{"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":7,"journal":{"name":"ACS Applied Polymer 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":2,"RegionCategory":"化学","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":7,"journal":{"name":"ACS Applied Polymer 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":2,"RegionCategory":"化学","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":7,"journal":{"name":"ACS Applied Polymer 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":2,"RegionCategory":"化学","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":7,"journal":{"name":"ACS Applied Polymer 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":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Olumide Emmanuel Adegunna, Anuj Rastogi, Nathan Chan Smyth, Daniel M Mandell, Alfonso Fasano
{"title":"Clinical and Radiographic Improvement Following Steroid Therapy in Subacute Post-Traumatic Ascending Myelopathy.","authors":"Olumide Emmanuel Adegunna, Anuj Rastogi, Nathan Chan Smyth, Daniel M Mandell, Alfonso Fasano","doi":"10.1212/WNL.0000000000210050","DOIUrl":"https://doi.org/10.1212/WNL.0000000000210050","url":null,"abstract":"","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"103 11","pages":"e210050"},"PeriodicalIF":7.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142576701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rachel Gottlieb-Smith, Danny Rogers, Donald L Gilbert
{"title":"Modified Delphi Study to Establish Consensus About Child Neurology Residency Education: Next-Gen Training.","authors":"Rachel Gottlieb-Smith, Danny Rogers, Donald L Gilbert","doi":"10.1212/WNL.0000000000210002","DOIUrl":"https://doi.org/10.1212/WNL.0000000000210002","url":null,"abstract":"<p><strong>Background and objectives: </strong>Rapid advances in diagnostics and treatments are shifting child neurology practice, but child neurology training requirements have been much slower to change. Previous literature confirms strong support for modernization, but no formal consensus exists regarding maintaining or changing training. We aimed to develop a holistic consensus regarding the optimal training pathway and requirements using a modified Delphi process.</p><p><strong>Methods: </strong>The authors invited 48 child neurologists as panelists, intentionally selecting to represent the diverse geography, practice type, subspecialties, and other demographics of child neurologists practicing in the United States. Panelists participated in an anonymized modified Delphi study with 4 rounds evaluating statements regarding current training requirements, core rotation durations, and mandatory subspecialty rotations with the option to agree or disagree. Statements were derived from current Accreditation Council of Graduate Medical Education, American Board of Psychiatry and Neurology, and American Board of Pediatrics requirements for child neurology training and recent literature. Statements that did not reach a predefined level of consensus (≥75% agreement or disagreement on a 7-point Likert scale) were re-queried or modified for subsequent rounds. Panelists had access to all previous anonymized results and comments. The final modifications were presented in round 4 as a comprehensive training proposal.</p><p><strong>Results: </strong>Twenty-seven panelists agreed to participate, with most completing all 4 rounds. In round 1, consensus was reached on 45 of 118 (38%) items; round 2, 28 of 87 (32%); round 3, 16 of 25 (64%); and round 4, 1 of 1 (100%). There was consensus regarding the age scope of practice and certain subspecialties that should be required, but no initial consensus regarding time-based requirements. By round 4, consensus emerged for the following rotations-months: neonatal and pediatric intensive care-4, adolescent medicine-0.5, emergency medicine-1.5, inpatient pediatrics-3, outpatient pediatrics-3.5, inpatient child neurology-9.5, outpatient child neurology-6, inpatient adult neurology-3, outpatient adult neurology-2, genetics-2, EEG/neurophysiology-2, neuroimaging-1, child psychiatry-1, and electives-7.5. The consensus schedule consists of 46.5 total months of requirements.</p><p><strong>Discussion: </strong>This study suggests that, despite diverging views prevalent among child neurologists, a diverse panel can, through a multiround Delphi process, arrive at consensus regarding many core features of the child neurology training structure and certification requirements.</p>","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"103 11","pages":"e210002"},"PeriodicalIF":7.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142605825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Victoire Leroy, Emmeline Ayers, Dristi Adhikari, Joe Verghese
{"title":"Association of Sleep Disturbances With Prevalent and Incident Motoric Cognitive Risk Syndrome in Community-Residing Older Adults.","authors":"Victoire Leroy, Emmeline Ayers, Dristi Adhikari, Joe Verghese","doi":"10.1212/WNL.0000000000210054","DOIUrl":"10.1212/WNL.0000000000210054","url":null,"abstract":"<p><strong>Background and objectives: </strong>There is growing evidence that sleep disturbances are associated with cognitive impairment risk, but their association with the incidence of motoric cognitive risk syndrome (MCR)-a predementia syndrome characterized by slow gait speed and cognitive complaints-is unknown. We aimed to examine the association of sleep disturbances, overall and specific subtypes, with (1) incident and (2) prevalent MCR in older adults.</p><p><strong>Methods: </strong>Community-residing adults aged 65 years and older without dementia were recruited from population lists and included in Central Control of Mobility and Aging, a prospective cohort study, in Albert Einstein College of Medicine, Bronx, NY. We included participants with available data for MCR and Pittsburgh Sleep Quality Index (PSQI). MCR was defined as cognitive complaints reported on standardized questionnaires and slow gait speed as recorded on an electronic treadmill and was adjudicated at baseline and annual follow-up visits. Participants were divided into \"good\" sleepers (≤5) and \"poor\" sleepers (>5) based on an established PSQI cut score. Among participants without MCR at baseline, Cox proportional hazard models adjusted for (1) age, sex, and education and (2) further for comorbidity index, Geriatric Depression Scale score, and global cognitive score were used to examine the association of baseline sleep disturbances with MCR incidence. Association between poor sleep quality and prevalent MCR at baseline in the overall population was explored using multivariate logistic regression analysis.</p><p><strong>Results: </strong>445 participants were included (56.9% women, mean age: 75.9 years [75.3; 76.5]). In MCR-free participants at baseline (n = 403), 36 developed incident MCR over a mean follow-up of 2.9 years. Poor sleepers had a higher risk of incident MCR (HR = 2.7 [1.2; 5.2]) compared with good sleepers, but this association was not significant after adjustment for depressive symptoms (adjusted hazard ratio [aHR] = 1.6 [0.7-3.4]). Among the 7 PSQI components, only sleep-related daytime dysfunction (excessive sleepiness and lower enthusiasm) showed a significant risk of MCR in fully adjusted models (aHR = 3.3 [1.5-7.4]). Prevalent MCR was not associated with poor sleep quality (OR [95% CI] = 1.1 [0.5-2.3]).</p><p><strong>Discussion: </strong>Overall poor sleep quality was associated with incident MCR, but not with prevalent MCR. Specifically, older adults with sleep-related daytime dysfunction are at increased risk of developing MCR. Further studies are needed to validate mechanisms of this relationship.</p>","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"103 11","pages":"e210054"},"PeriodicalIF":7.7,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11540459/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142591272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}