699.5\" width=\"1.808ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"&gt;&lt;g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMAIN-3E\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;span role=\"presentation\"&gt;&lt;math xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;mo is=\"true\"&gt;&gt;&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;mo is=","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452658","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}