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Aggregate 2023年第5期4卷 207-213页

作者： Yuta Ihara Hiroshi Yamagishi Masanobu Naito Yohei Yamamoto Department of Materials Science Faculty of Pure and Applied Sciencesand Tsukuba Research Center for Energy Materials Science(TREMS)University of TsukubaTsukubaJapan Research and Services Division of Materials Data and Integrated System(MaDIS) National Institute for Materials Science(NIMS)TsukubaJapan Program in Materials Science and Engineering Graduate School of Pure and Applied SciencesUniversity of TsukubaTsukubaJapan

Machine learning is an emerging tool in the field of materials chemistry for uncovering a principle from large ***,we focus on the spherical precipitation behavior of polymers and computationally extract a hidden trend that is orthogonal to the availability bias in the chemical *** constructing a dataset,four polymers were precipitated from 416 solvent/nonsolvent combinations,and the morphology of the resulting precipitates were *** dataset was subjected to computational investigations consisting of principal component analysis and machine learning based on random forest model and support vector ***,we eliminated the effect of the availability bias and found a linear combination of Hansen parameters to be the most suitable variable for predicting precipitation *** predicted appropriate solvents are those with low hydrogen bonding capability,low polarity,and small molecular ***,we found that the capability for spherical precipitation is orthogonal to the availability bias and forms an extraordinary axis in Hansen space,which is the origin of the conventional difficulty in identifying the *** extraordinary axis points toward a void region,indicating the potential value of synthesizing novel solvents located therein.

关键词： chemical space computational chemistry machine learning polymers precipitation

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Evaluation of Solubilization Time in Uncontrolled Atmosphere on Grain Growth, Phase Transformation Temperatures, and Mechanical Properties in a CuAlBe SMA

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Metallurgical and materials Transactions A: Physical Metallurgy and materials science 2025年

作者： da Silva Franco, Luiz Henrique Caluête, Rafael Evaristo de Lima, Bruno Alessandro Silva Guedes de Oliveira, Danniel Ferreira Brito, Ieverton Caiandre Andrade Department of Materials Engineering Federal University of Paraíba PB João Pessoa58051-900 Brazil Department of Mechanical Engineering Federal University of Paraíba PB João Pessoa58051-900 Brazil Graduate Program in Materials Science and Engineering Federal University of Paraíba PB João Pessoa58051-900 Brazil

Thermomechanical properties of SMAs are strongly affected by the metallurgical conditions imposed during their production. In this work, experiments were performed to investigate the behavior of the Cu–11.8Al–0.50Be (wt pct) SMA during solubilization at different times under an uncontrolled atmosphere. The results presented serve as a basis for predicting the macrostructure and thermomechanical properties in practical applications using CuAlBe SMAs. The grain growth evaluated by OM proved to be extremely sensitive to treatment time even after short intervals, tending to stabilize after 12 hours. Chemical analysis by EDS indicated a small variation in Al content produced during solidification, with 3 hours being enough to homogenize the Al concentration throughout the ingot despite producing a microstructure with non-uniform grain size. This variation in Al is not significant enough to influence the phase transformation temperatures, with the changes attributed to the grain growth and loss of Be by oxidation. ¼ hour resulted in the lowest values for maximum stress/strain, while 24 hours of solubilization showed the highest values of strain with small dispersion. The mixed fracture type (brittle/ductile) observed by SEM in the ¼ hour samples supports the hypothesis that ¼ hour is insufficient to dissolve the phases formed during solidification. This effect is aggravated by the strong elastic anisotropy, which contributes to embrittlement during quenching. © The Minerals, Metals & materials Society and ASM International 2025.

关键词： Setting

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Preliminary evaluation of the physical properties of red ceramic incorporated with solid residue

Preliminary evaluation of the physical properties of red cer...

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MRS Advances

作者： Nunes, Francine M. Rangel, Eduarda M. Machado, Fernando M. Camaratta, Rubens Cardoso, Letícia P. Nascimento, Lucas J. Program Post Graduate in Materials Science and Engineering Street Gomes Carneiro Number 1 Pelotas-RS Brazil Undergraduate in Materials Engineering United States

The food processing industry highlights the daily generation of large amounts of eggshell solid residue. In this way, this residue becomes a non renewable raw material to be reused as an additive in red ceramics, in order to reduce the volume of disposal to the environment and improve the physical properties of the product. The objective of this work was to evaluate the forming moisture, linear shrinkage of drying and shrinkage of drying burning of ceramic test pieces (CS's) with formulations with 2% and 3% of white eggshell residue (ER) incorporated in clay. The clay and ER were collected in the city of Pelotas-RS. The ER sample was analyzed by X-Ray Fluorescence (XRF) and X-Ray Diffraction (XRD). After pressing, natural and artificial drying was carried out and the CS's were burned. These were evaluated through normative parameters C-020/95, C-021/95 and C-026/95. The values obtained for the forming moisture were between 5.82 and 8.78%, for the linear shrinkage of drying between 0.10 and 0.43% and, for the linear contraction burning between -0.29 and 0.08%. The results showed that the addition of ER to the ceramic mass helped in the reduction of the forming moisture and the linear shrinkage of the ceramic test pieces. © 2018 materials Research Society.

关键词： Moisture

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Size-dependent infiltration and optical detection of nucleic acids in nanoscale pores

Size-dependent infiltration and optical detection of nucleic...

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作者： Lawrie, Jenifer L. Jiao, Yang Weiss, Sharon M. Department of Electrical Engineering and Computer Science Interdisciplinary Graduate Program in Materials Science Vanderbilt University Nashville TN 37235 United States

Experiments and complimentary simulations are presented to demonstrate the size-dependent infiltration and detection of variable length nucleic acids in porous silicon with controllable pore diameters in the range of 15-60 nm. The pore diameter must be tuned according to target molecule size in order to most effectively balance sensitivity and size-exclusion. A quantitative relationship between pore size (15-60 nm), nucleic acid length (up to ~5.3 nm), and sensor response is presented with smallermolecules detected more sensitively in smaller pores as long as the pore diameter is sufficient to enable molecular infiltration and binding in the pores. The density of probe molecules on the pore walls and subsequent hybridization efficiency for targetmolecule binding are also reported and are shown to depend strongly on the method of infiltration as well as the target molecule size.© 2010 IEEE.

关键词： Porous silicon

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Identifying materials-Level Sources of Performance Variation in Superconducting Transmon Qubits

arXiv

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arXiv 2025年

作者： Murthy, Akshay A. Bal, Mustafa Bedzyk, Michael J. Cansizoglu, Hilal Chan, Randall K. Chandrasekhar, Venkat Crisa, Francesco Datta, Amlan Deng, Yanpei Matute Diaz, Celeo D. Dravid, Vinayak P. Garcia-Wetten, David A. Garattoni, Sabrina Ghimire, Sunil Goronzy, Dominic P. de Graaf, Sebastian E. Haeuser, Sam Hersam, Mark C. Isheim, Dieter Joshi, Kamal Kim, Richard Kolachina, Saagar Kopas, Cameron J. Kramer, Matthew J. Lachman, Ella O. Lee, Jaeyel Lim, Peter G. Lunin, Andrei Mah, William Marshall, Jayss Mutus, Josh Y. Oh, Jin-Su Pappas, David P. Park, Joong-Mok Prozorov, Ruslan dos Reis, Roberto Seidman, David N. Sung, Zuhawn Tanatar, Makariy Walker, Mitchell J. Wang, Jigang Wu, Haotian Zhou, Lin Zhu, Shaojiang Grassellino, Anna Romanenko, Alexander BataviaIL60510 United States Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Rigetti Computing BerkeleyCA94710 United States Ames National Laboratory AmesIA50011 United States Department of Physics & Astronomy Iowa State University AmesIA50011 United States Department of Physics and Astronomy Northwestern University EvanstonIL60208 United States The NUANCE Center Northwestern University EvanstonIL60208 United States International Institute of Nanotechnology Northwestern University EvanstonIL60208 United States National Physical Laboratory TeddingtonTW11 0LW United Kingdom Department of Chemistry Northwestern University EvanstonIL60208 United States Department of Electrical and Computer Engineering Northwestern University EvanstonIL60208 United States Applied Physics Graduate Program Northwestern University EvanstonIL60208 United States Department of Materials Science and Engineering Iowa State University AmesIA50011 United States

The Superconducting materials and Systems (SQMS) Center, a DOE National Quantum Information science Research Center, has conducted a comprehensive and coordinated study using superconducting transmon qubit chips with known performance metrics to identify the underlying materials-level sources of device-to-device performance variation. Following qubit coherence measurements, these qubits of varying base superconducting metals and substrates have been examined with various nondestructive and invasive material characterization techniques at Northwestern University, Ames National Laboratory, and Fermilab as part of a blind study. We find trends in variations of the depth of the etched substrate trench, the thickness of the surface oxide, and the geometry of the sidewall, which when combined, lead to correlations with the T1 lifetime across different devices. In addition, we provide a list of features that varied from device to device, for which the impact on performance requires further studies. Finally, we identify two low-temperature characterization techniques that may potentially serve as proxy tools for qubit measurements. These insights provide materials-oriented solutions to not only reduce performance variations across neighboring devices, but also to engineer and fabricate devices with optimal geometries to achieve performance metrics beyond the state-of-the-art values. © 2025, CC BY.

关键词： Qubits

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A NEW DYNAMIC CORROSION TEST FOR DENTAL materials

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DENTAL materials 1989年第6期5卷 411-414页

作者： MELETIS, EI GIBBS, CA LIAN, K Louisiana State University Materials Science Engineering Program Mechanical Engineering Department Baton Rouge LA 70803-6413 United States University of California Biomedical Engineering Graduate Group Davis CA 95616 United States

A new laboratory technique has been developed in an effort to simulate the deterioration processes occurring in dental amalgam restorations while they are exposed to attack by the oral environment and simultaneously subjected to biting forces during mastication. This combined mechanical wear and corrosion action may be one of the major contributors to the degradation of dental amalgam restorations. The technique provides the capability of varying and measuring electrochemical and mechanical parameters during a sliding-wear process in a corrosive environment. A high-copper dental amalgam was selected and tested to demonstrate the applicability of the method in evaluating and studying the effects of the combined action of wear and corrosion processes on dental materials. For the particular amalgam material tested in the present study, it was found that sliding-wear significantly lowered its corrosion potential and increased corrosion rates by at least one order of magnitude.

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Correlations between water quality and precipitation in areas with different levels of human occupation

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International Journal of Energy and Water Resources 2021年第1期5卷 25-31页

作者： Rodrigues, Lucas Augusto Pereira Radomski, Fernando Aparecido Dias Godoy, Rodrigo Felipe Bedim Trevisan, Elias Crisigiovanni, Enzo Luigi Department of Environment State University of Maringá Maringá-PR Brazil Graduate Program in Materials Science and Engineering Federal University of Paraná Curitiba-PR Brazil Graduate Program in Forest Sciences Unicentro Guarapuava-PR Brazil

Riverine water is largely used for human consumption and it is well known that its quality is correlated to many external factors. Because of that, this study evaluated linear correlations between precipitation and several water quality parameters using data collected from Antas’ river (Paraná, Brazil) at locations with different levels of human occupation aiming to identify water quality irregularities related to these important external factors, especially at a point surrounded by preserved vegetation. The statistical analyses were made using Pearson’s linear correlation coefficient (r) and the open source programming software, R. The results showed that precipitation has moderate to strong correlation with turbidity, true color, total coliforms and E. coli (0.99 ≥ r ≥ 0.44), and also has weak to moderate correlations with pH (− 0.39 ≥ r ≥ − 0.58) and biochemical oxygen demand (0.48 ≥ r ≥ 0.36), regardless of the level of human occupation nearby. The high correlations observed for E. coli and total coliforms in an area protected by native vegetation, probably due to adjacent rural activities, represents a novel and major finding. Dissolved oxygen and temperature showed no significant correlations with rainfall volume (0.26 ≥ r ≥ − 0.19). Since Brazilian law ensures that water quality parameters must be measured and considered in projects of water resources management, the proposed methodology seems to be promising for government policies applications, since it comprises only simple analyzes and a free software for simulations. © Islamic Azad University (IAU) 2021.

关键词： Hydrology R software Rainfall Spatial data Statistical analysis

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Front Cover: Potassium Carbonate as a Low-Cost and Highly Active Solid Base Catalyst for Low-Temperature Methanolysis of Polycarbonate (ChemSusChem 2/2025)

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ChemSusChem 2025年第2期18卷

作者： Tzu-Ming Lin Philip Anggo Krisbiantoro Miyu Sato Yu-Chia Chang Eduardo C. Atayde Dr. Weisheng Liao Prof. Yuichi Kamiya Dr. Ryoichi Otomo Prof. Kevin C.-W. Wu Department of Chemical Engineering National Taiwan University Taipei 10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei 11529 Taiwan International Graduate Program of Molecular Science and Technology National Taiwan University Taipei 10617 Taiwan Graduate School of Environmental Science Hokkaido University Nishi 5 Kita 10 Kita-ku Sapporo 060-0810 Japan Department of Chemistry National Tsing Hua University Hsinchu 30013 Taiwan Faculty of Environmental Earth Science Hokkaido University Nishi 5 Kita 10 Kita-ku Sapporo Japan Department of Chemical Engineering and Materials Science Yuan Ze University Chung-Li Taoyuan Taiwan Department of Chemical Engineering Chung Yuan Christian University Taoyuan City 320 Taiwan

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When quantum dots meet blue phase liquid crystal elastomers:visualized full-color and mechanically-switchable circularly polarized luminescence

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Light(science & Applications) 2024年第6期13卷 1210-1220页

作者： Shan Li Yuqi Tang Qingyan Fan Ziyuan Li Xinfang Zhang Jingxia Wang Jinbao Guo Quan Li Key Laboratory of Carbon Fibers and Functional Polymers Ministry of Educationand College of Materials Science and EngineeringBeijing University of Chemical Technology100029BeijingChina Institute of Advanced Materials and School of Chemistry and Chemical Engineering Southeast UniversityNanjing211189China Materials Science Graduate Program Kent State UniversityKentOH44242USA CAS Key Laboratory of Bio-Inspired Materials and Interfacial Sciences Technical Institute of Physics and ChemistryChinese Academy of Sciences100190BeijingChina

Polymer-based circularly polarized luminescence(CPL)materials with the advantage of diversified structure,easy fabrication,high thermal stability,and tunable properties have garnered considerable ***,adequate and precise tuning over CPL in polymer-based materials remains challenging due to the difficulty in regulating chiral ***,visualized full-color CPL is achieved by doping red,green,and blue quantum dots(QDs)into reconfigurable blue phase liquid crystal elastomers(BPLCEs).In contrast to the CPL signal observed in cholesteric liquid crystal elastomers(CLCEs),the chiral 3D cubic superstructure of BPLCEs induces an opposite CPL ***,this effect is entirely independent of photonic bandgaps(PBGs)and results in a high glum value,even without matching between PBGs and the emission bands of ***,the lattice structure of the BPLCEs can be reversibly switched via mechanical stretching force,inducing on-off switching of the CPL signals,and these variations can be further fixed using dynamic disulfide bonds in the ***,the smart polymer-based CPL systems using the BPLCEs for anti-counterfeiting and information encryption have been demonstrated,suggesting the great potential of the BPLCEs-based CPL active materials.

关键词： circular quantum crystal

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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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