IF 5.5 3区材料科学

Science and Technology of Advanced Materials Pub Date : 2024-12-31 DOI: 10.1080/14686996.2024.2396272

Noritaka Usami, Kentaro Kutsukake, Takuto Kojima, Hiroaki Kudo, Tatsuya Yokoi, Yutaka Ohno

{"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}

引用次数: 0

Tracking the evolution of the morphology and stress distribution of SIS thermoplastic elastomers under tension using atomic force microscopy 利用原子力显微镜跟踪 SIS 热塑性弹性体在拉力作用下的形态和应力分布演变情况

IF 5.5 3区材料科学

Science and Technology of Advanced Materials Pub Date : 2024-12-31 DOI: 10.1080/14686996.2024.2402685

Ling Gao, Haonan Liu, Xiaobin Liang, Makiko Ito, Ken Nakajima

引用次数: 0

Robust and orange-yellow-emitting Sr-rich polytypoid α-SiAlON (Sr3Si24Al6N40:Eu2+) phosphor for white LEDs 用于白光 LED 的稳定且可发出橙黄色光的富硒多晶体 α-SiAlON (Sr3Si24Al6N40:Eu2+) 荧光粉

IF 5.5 3区材料科学

Science and Technology of Advanced Materials Pub Date : 2024-12-31 DOI: 10.1080/14686996.2024.2396276

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-Si3N4 (M-α-SiAlON, M = 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}

引用次数: 0

A comprehensive data network for data-driven study of battery materials 用于电池材料数据驱动研究的综合数据网络

IF 5.5 3区材料科学

Science and Technology of Advanced Materials Pub Date : 2024-12-31 DOI: 10.1080/14686996.2024.2403328

Yibin Xu, Yen-Ju Wu, Huiping Li, Lei Fang, Shigenobu Hayashi, Ayako Oishi, Natsuko Shimizu, Riccarda Caputo, Pierre Villars

引用次数: 0

Eliminate the contradiction between temperature and toughness by grain-boundary delamination in heterogeneous ultrafine-grained lamellar steels 在异质超细晶粒层状钢中通过晶界分层消除温度与韧性之间的矛盾

IF 8.3 1区材料科学

Materials Research Letters Pub Date : 2024-12-01 DOI: 10.1080/21663831.2024.2399880

Bo Yang, Fuxing Yin, Baoxi Liu, Liying Sun, Tianlong Liu, Hui Yu, Andrey Belyakov, Zhichao Luo

引用次数: 0

The activation of multiple slip systems in polycrystalline zirconium by using automated lattice rotation framework 利用自动晶格旋转框架激活多晶锆中的多重滑移系统

IF 8.3 1区材料科学

Materials Research Letters Pub Date : 2024-12-01 DOI: 10.1080/21663831.2024.2402370

Huigang Shi, Jianye Chen, Junqiang Lu, Libing Zhu, Lefu Zhang, Jiuxiao Li, Weijie Lu, Xianglong Guo

引用次数: 0

Microstructural evolution and toughening mechanism of WC-Co composite prepared by amorphous-crystallization method 非晶-结晶法制备的 WC-Co 复合材料的微结构演化和增韧机理

IF 8.3 1区材料科学

Materials Research Letters Pub Date : 2024-12-01 DOI: 10.1080/21663831.2024.2405085

Maobao Xu, Haibin Wang, Xuemei Liu, Hao Lu, Xiaoyan Song

引用次数: 0

The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation 壳聚糖和壳聚糖-D301对钨和钼的吸附与分离：实验和 DFT 理论计算

IF 6.7 2区材料科学

Applied Surface Science Pub Date : 2024-10-13 DOI: 10.1016/j.apsusc.2024.161511

Na Chen, Liwen Ma, Xiaoli Xi, Zuoren Nie

引用次数: 0

Achieving vertical orientation films with superior environmental stability in quasi-2D lead iodide perovskites 在准二维碘化铅包晶石中实现具有卓越环境稳定性的垂直取向薄膜

IF 6.2 2区材料科学

Journal of Alloys and Compounds Pub Date : 2024-10-13 DOI: 10.1016/j.jallcom.2024.176919

Seema Wafee, Ching-Chich Leu, Kai-Chiang Chang, Bernard Haochih Liu

{"title":"Achieving vertical orientation films with superior environmental stability in quasi-2D lead iodide perovskites","authors":"Seema Wafee, Ching-Chich Leu, Kai-Chiang Chang, Bernard Haochih Liu","doi":"10.1016/j.jallcom.2024.176919","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.176919","url":null,"abstract":"The incorporation of a spacer cation to improve the stability of lead halide perovskites entails a trade-off, notably compromising film quality and device performance, particularly in quais-2D variants employing a higher proportion of hydrophobic, larger spacer cations. Addressing this challenge in quasi-2D perovskite-based devices requires enhancement in film morphology, crystallinity, and vertical orientation to optimize charge transport. Herein, we present a simple one step spin coating synthesis approach for producing PEA2MAn-1PbnI3n+1 (n = 5–2) thin films from a single precursor solution. Notably, our method operates at room temperature without the need of usually toxic anti-solvent or specialized additives, resulting in high quality crystalline films that are vertically oriented and smooth. We systematically investigate the impact of annealing processes on crystal structure, including gradient annealing (GA) as well as thermal annealing at 100℃ for durations of 10 and 15 minutes. Our findings indicate that the films with n = 4 exhibits superior crystallinity and vertical crystallographic orientation, alongside reduced roughness, and minimal contamination of the lower n mixtures. Gradient annealing notably enhances the crystallinity of n = 3 films. While the surface of all the films appears smooth with flake-like structure, the n = 2 sample notably exhibits pitting.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":null,"pages":null},"PeriodicalIF":6.2,"publicationDate":"2024-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142430456","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}

引用次数: 0

Advancing piezoelectricity and excellent thermal stability: <001>-textured 0.75BF–0.25BT lead-free ceramics for high temperature applications 先进的压电性和出色的热稳定性：用于高温应用的纹理 0.75BF-0.25BT 无铅陶瓷

IF 9.4 1区材料科学

Journal of Materiomics Pub Date : 2024-10-13 DOI: 10.1016/j.jmat.2024.100946

Zhangpan Shen, Jian Guo, Xiaoyi Gao, Weidong Xuan, Jiye Zhang, Dawei Wang, Jinrong Cheng, Shujun Zhang, Jianguo Chen

{"title":"Advancing piezoelectricity and excellent thermal stability: <001>-textured 0.75BF–0.25BT lead-free ceramics for high temperature applications","authors":"Zhangpan Shen, Jian Guo, Xiaoyi Gao, Weidong Xuan, Jiye Zhang, Dawei Wang, Jinrong Cheng, Shujun Zhang, Jianguo Chen","doi":"10.1016/j.jmat.2024.100946","DOIUrl":"https://doi.org/10.1016/j.jmat.2024.100946","url":null,"abstract":"There is an urgent need for piezoelectric materials possessing both high piezoelectric properties and good thermal stability to facilitate the advancement of high temperature piezoelectric devices. However, conventional strategy for enhancing piezoelectricity via chemical modifications often comes at the cost of thermal stability due to a drop in Curie temperatures. In this study, we achieved remarkable results in <001>-oriented 0.75BiFeO3–0.25BaTiO3 (0.75BF–0.25BT) lead-free textured ceramics. These textured ceramics exhibit a high Curie temperatures Tc of 552 °C, large piezoelectric coefficients d33 of 265 pC/N, and exceptional piezoelectric thermal stability, with minimal variation of 8% across temperature from 25 °C to 300 °C. Compared to randomly oriented ceramics, the piezoelectric coefficient is about 2.5 times higher, marking it as one of the highest reported value for ceramics with Tc near 550 °C. The enhanced piezoelectric properties can be ascribed to improvements in both intrinsic lattice distortions and extrinsic non-180o domain motions, while the excellent piezoelectric thermal stability is attributed to the stable domain texture. These superior properties of the studied textured 0.75BF–0.25BT ceramics position them as competitive lead-free candidates for high-temperature piezoelectric applications.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142430442","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

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