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Machine learning in concrete science:applications,challenges,and best practices

npj Computational materials 2022年第1期8卷 1192-1208页

作者： Zhanzhao Li Jinyoung Yoon Rui Zhang Farshad Rajabipour Wil V.Srubar III Ismaila Dabo Aleksandra Radlińska Department of Civil and Environmental Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA Department of Structural Engineering Research Korea Institute of Civil Engineering and Building Technology(KICT)Goyang-si10223Republic of Korea Department of Civil Environmentaland Architectural EngineeringUniversity of Colorado BoulderBoulderCO80309USA Materials Science and Engineering Program University of Colorado BoulderBoulderCO80309USA Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA

Concrete,as the most widely used construction material,is inextricably connected with human *** conceptual and methodological progress in concrete science,concrete formulation for target properties remains a challenging task due to the ever-increasing complexity of cementitious *** the ability to tackle complex tasks autonomously,machine learning(ML)has demonstrated its transformative potential in concrete *** the rapid adoption of ML for concrete mixture design,there is a need to understand methodological limitations and formulate best practices in this emerging computational ***,we review the areas in which ML has positively impacted concrete science,followed by a comprehensive discussion of the implementation,application,and interpretation of ML *** conclude by outlining future directions for the concrete community to fully exploit the capabilities of ML models.

关键词： concrete directions autonomous

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Correction: materials laboratories of the future for alloys, amorphous, and composite materials (MRS Bulletin, (2025), 50, 2, (190-207), 10.1557/s43577-024-00846-y)

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MRS Bulletin 2025年 1-2页

作者： Banerjee, Sarbajit Meng, Y. Shirley Minor, Andrew M. Zhang, Minghao Zaluzec, Nestor J. Chan, Maria K.Y. Seidler, Gerald McComb, David W. Agar, Joshua Mukherjee, Partha P. Melot, Brent Chapman, Karena Guiton, Beth S. Klie, Robert F. McCue, Ian D. Voyles, Paul M. Robertson, Ian Li, Ling Chi, Miaofang Destino, Joel F. Devaraj, Arun Marquis, Emmanuelle A. Segre, Carlo U. Liu, Huinan H. Yang, Judith C. Momeni, Kasra Misra, Amit Abdolrahim, Niaz Medvedeva, Julia E. Cai, Wenjun Sehirlioglu, Alp Dizbay-Onat, Melike Mehta, Apurva Graham-Brady, Lori Maruyama, Benji Rajan, Krishna Warner, Jamie H. Taheri, Mitra L. Kalinin, Sergei V. Reeja-Jayan, B. Schwarz, Udo D. Simon, Sindee L. Brown, Craig M. Department of Chemistry and Department of Materials Science & Engineering Texas A & M University College Station United States Pritzker School of Molecular Engineering The University of Chicago Chicago United States Department of Materials Science & Engineering University of California Berkeley Berkeley United States National Center for Electron Microscopy Molecular Foundry Lawrence Berkeley National Laboratory Berkeley United States Center for Nanoscale Materials Argonne National Laboratory Lemont United States Department of Physics University of Washington Seattle United States Department of Materials Science & Engineering The Ohio State University Columbus United States Department of Mechanical Engineering and Mechanics Drexel University Philadelphia United States School of Mechanical Engineering Purdue University West Lafayette United States Department of Chemistry University of Southern California Los Angeles United States Department of Chemistry Stony Brook University The State University of New York Stony Brook United States Department of Chemistry University of Kentucky Lexington United States Department of Physics University of Illinois at Chicago Chicago United States Department of Materials Science & Engineering Northwestern University Evanston Bangladesh Department of Materials Science & Engineering University of Wisconsin–Madison Madison United States Department of Materials Science and Engineering University of Pennsylvania Philadelphia United States Department of Mechanical Engineering and Materials Science Duke University Durham United States Department of Chemistry Creighton University Omaha United States Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland United States Department of Materials Science & Engineering University of Michigan–Ann Arbor Ann Arbor United States Department of Physics Illinois Institute of Technology Chicago United States Department of Bioengineering and the Mater

This article was updated to correct Minghao Zhang’s affiliation from "Pritzker School of Molecular engineering, The University of Chicago, Chicago, USA" to "Pritzker School of Molecular engineering, The University of Chicago, Chicago, USA;Argonne National Laboratory, Lemont, USA." Argonne National Laboratory was left off the original publication. © The Author(s) 2025.

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Bio-inspired Smart Composites with Multi-scale Architecture and Surface engineering 23

Bio-inspired Smart Composites with Multi-scale Architecture ...

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23rd International Conference on Composite materials, ICCM 2023

作者： Zeng, Songshan Shen, Kuangyu Li, Rui Smith, Andrew Zhang, Dianyun Sun, Luyi Polymer Program Institute of Materials Science Department of Chemical & Biomolecular Engineering University of Connecticut United States

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Newly-modeled graphene-based ternary nanocomposite for the magnetophotocatalytic reduction of CO_(2) with electrochemical performance

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Frontiers of Chemical science and engineering 2022年第10期16卷 1438-1459页

作者： Zambaga Otgonbayar Kwang Youn Cho Chong-Hun Jung Won-Chun Oh Department of Advanced Materials Science&Engineering Hanseo UniversitySeosan-Si 31962Korea Korea Institutes of Ceramic Engineering and Technology Jinju-Si 660031Korea Decommissioning Technology Research Division Korea Atomic Energy Research InstituteDaejeon 305-600Korea Anhui International Joint Research Center for Nano Carbon-based Materials and Environmental Health College of Materials Science and EngineeringAnhui University of Science&TechnologyHuainan 232001China

The development of CO_(2)into hydrocarbon fuels has emerged as a green method that could help mitigate global *** novel structured photocatalyst is a promising material for use in a photocatalytic and magneto-electrochemical method that fosters the reduction of CO_(2)by suppressing the recombination of electron−hole pairs and effectively transferring the electrons to the surface for the chemical reaction of CO_(2)*** our study,we have developed a novel-structured AgCuZnS_(2)–graphene–TiO_(2)to analyze its catalytic activity toward the selective evolution of CO_(2).The selectivity of each nanocomposite substantially enhanced the activity of the AgCuZnS_(2)–graphene–TiO_(2)ternary nanocomposite due to the successful interaction,and the selectivity of the final product was improved to a value 3 times higher than that of the pure AgCuZnS_(2)and 2 times higher than those of AgCuZnS_(2)–graphene and AgCuZnS_(2)–TiO_(2)under ultraviolet(UV)-light(λ=254 nm)irradiation in the photocatalytic *** electrochemical CO_(2)reduction test was also conducted to analyze the efficacy of the AgCuZnS_(2)–graphene–TiO_(2)when used as a working electrode in laboratory electrochemical *** electrochemical process was conducted under different experimental conditions,such as various scan rates(mV·s^(–1)),under UV-light and with a 0.07 T *** evolution of CO_(2)substantially improved under UV-light(λ=254 nm)and with 0.07 T magnetic-core treatment;these improvements were attributed to the facts that the UV-light activated the electron-transfer pathway and the magnetic core controlled the pathway of electrontransmission/prevention to protect it from chaotic electron *** all tested nanocomposites,AgCuZnS_(2)–graphene–TiO_(2)absorbed the CO_(2)most strongly and showed the best ability to transfer the electron to reduce the CO_(2)to *** believe that our newly-modeled ternary nanocomposite opens up new opportunities for the evolution of C

关键词： ternary nanocomposite photocatalytic electrochemical CO_(2) reduction UV-light magnetic core

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Novel Synthesis of Ca²⁺-Doped MgAl2O3-G-SiO2 Mesoporous Nanospheres toward Sensing Effects for Selective Electrochemical Performance of Azithromycin (vol 27, pg 831, 2022)

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BIOTECHNOLOGY AND BIOPROCESS engineering 2022年第6期27卷 831 - 842页

作者： Cho, Kwang Youn Korea Institutes of Ceramic Engineering and Technology Jinju South Korea Decommissioning Technology Research Division Korea Atomic Energy Research Institute Daejeon South Korea Anhui International Joint Research Center for Nano Carbon-based Materials and Environmental Health College of Materials Science and Engineering Anhui University of Science & Technology Huainan China Department of Advanced Materials Science & Engineering Hanseo University Seosan South Korea

Azithromycin is one of the most concentrated antibiotics in wastewater, as conventional wastewater treatment facilities cannot eliminate this antibiotic from the environment. In this study, we proposed using a graphene-based mesoporous electrochemical sensor to take simultaneous voltammetric measurements of azithromycin. Because of its homogeneous pore structure, large surface area, quick electron transfer rate, and superior biocompatibility, magnesium-containing mesoporous silica is a promising resource for the immobilization of biomolecule matrix. Ca2+-doped MgAl2O3-G-SiO2 was used to build an amperometric biosensor through a self-assembly process. At room temperature in a buffer solution with a pH of 7.0, the modified electrode under ideal circumstances displayed good azithromycin sensing activity, a linear range of 1 to 5 µmolL−1, a detection limit of 0.5 µmolL−1, and a reaction time of less than 2 sec. An array of morphological analysis methods—including X-ray diffraction methos, scanning electron microscopy, Brunauer-Emmett-Teller method, high resolution tunneling electron microscopy, Raman, diffuse reflectance spectroscopy, and X-ray photoelectron spectroscopy—was used to examine the nanocomposite’s crystalline structure. Cyclic voltammetry was used to determine the sensing effects in the mesoporous active nanomaterials. Finally, it was found that the electrochemical sensor performed as an ideal biosensor that was able to detect azithromycin in the presence of several interfering species with high stability, selectivity, and repeatability.

关键词： azithromycin electrochemical performance high specific surface area mesoporous nanosphere sensing effects

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Low-Temperature Methanolysis of Polycarbonate over Solid Base Sodium Aluminate

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Langmuir 2024年第10期40卷 5338-5347页

作者： Krisbiantoro, Philip Anggo Sato, Miyu Lin, Tzu-Ming Chang, Yu-Chia Peng, Tzu-Yun Wu, Yun-Chih Liao, Weisheng Kamiya, Yuichi Otomo, Ryoichi Wu, Kevin C.-W. Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei11529 Taiwan International Graduate Program of Molecular Science and Technology National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering College of Engineering National Taiwan University Taipei10617 Taiwan Graduate School of Environmental Science Hokkaido University Nishi 5 Kita 10 Sapporo060-0810 Japan Faculty of Environmental Earth Science Hokkaido University Nishi 5 Kita 10 Sapporo060-0810 Japan Center of Atomic Initiative for New Materials National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan320 Taiwan

Herein, a low-cost and readily available sodium aluminate (NaAlO2) was used as a solid base catalyst for the depolymerization of polycarbonate (PC) via methanolysis in the presence of tetrahydrofuran (THF) as a solvent. NaAlO2 was highly active for the reaction, and the performance was comparable to that of soluble strong base SrO and much higher than those of MgO and CaO. By the reaction over the catalyst, a highly pure and crystalline bisphenol A (BPA) was obtained. Among tested organic solvents, THF was the best in aiding PC methanolysis over NaAlO2 due to the polarity similar to PC according to Hansen solubility parameters (HSPs). At 60 °C, 98.1% PC conversion and 96.8% BPA yield were achieved within just 2 h. NaAlO2 was reusable without any severe catalyst deactivation in at least four runs. The mechanistic study revealed that the reaction proceeded via the methoxide pathway, with THF aiding the dissolution of PC. The reaction over NaAlO2 possessed a low apparent activation energy (Ea) of 75.1 kJ mol-1, which is the lowest ever reported so far for the reaction over solid catalysts. © 2024 The Authors. Published by American Chemical Society.

关键词： Sodium Aluminate

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The safety aspect of sodium ion batteries for practical applications

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Journal of Energy Chemistry 2024年第8期95卷 407-427,I0009页

作者： Yingshuai Wang Runqing Ou Jingjing Yang Yuhang Xin Preetam Singh Feng Wu Yumin Qian Hongcai Gao School of Materials Science&Engineering Beijing Institute of TechnologyBeijing 100081China School of Physics Beijing Institute of TechnologyBeijing 100081China Yangtze Delta Region Academy of Beijing Institute of Technology Jiaxing 314019ZhejiangChina Beijing Institute of Technology Chongqing Innovation Center Chongqing 401120China Department of Ceramic Engineering Indian Institute of Technology(Banaras Hindu University)VaranasiUttar Pradesh 221005India

Sodium-ion batteries(SIBs)with advantages of abundant resource and low cost have emerged as promising candidates for the next-generation energy storage ***,safety issues existing in electrolytes,anodes,and cathodes bring about frequent accidents regarding battery fires and explosions and impede the development of high-performance ***,safety analysis and high-safety battery design have become prerequisites for the development of advanced energy storage *** reported reviews that only focus on a specific issue are difficult to provide overall guidance for building high-safety *** overcome the limitation,this review summarizes the recent research progress from the perspective of key components of SIBs for the first time and evaluates the characteristics of various improvement *** orderly analyzing the root causes of safety problems associated with different components in SIBs(including electrolytes,anodes,and cathodes),corresponding improvement strategies for each component were discussed *** addition,some noteworthy points and perspectives including the chain reaction between security issues and the selection of improvement strategies tailored to different needs have also been *** brief,this review is designed to deepen our understanding of the SIBs safety issues and provide guidance and assistance for designing high-safety SIBs.

关键词： Sodium ion batteries Safety Organic electrolytes modification Solid-state electrolyte Anode bulk modification Cathode bulk design

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Phase separation and domain crystallinity control enable open-air-printable highly efficient and sustainable organic photovoltaics

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InfoMat 2024年第3期6卷 131-143页

作者： Jie Lv Xiaokang Sun Hua Tang Fei Wang Guangye Zhang Liangxiang Zhu Jiaming Huang Qianguang Yang Shirong Lu Gang Li Frédéric Laquai Hanlin Hu Hoffmann Institute of Advanced Materials Shenzhen Polytechnic UniversityShenzhenthe People's Republic of China Shenzhen Institutes of Advanced Technology Chinese Academy of SciencesShenzhenthe People's Republic of China School of Materials Science and Engineering Xiangtan UniversityXiangtanthe People's Republic of China KAUST Solar Center Physical Sciences and Engineering Division(PSE)Materials Science and Engineering Program(MSE)King Abdullah University of Science and Technology(KAUST)ThuwalKingdom of Saudi Arabia College of New Materials and New Energies Shenzhen Technology UniversityShenzhenthe People's Republic of China Department of Electronic and Information Engineering The Hong Kong Polytechnic UniversityHong Kong SARthe People's Republic of China Department of Material Science and Technology Taizhou UniversityTaizhouthe People's Republic of China

Organic solar cells(OSCs)have emerged as a promising solution for sustainable energy production,offering advantages such as a low carbon footprint,short energy payback period,and compatibility with ***,the use of hazardous solvents continues to dominate the best-performing OSCs,mainly because of the challenges of controlling phase separation and domain crystallinity in *** this study,we combined the solvent vapor treatment of CS2 and thermal annealing to precisely control the phase separation and domain crystallinity in PM6:M-Cl and PM6:O-Cl systems processed with the eco-solvent *** method resulted in a maximum power conversion efficiency(PCE)of 18.4%,which is among the highest values reported for sustainable binary ***,the fabrication techniques were transferred from spin coating in a nitrogen environment to blade printing in ambient air,retaining a PCE of 16.0%,showing its potential for high-throughput and scalable *** addition,a comparative analysis of OSCs processed with hazardous and green solvents was conducted to reveal the differences in phase *** work not only underscores the significance of sustainability in OSCs but also lays the groundwork for unlocking the full potential of open-air-printable sustainable OSCs for commercialization.

关键词： open-air printable organic solar cells sustainability

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Migration and proliferation drive the emergence of patterns in co-cultures of differentiating vascular progenitor cells

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Mathematical Biosciences and engineering 2024年第8期21卷 6731-6757页

作者： Zamora Alvarado, Jose E. McCloskey, Kara E. Gopinathan, Ajay School of Engineering University of California Merced MercedCA95343 United States Graduate Program in Materials and Biomaterials Science and Engineering University of California Merced MercedCA95343 United States Department of Physics University of California Merced MercedCA95343 United States

Vascular cells self-organize into unique structures guided by cell proliferation, migration, and/or differentiation from neighboring cells, mechanical factors, and/or soluble signals. However, the relative contribution of each of these factors remains unclear. Our objective was to develop a computational model to explore the different factors affecting the emerging micropatterns in 2D. This was accomplished by developing a stochastic on-lattice population-based model starting with vascular progenitor cells with the potential to proliferate, migrate, and/or differentiate into either endothelial cells or smooth muscle cells. The simulation results yielded patterns that were qualitatively and quantitatively consistent with experimental observations. Our results suggested that post-differentiation cell migration and proliferation when balanced could generate between 30–70% of each cell type enabling the formation of vascular patterns. Moreover, the cell-to-cell sensing could enhance the robustness of this patterning. These findings computationally supported that 2D patterning is mechanistically similar to current microfluidic platforms that take advantage of the migration-directed self-assembly of mature endothelial and mural cells to generate perfusable 3D vasculature in permissible hydrogel environments and suggest that stem or progenitor cells may not be fully necessary components in many tissue formations like those formed by vasculogenesis. ©2024 the Author(s)

关键词： Endothelial cells

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Reuse of sodium–doped iridium oxide nanoparticles as a bio–stimulating electrode by a chemical and electrochemical recovery process

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ceramics International 2024年第4期50卷 6220-6228页

作者： Tso, Kuang-Chih Chen, Chieh-Hsuan Chen, Po-Chun Li, Shao-Sian Chen, Jeng-Lung Ohta, Jun Wu, Pu-Wei Division of Materials Science Graduate School of Science and Technology Nara Institute of Science and Technology Nara630-0192 Japan Graduate Degree Program of Science and Technology of Accelerator Light Source National Yang Ming Chiao Tung University Hsinchu300 Taiwan Department of Materials Science and Engineering National Yang Ming Chiao Tung University Hsinchu300 Taiwan Institute of Materials Science and Engineering National Taipei University of Technology Taipei106 Taiwan National Synchrotron Radiation Research Center Hsinchu300 Taiwan

A sequential chlorination and electrochemical reduction process is demonstrated to convert Na–doped iridium oxide nanoparticles into useful IrIIICl63−(aq) serving as the precursor for the fabrication of bio–stimulating electrode. The Na–doped iridium oxide nanoparticles are treated in 35 wt% hydrochloric acid at 70 °C for 18 h to form IrIVCl62−(aq) with pH of 0.3, so the latter could be readily reduced to IrIIICl63−(aq) at a potentiostatic mode of 0.6 V (vs. SCE). The oxidation state and the nature of complexing ligands for the regenerated IrIIICl63− and IrIVCl62−, as well as commercially available IrIIICl63− are validated by X–ray Absorption Spectroscopy. UV–Vis profiles of regenerated IrIVCl62−(aq) are recorded and the absorbance at 487 nm signal is benchmarked against that of standard IrIVCl62−(aq) to obtain the effective regeneration ratio of 68.6%. X–ray diffraction patterns of Na–doped iridium oxide nanoparticles before and after the annealing treatment indicate the amorphous structure facilitates the chlorination step. The regenerated IrIIICl63− is reused to synthesize Na–doped iridium oxide thin film serving as a bio–stimulating electrode for implantable bio–electronics. The regenerated Na–doped iridium oxide thin film reveals a charge-storage capacity of 0.32 mC/cm2-nm and impressive stability that are comparable to those of fresh Na–doped iridium oxide thin film derived from commercially available IrIIICl63−. © 2023 Elsevier Ltd and Techna Group S.r.l.

关键词： Transition metal oxides

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