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arXiv 2025年

作者： Whitman, Sheila E. Latypov, Marat I. Graduate Interdisciplinary Program in Applied Mathematics University of Arizona TucsonAZ85721 United States Department of Materials Science and Engineering University of Arizona TucsonAZ85721 United States

Machine learning of microstructure–property relationships from data is an emerging approach in computational materials science. Most existing machine learning efforts focus on the development of task-specific models for each microstructure–property relationship. We propose utilizing pre-trained foundational vision transformers for the extraction of task-agnostic microstructure features and subsequent light-weight machine learning of a microstructure-dependent property. We demonstrate our approach with pre-trained state-of-the-art vision transformers (CLIP, DINOV2, SAM) in two case studies on machine-learning: (i) elastic modulus of two-phase microstructures based on simulations data;and (ii) Vicker’s hardness of Ni-base and Co-base superalloys based on experimental data published in literature. Our results show the potential of foundational vision transformers for robust microstructure representation and efficient machine learning of microstructure–property relationships without the need for expensive task-specific training or fine-tuning of bespoke deep learning models. © 2025, CC BY.

关键词： Elastic moduli

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Assessment of Simple Adhesive Substrates for Quantifying Microplastics

SSRN

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SSRN 2022年

作者： Rieland, Julie M. Hu, Zeyuan Deese, Julian S. Love, Brian J. The University of Michigan United States Department of Materials Science and Engineering Department of Biomedical Engineering Macromolecular Science and Engineering Graduate Program

Microplastics are a growing environmental concern, with a large body of evidence documenting substantial distribution of plastic material in virtually all environmental compartments. Countermeasures that help to bind, aggregate, or coalesce these distributed particles might result in lower human and animal exposures. Pressure sensitive adhesives (PSAs) have been identified as a viable microplastic (MP) capture mechanism with a range of potential use conditions. As with any countermeasure, there is a need to evaluate potential solutions in terms of collection efficiency, cost, ease of installation, etc. Expanding on our previous work, spray-coated PSAs were investigated as submerged surfaces as tools to assess MP binding in aqueous dispersions. Resins containing two differing molecular weights of poly(2-ethylhexyl acrylate) PSA (92k and 950k), and a 50:50 by weight mixture of the two resins were applied as spray-coated substrates to compare the effect of resin composition on MP-adhesive binding. Thin films of PSA (92k 6 ± 1 μm, 950k 4 ± 2 μm, 50:50 BD 6.5 ± 1 μm) were sprayed on borosilicate glass slides using a commercial air brush. Polydisperse nylon-12 particles varying in size from 15-30 µm in diameter were dispersed in deionized water at concentrations between 0.01 and 5 mg mL -1 and agitated under ambient conditions to assess adhesive binding as quantitative comparisons of microparticle capture. Mixed assays were also performed comparing binding of common MP species including polyethylene (50, 200 µm), polystyrene (10 µm), and polyester fibers (1000 µm) to understand how varying composition, size, and form factor affect adsorption. The glass slide method showed increasing linear trends of particle binding with increased adhesive exposure time and MP concentration. The lower molecular weight 92K adhesive had lower viscosity, higher wettability for microplastics but also led to a less stable adhesive film complicating analysis. As a field-deployable scheme for mi

关键词： Aggregates

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Spin-orbit-locked hyperbolic polariton vortices carrying reconfigurable topological charges

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eLight 2022年第1期2卷 143-153页

作者： Mingsong Wang Guangwei Hu Saroj Chand Michele Cotrufo Yohannes Abate Kenji Watanabe Takashi Taniguchi Gabriele Grosso Cheng‑Wei Qiu Andrea Alù Photonics Initiative Advanced Science Research CenterCity University of New YorkNew York CityNY 10031USA Department of Electrical and Computer Engineering National University of SingaporeSingapore 116083Singapore Department of Physics and Astronomy The University of GeorgiaAthensGA 30602USA Research Center for Functional Materials National Institute for Materials ScienceTsukubaIbaraki 305‑0044Japan International Center for Materials Nanoarchitectonics National Institute for Materials ScienceTsukubaIbaraki 305‑0044Japan Physics Program Graduate CenterCity University of New YorkNew YorkNY 10016USA

The topological features of optical vortices have been opening opportunities for free-space and on-chip photonic technologies,e.g.,for multiplexed optical communications and robust information *** a parallel but disjoint effort,polar anisotropic van der Waals nanomaterials supporting hyperbolic phonon polaritons(HP2s)have been leveraged to drastically boost light-matter *** far HP2 studies have been mainly focusing on the control of their amplitude and scale *** we report the generation and observation of mid-infrared hyperbolic polariton vortices(HP2Vs)associated with reconfigurable topological ***-shaped gold disks coated with a flake of hexagonal boron nitride are exploited to tailor spin-orbit interactions and realise deeply subwavelength *** complex interplay between excitation spin,spiral geometry and HP2 dispersion enables robust reconfigurability of the associated topological *** results reveal unique opportunities to extend the application of HP2s into topological photonics,quantum information processing by integrating these phenomena with single-photon emitters,robust on-chip optical applications,sensing and nanoparticle manipulation.

关键词： Hyperbolic polariton vortex Light-matter interactions Spin-orbit interaction Topological charge Reconfigurability

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Sodium niobate with high photocatalytic activity for the removal of organic dye and inactivation of Escherichia coli, Staphylococcus aureus, and Klebsiella pneumoniae bacteria: the effect of Zn doping on these properties

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Ceramics International 2025年

作者： Fernandes, Daiane Raubach, Cristiane Trassante, Carla Dias, Vagner Melo, Luize Silveira, Marcelle Carvalho, Ramon Moreira, Mario Jardim, Pedro Ferrer, Mateus Giongo, Janice Vaucher, Rodrigo Longo, Elson Cava, Sergio Post-Graduate Program in Materials Science and Engineering Federal University of Pelotas RS Pelotas96010-610 Brazil Post-Graduate Program in Microbiology and Parasitology Federal University of Pelotas RS Capão do Leão96160-000 Brazil Post-Graduate Program in Physics Federal University of Pelotas RS Capão do Leão96160-000 Brazil Functional Materials Development Center São Carlos Federal University SP São Carlos13565-905 Brazil

NaNbO3 doped with Zn (0.00, 0.02, and 0.05 mmol) was synthesized by the microwave-assisted hydrothermal method. Photocatalytic and antibacterial activities were investigated. X-ray diffraction revealed the coexistence of two orthorhombic symmetries (P21ma and Pbma), with doping promoting a progressive increase in the Pbma fraction. All samples exhibited a fiber-like shape (diameter of ∼200 nm), which remained unchanged with doping. The low Zn content (0.02 mmol) reduced the band gap energy from 3.08 to 2.95 eV. As a result, this sample exhibited superior photocatalytic activity, achieving 100 % RhB dye degradation within 45 min, under UV light. Scavenger tests revealed that hydroxyl radicals, holes, and superoxide radical anions were the main active species involved in the photocatalytic reaction. Additionally, the photocatalyst demonstrated excellent recyclability over three consecutive cycles. Pure NaNbO3 exhibited strong antibacterial activity, completely inhibiting the growth of S. aureus, E. coli, and K. pneumoniae at the tested concentrations. Although the Zn-doped sample also demonstrated antibacterial action, the response was concentration-dependent. This study is the first report on Zn doping in NaNbO3, as well as the first investigation of its antibacterial activity against K. pneumoniae and S. aureus. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Escherichia coli

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Z-Laminating Assembly of Graphene Nanoflakes for Super-Strong Membranes and Functional Coatings

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ACS Applied Nano materials 2024年第13期7卷 14957-14963页

作者： Santos, Ian Daniell Tjarks, Patrick Muthu, Jeyavelan Lin, You-Chen Yen, Zhi-Long Chand, Pradyumna Kumar Raman, Radha Nguyen, Dinh Tuan Rouhani, Mehdi Jeng, Yeau-Ren Hsieh, Ya-Ping Hofmann, Mario Department of Physics National Taiwan University Taipei 106 Taiwan Nano Science and Technology Program Taiwan International Graduate Program Academia Sinica and National Taiwan University Taipei 106 Taiwan J. Heyrovsky Institute of Physical Chemistry of the Czech Academy of Sciences Prague 18200 Czech Republic Institute of Atomic and Molecular Sciences Academia Sinica Taipei 106 Taiwan Department of Chemistry National Taiwan University Taipei 106 Taiwan Department of Physics National Central University Taoyuan 320 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica and National Central University Taipei 106 Taiwan Department of Biomedical Engineering National Cheng Kung University 1 University Road Tainan 70101 Taiwan Department of Materials Science and Engineering National Cheng Kung University Tainan 70101 Taiwan Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng-Kung University (NCKU) Tainan 70101 Taiwan

We demonstrate the strengthening of graphene, an atomically thin carbon allotrope, by out-of-plane folding. Through lateral confinement of graphene at the water-air interface, nanoscale buckling was induced in suspended flakes, leading to an unexpected folding transition beyond a critical surface pressure. The emergence of folding was confirmed by in situ Brewster angle reflectivity and ex situ microscopy, showing a unique “z-laminated” nanostructure. Molecular dynamics simulations indicate that z-lamination yields an enhanced adhesion between neighboring flakes compared to lateral sliding, which was confirmed by a surface pressure hysteresis during the folding process. Mechanical testing reveals superior Young’s modulus and yield strength when compared to conventional graphene assemblies and even compared to composites. We demonstrate the potential of the z-lamination approach for applications in graphene-based structural materials, tribological layers, and functional electrochemical coatings. Finally, the complete recyclability of z-laminated graphene opens up new routes toward sustainable nanostructured materials. © 2024 The Authors. Published by American Chemical Society

关键词： 2D materials composites laminated graphene membranes recyclable

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AI for organic and polymer synthesis

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science China Chemistry 2024年第8期67卷 2461-2496页

作者： Xin Hong Qi Yang Kuangbiao Liao Jianfeng Pei Mao Chen Fanyang Mo Hua Lu Wen-Bin Zhang Haisen Zhou Jiaxiao Chen Lebin Su Shuo-Qing Zhang Siyuan Liu Xu Huang Yi-Zhou Sun Yuxiang Wang Zexi Zhang Zhunzhun Yu Sanzhong Luo Xue-Feng Fu Shu-Li You Center of Chemistry for Frontier Technologies Department of ChemistryZhejiang UniversityHangzhou 310027China Center of Basic Molecular Science Department of ChemistryTsinghua UniversityBeijing 100084China Guangzhou National Laboratory Guangzhou 510005China Center for Quantitative Biology Academy for Advanced Interdisciplinary StudiesPeking UniversityBeijing 100871China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200433China School of Materials Science and Engineering Peking UniversityBeijing 100871China Beijing National Laboratory for Molecular Sciences Center for Soft Matter Science and EngineeringKey Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China AI for Science(AI4S)-Preferred Program Shenzhen Graduate SchoolPeking UniversityShenzhen 518055China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of SciencesChinese Academy of SciencesShanghai 200032China Department of Chemical Sciences National Natural Science Foundation of ChinaBeijing 100085China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

Recent years have witnessed the transformative impact from the integration of artificial intelligence with organic and polymer synthesis. This synergy offers innovative and intelligent solutions to a range of classic problems in synthetic chemistry. These exciting advancements include the prediction of molecular property, multi-step retrosynthetic pathway planning, elucidation of the structure-performance relationship of single-step transformation, establishment of the quantitative linkage between polymer structures and their functions, design and optimization of polymerization process, prediction of the structure and sequence of biological macromolecules, as well as automated and intelligent synthesis platforms. Chemists can now explore synthetic chemistry with unprecedented precision and efficiency, creating novel reactions, catalysts, and polymer materials under the datadriven paradigm. Despite these thrilling developments, the field of artificial intelligence(AI) synthetic chemistry is still in its infancy, facing challenges and limitations in terms of data openness, model interpretability, as well as software and hardware support. This review aims to provide an overview of the current progress, key challenges, and future development suggestions in the interdisciplinary field between AI and synthetic chemistry. It is hoped that this overview will offer readers a comprehensive understanding of this emerging field, inspiring and promoting further scientific research and development.

关键词： organic synthesis polymer synthesis machine learning prediction chemical database automated synthesis

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An Assessment of Patent Scoring Using Natural Language programming

An Assessment of Patent Scoring Using Natural Language Progr...

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2022 Portland International Conference on Management of engineering and Technology, PICMET 2022

作者： Khongamnuaisak, Lertchai Pentrakoon, Duanghathai Sinthupinyo, Sukree Suanpong, Kwanrat Chulalongkorn University Technopreneurship and Innovation Management Program Graduate School Bangkok Thailand Chulalongkorn University Faculty of Science Department of Materials Science Bangkok Thailand Faculty of Engineering Chulalongkorn University Department of Computer Engineering Bangkok Thailand Chulalongkorn Business School Commerce Department Bangkok Thailand

ISBN: (数字)9781890843410

ISBN: (纸本)9781890843410

Patent has been an increasingly important role in the world because it is not only significant to protect the invention of the company's business but also to generate revenue from the commercialization. WIPO (2018) reports that the repository has many patents so, to assess patent, it consumes time and requires various expertise. Generally, several models have been developed to address this matter, which to assess using a questionnaire tool for portfolios by human. Perhaps, there is not precise because it is assessed base on personal bias or previous experience of expertise. So that, occurs bias any limitation exists that our research will address by artificial intelligence. Thus, this research applies a Natural Language programming to assess for commercial of the patent. Then, the obtained data is used to assigned factors and calculate the model for assessing the commercialization of patent. This finding should deliver an alternative effective patent assessment, which is tool addresses, some current deficiency patent assessment for commercialization. © 2022 PICMET.

关键词： Patents and inventions

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The Effect of air carbon arc gouging on the mechanical and electrochemical properties of AISI 316L submerged arc welds 11

The Effect of air carbon arc gouging on the mechanical and e...

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11th European Stainless Steel Conference science and Market, ESSC 2022 and 7th European Duplex Stainless Steel Conference and Exhibition, DUPLEX 2022

作者： Campesan, Gabriel Roberto de Bribean Guerra, Ana Paula Koga, Guilherme Yuuki Bolfarini, Claudemiro Federal University of São Carlos Department of Materials Science and Engineering Rod. Washington Luis São Carlos SP CEP 13565-905 Brazil Federal University of São Carlos Graduate Program in Materials Science and Engineering Rod. Washington Luis São Carlos SP CEP 13565-905 Brazil

ISBN: (纸本)9788898990269

In the maintenance and manufacturing practices of equipment in the petrochemical industry, the air carbon arc gouging-ACG is used in the preparation of carbon steel joints to be repaired or joined by welding. However, the Standards impose several restrictions to the use of this cost-effective process to stainless steels. The main concern is the pick-up of carbon and sensitization of the steels against corrosion. Therefore, this paper aimed to evaluate the effect of ACG of AISI 316L steel on its electrochemical and mechanical properties. The repaired/welded joints were studied in three different situations, namely: i) any type of cleaning, ii) brushing and iii) machining after gouging. The 20-mm-thick plate was submerged arc welded. Different regions on cross-section of welds were inspected to assess the degree of sensitization by double-loop electrochemical potentiokinetic reactivation (DL-EPR) method, and the risk of intergranular corrosion by oxalic acid etching tests. The electrochemical techniques and mechanical tests (only welded joints) such as tensile, hardness and impact measurements showed no impairing of such properties with the use of ACG, irrespective to the cleaning method used. © ESSC and DUPLEX 2022. All rights reserved.

关键词： Welds

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A comparative study of the structural and optoelectronic properties of Al- and Ga-doped ZnO films deposited by atmospheric pressure plasma jet

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Journal of Alloys and Compounds 2025年 1031卷

作者： Chou, Chih-Yun Chiu, Po-Han Chao, Yin-Chun Yen, Hung-Wei Juang, Jia-Yang Program in Nanoengineering and Nanoscience Graduate School of Advanced Technology National Taiwan University Taipei106319 Taiwan Department of Materials Science and Engineering National Taiwan University Taipei106319 Taiwan Department of Mechanical Engineering National Taiwan University Taipei106319 Taiwan

The high cost of gallium has driven interest in aluminum-doped zinc oxide (AZO) as a cost-effective alternative to gallium-doped zinc oxide (GZO). While prior studies have primarily focused on sputtering methods to compare AZO and GZO, research on non-sputtering techniques remains limited. Our previous works demonstrated favorable optoelectronic properties in GZO films deposited via atmospheric pressure plasma jet (APPJ);however, APPJ-deposited AZO has yet to be explored. In this study, we compare AZO and GZO thin films fabricated by APPJ under ambient conditions. We find that the deposition rate of AZO is approximately twice that of GZO under the same processing parameters, due to differences in droplet size from the ultrasonic generator. By adjusting precursor delivery and working distance (the nozzle-to-substrate gap), we can tune film thickness, morphology, and optoelectronic properties, showcasing APPJ's versatility over sputtering. Despite similar precursor concentrations and film thickness, AZO films exhibit lower carrier concentration (∼1 ×1020 cm–3) and mobility (∼7.5 cm2/Vs) than GZO (∼8 ×1020 cm–3 and ∼15 cm²/Vs), attributed to reduced aluminum incorporation (∼0.4 at% vs. ∼2.2 at% in GZO). Reducing the working distance from 2 mm to 1.5 mm improves both films’ structural integrity and optoelectronic performance (figure of merit increases by 140 % for GZO and 100 % for AZO). However, AZO remains inferior to GZO, highlighting the need for further optimization. © 2025 Elsevier B.V.

关键词： Transparent conducting oxides

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Study of Silicon Nitride Etched by Cyclic Atomic Layer Etching

Study of Silicon Nitride Etched by Cyclic Atomic Layer Etchi...

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2022 IET International Conference on engineering Technologies and Applications, IET-ICETA 2022

作者： Yang, Tsung-Ying Kuo, Mei-Yan Chang, Edward-Yi National Yang Ming Chiao Tung University International College of Semiconductor Technology Hsinchu Taiwan National Yang Ming Chiao Tung University Graduate Program for Nanotechnology Department of Materials Science and Engineering Hsinchu Taiwan

ISBN: (数字)9781665491389

ISBN: (纸本)9781665491389

In this work, cyclic atomic layer etching (ALE) was used to etch silicon nitride (SiN) to find its working conditions. To understand the mechanism behind it, we tested the ALE adsorption effect and the removal effect of the ALE working window. Also, we made a comparison with the etching RMS of normal etching ICP and showed that ALE has better etch flatness. This demonstrates that ALE has a potential ability to become a reliable and stable etching technology in the future. © 2022 IEEE.

关键词： Silicon nitride

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