{"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":"41 1","pages":""},"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}
Ling Gao, Haonan Liu, Xiaobin Liang, Makiko Ito, Ken Nakajima
{"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":"17 1","pages":""},"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}
Mehdi Estili, Rong-Jun Xie, Kohsei Takahashi, Shiro Funahashi, Tohru S. Suzuki, Naoto Hirosaki
{"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-Si<sub>3</sub>N<sub>4</sub> (<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 Sr<sup>2+</sup> 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 (Sr<sub>3</sub>Si<sub>24</sub>Al<sub>6</sub>N<sub>40</sub>:Eu<sup>2+</sup>) 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 N<sub>2</sub> atmosphere. The Sr<sub>3</sub>Si<sub>24</sub>Al<sub>6</sub>N<sub>40</sub>:Eu<sup>2+</sup> 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:Eu<sup>2+</sup>, 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":"17 1","pages":""},"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}
Yibin Xu, Yen-Ju Wu, Huiping Li, Lei Fang, Shigenobu Hayashi, Ayako Oishi, Natsuko Shimizu, Riccarda Caputo, Pierre Villars
{"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":"2 1","pages":""},"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":"Recent progress on polymeric probes for formaldehyde sensing: a comprehensive review.","authors":"Subhadip Roy, Swagata Pan, Priyadarsi De","doi":"10.1080/14686996.2024.2423597","DOIUrl":"10.1080/14686996.2024.2423597","url":null,"abstract":"<p><p>Formaldehyde (FA) is a reactive toxic volatile organic compound (VOC), produced both exogenously from the environment and endogenously within most organisms, and poses significant health risks to humans at elevated concentrations. Consequently, the development of reliable and sensitive FA sensing technologies is crucial for environmental monitoring, industrial safety, and public health protection. This review will provide a concise overview of FA sensing methodologies, highlighting key principles, sensing mechanisms, and recent advancements. The main aim of this review article is to comprehensively discuss recent advancements in FA sensors utilizing small molecules, nanoparticles, organic materials, and polymers, along with their successful applications across various fields, with particular emphasis on <i>in situ</i> FA sensing using polymeric probes due to their advantages over small molecular probes. Additionally, it will discuss prospects for future design and research in this area. We anticipate that this article will aid in the development of next-generation polymeric FA sensing probed with improved physicochemical properties.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"25 1","pages":"2423597"},"PeriodicalIF":7.4,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11559022/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142627198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Exploring new useful phosphors by combining experiments with machine learning.","authors":"Takashi Takeda, Yukinori Koyama, Hidekazu Ikeno, Satoru Matsuishi, Naoto Hirosaki","doi":"10.1080/14686996.2024.2421761","DOIUrl":"https://doi.org/10.1080/14686996.2024.2421761","url":null,"abstract":"<p><p>New phosphors are consistently in demand for advances in solid-state lighting and displays. Conventional trial-and-error exploration experiments for new phosphors require considerable time. If a phosphor host suitable for the target luminescent property can be proposed using computational science, the speed of development of new phosphors will significantly increase, and unexpected/overlooked compositions could be proposed as candidates. As a more practical approach for developing new phosphors with target luminescent properties, we looked at combining experiments with machine learning on the topics of emission wavelength, full width at half maximum (FWHM) of the emission peak, temperature dependence of the emission spectrum (thermal quenching), new phosphors with new chemical composition or crystal structure, and high-throughput experiments.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"25 1","pages":"2421761"},"PeriodicalIF":7.4,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11544735/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Deguang Qin, Wenyong Huang, Dengke Shen, Longyi Chong, Zeyu Yang, Boyang Wei, Xifeng Li, Ran Li, Wenchao Liu
{"title":"GelMA microneedle-loaded bio-derived nanovaccine shows therapeutic potential for gliomas.","authors":"Deguang Qin, Wenyong Huang, Dengke Shen, Longyi Chong, Zeyu Yang, Boyang Wei, Xifeng Li, Ran Li, Wenchao Liu","doi":"10.1080/14686996.2024.2426444","DOIUrl":"10.1080/14686996.2024.2426444","url":null,"abstract":"<p><p>Glioma is the most common primary malignant tumor of the central nervous system in adults. Although immunotherapy, especially tumor vaccines, has made some progress in the treatment of gliomas compared with surgery and radiotherapy. However, the lack of specific or relevant tumor antigens severely limits the further development of tumor vaccines. Here, we report a bio-derived vaccine (TMV@CpG) derived from glioma cell membrane vesicles and carrying TLR9 agonist CpG as adjuvant, which was loaded onto the GelMA microneedle to obtain the microneedle vaccine (MN-TMV@CpG). Microneedle vaccine fully utilize the innate immune cells rich in the skin, inducing stronger cellular immune responses. In subcutaneous tumor models, MN-TMV@CpG reversed the immune-suppressing microenvironment of tumor, and effectively inhibited tumor progression. In an intracranial tumor model, MN-TMV@CpG significantly prolonged the survival duration and induced stronger immune memory responses in tumor bearing mice when combined with anti-PD1 mAb. These results suggest that bio-derived nanovaccines can be used as a potential antitumor immunotherapy strategy.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"25 1","pages":"2426444"},"PeriodicalIF":7.4,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11565659/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142648630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Nanoarchitectonics for structural tailoring of yolk-shell architectures for electrochemical applications.","authors":"Huan Wu, Jiahao Li, Qingmin Ji, Katsuhiko Ariga","doi":"10.1080/14686996.2024.2420664","DOIUrl":"10.1080/14686996.2024.2420664","url":null,"abstract":"<p><p>Developing electrochemical energy storage and conversion systems, such as capacitors, batteries, and fuel cells is crucial to address rapidly growing global energy demands and environmental concerns for a sustainable society. Significant efforts have been devoted to the structural design and engineering of various electrode materials to improve economic applicability and electrochemical performance. The yolk-shell structures represent a special kind of core-shell morphologies, which show great application potential in energy storage, controlled delivery, adsorption, nanoreactors, sensing, and catalysis. Their controllable void spaces may facilitate the exposure of more active sites for redox reactions and enhance selective adsorption. Based on different nanoarchitectonic designs and fabrication techniques, the yolk-shell structures with controllable structural nanofeatures and the homo- or hetero-compositions provide multiple synergistic effects to promote reactions on the electrode/electrolyte interfaces. This review is focused on the key structural features of yolk-shell architectures, highlighting the recent advancements in their fabrication with adjustable space and mono- or multi-metallic composites. The effects of tailorable structure and functionality of yolk-shell nanostructures on various electrochemical processes are also summarized.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"25 1","pages":"2420664"},"PeriodicalIF":7.4,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11559037/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142627191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Atomic force microscopy for characterization of decellularized extracellular matrix (dECM) based materials.","authors":"Svetlana Batasheva, Svetlana Kotova, Anastasia Frolova, Rawil Fakhrullin","doi":"10.1080/14686996.2024.2421739","DOIUrl":"10.1080/14686996.2024.2421739","url":null,"abstract":"<p><p>In live organisms, cells are embedded in tissue-specific extracellular matrix (ECM), which provides chemical and mechanical signals important for cell differentiation, migration, and overall functionality. Careful reproduction of ECM properties in artificial cell scaffolds is necessary to get physiologically relevant results of in vitro studies and produce robust materials for cell and tissue engineering. Nanoarchitectonics is a contemporary way to building complex materials from nano-scale objects of artificial and biological origin. Decellularized ECM (dECM), remaining after cell elimination from organs, tissues and cell cultures is arguably the closest equivalent of native ECM achievable today. dECM-based materials can be used as templates or components for producing cell scaffolds using nanoarchitectonic approach. Irrespective of the form, in which dECM is used (whole acellular organ/tissue, bioink or hydrogel), the local stiffness of the dECM scaffold must be evaluated, since the fate of seeded cells depends on the mechanical properties of their environment. Careful dECM characterization is also necessary to reproduce essential ECM traits in artificial cell scaffolds by nanoparticle assembly. Atomic force microscopy (AFM) is a valuable characterization tool, as it allows simultaneous assessment of mechanical and topographic features of the scaffold, and additionally evaluate the efficiency of decellularization process and preservation of the extracellular matrix. This review depicts the current application of AFM in the field of dECM-based materials, including the basics of AFM technique and the use of flicker-noise spectroscopy (FNS) method for the quantification of the dECM micro- and nanostructure.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"25 1","pages":"2421739"},"PeriodicalIF":7.4,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11573343/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142668985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Bi-metallic electrochemical deposition on 3D pyrolytic carbon architectures for potential application in hydrogen evolution reaction.","authors":"Prince Kumar Rai, Amritanshu Singh, Shashwat Bishwanathan, Prashant Kumar Gupta, De-Yi Wang, Monsur Islam, Ankur Gupta","doi":"10.1080/14686996.2024.2421740","DOIUrl":"https://doi.org/10.1080/14686996.2024.2421740","url":null,"abstract":"<p><p>3D printing has emerged as a highly efficient process for fabricating electrodes in hydrogen evolution through water splitting, whereas metals are the most popular choice of materials in hydrogen evolution reactions (HER) due to their catalytic activity. However, current 3D printing solutions face challenges, including high cost, low surface area, and sub-optimal performance. In this work, we introduce metal-deposited 3D printed pyrolytic carbon (PyC) as a facile and cost-effective HER electrode. We adopt an integrated approach of resin 3D printing, pyrolysis, and electrochemical metal deposition. 3D printing of a resin and its subsequent pyrolysis led to 3D complex architectures of the conductive substrate, facilitating the electrochemical metal deposition and leading to layered 3D metal architecture. Both monolayers of metals (such as copper and nickel) and bi-metallic 3D PyC structures are demonstrated. Each metal layer thickness ranges from 6 to10 µm. The metal coatings, particularly the bi-metallic configurations, result in achieving significantly higher mechanical properties under compressive loading and improved electrical properties due to the synergistic contributions from each metal counterpart. The metalized PyC structures are further demonstrated for HER catalysts, contributing to the development of highly efficient and durable catalyst systems for hydrogen production. Among the materials studied here, Ni@Cu bimetallic 3D PyC electrodes are particularly well-suited, demonstrating a low HER overpotential value of 264 mV (100 mA/cm<sup>2</sup>, KOH (1 M)) with corresponding Tafel slopes of 107 mV/dec, with exceptional stability during a 10 h operation at a high applied current of -50 mA/cm<sup>2</sup>.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"25 1","pages":"2421740"},"PeriodicalIF":7.4,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11544737/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}