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A study on the effect of pH conditions on the properties of self-healing mortar cubes

IOP Conference Series: materials science and engineering 2019年第1期577卷

作者： Sruthy Subash V Poornima Karingamanna Jayanarayanan Post Graduate Student Center of Excellence in Advanced Materials & Green Technologies (CoE – AMGT) Amrita School of Engineering Coimbatore Amrita Vishwa Vidyapeetham India Assistant Professor Department of Civil Engineering Amrita School of Engineering Coimbatore Amrita Vishwa Vidyapeetham India Professor Department of Chemical Engineering and Materials Science Amrita School of Engineering Coimbatore Amrita Vishwa Vidyapeetham India

This paper discusses the effect of pH on the various properties of the self-healing mortars (SHM). The bacteria induced structures have the ability to heal cracks generated on its surfaces by precipitating minerals inside the pores which bio mimics the natural healing processes occurring in nature, thus being an environment friendly technology that contributes in maintaining the structural durability. The microbiologically induced precipitation accelerates at different rates at different conditions. Hence an attempt has been made to analyse the changes in the properties in mortar cubes induced with 105 cells/ml concentration of Bacillus megaterium solution and subjecting them to different curing media at different pH conditions. The healing efficiency of the cracks induced in the mortar cubes are evaluated visually for successive days. Through X-ray Diffraction analysis the white powder covering crack surface is confirmed to be calcite. The percentage reduction in the compressive strength of the samples after healing was found to be only 3% after 28 days of curing. The findings of the paper suggest promising application of self-healing mortar cubes at different geographical locations by varying the amount of bacterial solution.

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The Alumina Film Nanomorphology Formed to Improve the Corrosion Resistance of Al-2.0 wt% Fe Alloy as Result of the Laser Surface Melting Technique Applied

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Advances in Chemical engineering and science 2017年第1期7卷 10-22页

作者： Moises Meza Pariona Katieli Tives Micene Graduate Program in Engineering and Materials Science State University of Ponta Grossa (UEPG) Ponta Grossa Brazil

The laser surface remelting (LSR) treatment was performed to Al-2.0 wt% Fe alloy with a 2 kW Yb-fiber laser (IPG YLR-2000S). The substrate and laser-treated material characterization were executed using different techniques. Among them, the microstructure was analyzed by optical microscope, SEM, low-angle X-ray diffraction (LAXRD) and the corrosion test was made in aerated solution of 0.1 M H2SO4 at a temperature of 25°C ± 0.5°C. As result was shown, the micrograph of LSR-treated material displaying can be a fine cellular structure and the existence of certain nano-porosities and a similar to a nano-dendritic growth was observed too. The characteristic of melted zone was constituted of metastable phases according to the result of x-rays and the behavior corrosion as a result of the LSR-treated sample, which it was shown to be more resistant to corrosion than the untreated sample. A comparative study was carried out of the cyclic polarization of the laser-treated and untreated samples, demonstrating that the reduction and oxidation reverse peaks were not observed and being the cyclic polarization behavior was of irreversible character in both samples, however, the LSR-treated sample propitious the passivity on the surface also reduced the corrosion phenomena. Wherefore, this type of laser-treated alloy can be applied in the aerospace, aeronautic and automobilist industries.

关键词： Al-2.0 wt% Fe Alloy Laser-Treated Microstructure Low-Angle X-Ray Diffraction Cyclical Polarization

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Polycrystalline ZrTe5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

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Physical Review Applied 2018年第1期9卷 014025-014025页

作者： Samuel A. Miller Ian Witting Umut Aydemir Lintao Peng Alexander J. E. Rettie Prashun Gorai Duck Young Chung Mercouri G. Kanatzidis Matthew Grayson Vladan Stevanović Eric S. Toberer G. Jeffrey Snyder Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA Department of Chemistry Koç University Sariyer Istanbul 34450 Turkey Applied Physics Graduate Program Northwestern University Evanston Illinois 60208 USA Materials Science Division Argonne National Laboratory Argonne Illinois 60439 USA National Renewable Energy Laboratory Golden Colorado 80401 USA Department of Metallurgical and Materials Engineering Colorado School of Mines Golden Colorado 80401 USA Department of Chemistry Northwestern University Evanston Illinois 60208 USA Department of Electrical Engineering and Computer Science Northwestern University Evanston Illinois 60208 USA Department of Physics Colorado School of Mines Golden Colorado 80401 USA

The transition-metal pentatellurides HfTe5 and ZrTe5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n−p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, the thermal conductivity for polycrystalline samples is much lower, 1.5 Wm−1 K−1, than previously reported for single crystals. It is found that the polycrystalline ZrTe5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n- to p-type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the two-band model, the thermoelectric performance at different doping levels is predicted, finding zT=0.2 and 0.1 for p and n type, respectively, at 300 K, and zT=0.23 and 0.32 for p and n type at 600 K. Given the reasonably high zT that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.

关键词： Band gap Charge density waves Hall effect Semimetals Spin-orbit coupling Thermoelectric effects Chalcogenides Semiconductor compounds

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Dynamical charge structure factor of a one-dimensional ionic Hubbard model in the low-energy region

arXiv

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arXiv 2018年

作者： Komaki, Yuhei Iwase, Yuma Yanagimatsu, Shogo Muta, Yoshiyuki Maeshima, Nobuya Hino, Ken-ichi Doctoral Program in Materials Science Graduate School of Pure and Applied Sciences University of Tsukuba Tsukuba Ibaraki305-8573 Japan College of Engineering Sciences University of Tsukuba Tsukuba305-8573 Japan Center for Computational Sciences University of Tsukuba Tsukuba305-8577 Japan Division of Materials Science University of Tsukuba Tsukuba305-8573 Japan

We present a numerical study of the charge dynamical structure factor N(k, ω) of a one-dimensional (1D) ionic Hubbard model in the Mott insulator (MI) phase. We show that the low-energy spectrum of N(k, ω) is expressed in terms of the spin operators for the spin degrees of freedom. Numerical results for the spin degrees of freedom, obtained by the Lanczos diagonalization method, well reproduce the low-energy spectrum of N(k, ω) of the 1D ionic Hubbard model. In addition, we show that these spectral peaks probe the dispersion of the spin-singlet excitations of the system and are observed in the wide parameter region of the MI phase. Copyright © 2018, The Authors. All rights reserved.

关键词： Numerical methods

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The definition of sng: The expert consensus by the sng taxonomy Task force of the Taiwan sng Society

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Journal of the Formosan Medical Association 2025年

作者： Han, Der-Sheng Lin, Jiann-Her Hung, Chih-Hsien Huang, Shuping Chen, Jen-Yin Chiang, Yung-Hsiao Chiu, Hsiao-Yean Chou, Li-Wei Hsieh, Cheng-Ta Huang, Ming-Chyi Huang, Wei-Lieh Kang, Jiunn-Horng Lee, Hsun-Hua Lin, Chia-Shu Lin, Chien-Min Lin, Chih-Peng Lin, Ying-Tung Liu, Yen-Chin Ro, Long-Sun Shen, Chiung-Chyi Su, Lily I-Wen Su, Yu-Jih Sun, Jui-Ming Sung, Jia-Ying Tsai, Rong-Kung Wang, Man-Ling Wen, Yeong-Ray Weng, Hao-Jui Wu, Ming-Shun Yu, Yu-Wen Hsieh, Sung-Tsang Wang, Shuu-Jiun Sun, Wei-Zen Chen, Chih-Cheng Department of Physical Medicine and Rehabilitation National Taiwan University Hospital Beihu Branch Taipei Taiwan Department of Physical Medicine and Rehabilitation National Taiwan University College of Medicine Taipei Taiwan Division of Neurosurgery Department of Surgery Taipei Medical University Hospital Taipei Taiwan Department of Surgery School of Medicine College of Medicine Taipei Medical University Taipei Taiwan Taipei Neuroscience Institute Taipei Medical University Taipei Taiwan TMU Research Center of Neuroscience Taipei Medical University Taipei Taiwan Department of Neurology Kaohsiung Medical University Hospital Kaohsiung Taiwan School of Medicine College of Medicine Kaohsiung Medical University Kaohsiung Taiwan Department of Foreign Languages and Literature National Sun Yat-sen University Kaohsiung Taiwan Department of Anesthesiology Chi Mei Medical Center Tainan Taiwan School of Medicine College of Medicine National Sun Yat-sen University Kaohsiung Taiwan School of Nursing College of Nursing Taipei Medical University Taipei Taiwan Department of Nursing Taipei Medical University Hospital Taipei Taiwan Department of Physical Medicine and Rehabilitation China Medical University Hospital Taichung Taiwan Department of Physical Medicine and Rehabilitation Asia University Hospital Asia University Taichung Taiwan Department of Physical Therapy and Graduate Institute of Rehabilitation Science China Medical University Taichung Taiwan Division of Neurosurgery Department of Surgery Cathay General Hospital Taipei Taiwan School of Medicine National Tsing-Hua University Hsinchu Taiwan Department of Medicine School of Medicine Fu Jen Catholic University New Taipei City Taiwan Department of Psychiatry Taipei City Psychiatric Center Taipei City Hospital Taipei Taiwan Department of Psychiatry National Taiwan University Hospital Yunlin Branch Yunlin Taiwan Department of Physical Medicine and Rehabilitation Taipei Medical University Hospital Taip

“Sng” is a Taiwanese term describing a distinct state of soreness. Accumulating evidence indicates that sng is a specific somatosensory modality, independent of pain, with distinct receptors and transduction pathways. In recent years, variations in its presentation across different medical specialties have highlighted the need for a standardized definition of sng-related terminology. To address this, the Taiwan Sng Society established a multidisciplinary Sng Taxonomy Task Force, comprising 32 experts in both clinical and basic sciences related to sng. Here we summarize the discussions and expert consensus from the Task Force. A total of 16 sng-related terminology was defined. The first edition of sng terminology aims to establish a clear, standardized framework for the clinical practice and research of sng. © 2025 Formosan Medical Association

关键词： Definition sng Sngception Taxonomy Terminology

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Computational analysis for the rational design of anti-amyloid beta (Aβ) antibodies

arXiv

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arXiv 2018年

作者： Greene, D'Artagnan Po, Theodora Pan, Jennifer Tabibian, Tanya Luo, Ray Department of Molecular Biology and Biochemistry University of California IrvineCA92697 United States Chemical and Materials Physics Graduate Program University of California IrvineCA92697 United States Department of Biomedical Engineering University of California IrvineCA92697 United States Department of Chemical Engineering and Materials Science University of California IrvineCA92697 United States

Alzheimer’s Disease (AD) is a neurodegenerative disorder that lacks effective treatment options. Anti-amyloid beta (Aβ) antibodies are the leading drug candidates to treat AD, but the results of clinical trials have been disappointing. Introducing rational mutations into anti-Aβ antibodies to increase their effectiveness is a way forward, but the path to take is unclear. In this study, we demonstrate the use of computational fragment-based docking and MMPBSA binding free energy calculations in the analysis of anti-Aβ antibodies for rational drug design efforts. Our fragment-based docking method successfully predicted the emergence of the common EFRH epitope, MD simulations coupled with MMPBSA binding free energy calculations were used to analyze scenarios described in prior studies, and we introduced rational mutations into PFA1 to improve its calculated binding affinity towards the pE3-Aβ3−8 form of Aβ. Two out of four proposed mutations stabilized binding. Our study demonstrates that a computational approach may lead to an improved drug candidate for AD in the future. Copyright © 2018, The Authors. All rights reserved.

关键词： Antibodies

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Analyses of protein cores reveal fundamental differences between solution and crystal structures

arXiv

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arXiv 2019年

作者： Mei, Zhe Treado, John D. Grigas, Alex T. Levine, Zachary A. Regan, Lynne O'Hern, Corey S. Integrated Graduate Program in Physical & Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Graduate Program in Computational Biology & Bioinformatics Yale University New HavenCT06520 United States Department of Pathology Yale University New HavenCT06520 United States Department of Molecular Biophysics and Biochemistry Yale University New HavenCT06520 United States Institute of Quantitative Biology Biochemistry and Biotechnology Center for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

There have been several studies suggesting that protein structures solved by NMR spectroscopy and x-ray crystallography show significant differences. To understand the origin of these differences, we assembled a database of high-quality protein structures solved by both methods. We also find significant differences between NMR and crystal structures|in the root-mean-square deviations of the Cα atomic positions, identities of core amino acids, backbone and sidechain dihedral angles, and packing fraction of core residues. In contrast to prior studies, we identify the physical basis for these differences by modelling protein cores as jammed packings of amino-acid-shaped particles. We find that we can tune the jammed packing fraction by varying the degree of thermalization used to generate the packings. For an athermal protocol, we find that the average jammed packing fraction is identical to that observed in the cores of protein structures solved by x-ray crystallography. In contrast, highly thermalized packing-generation protocols yield jammed packing fractions that are even higher than those observed in NMR structures. These results indicate that thermalized systems can pack more densely than athermal systems, which suggests a physical basis for the structural differences between protein structures solved by NMR and x-ray crystallography. Copyright © 2019, The Authors. All rights reserved.

关键词： X ray crystallography

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Vectorial Holograms: Full‐Color Complex‐Amplitude Vectorial Holograms Based on Multi‐Freedom Metasurfaces (Adv. Funct. Mater. 21/2020)

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Advanced Functional materials 2020年第21期30卷

作者： Zi‐Lan Deng Mingke Jin Xuan Ye Shuai Wang Tan Shi Junhong Deng Ningbin Mao Yaoyu Cao Bai‐Ou Guan Andrea Alù Guixin Li Xiangping Li Guangdong Provincial Key Laboratory of Optical Fiber Sensing and Communications Institute of Photonics Technology Jinan University Guangzhou 510632 P. R. China Department of Materials Science and Engineering Shenzhen Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen 518055 P. R. China Photonics Initiative Advanced Science Research Center City University of New York 85 St. Nicholas Terrace New York NY 10031 USA Physics Program The Graduate Center City University of New York 365 Fifth Avenue New York NY 10016 USA Department of Electrical Engineering City College of New York New York NY 10031 USA

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Processing-dependent thermal stability of a prototypical amorphous metal oxide

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Physical Review materials 2018年第5期2卷 053401-053401页

作者： Li Zeng Mahyar M. Moghadam D. Bruce Buchholz Ran Li Denis T. Keane Vinayak P. Dravid Robert P. H. Chang Peter W. Voorhees Tobin J. Marks Michael J. Bedzyk Graduate Program in Applied Physics Northwestern University Evanston Illinois 60208 USA Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA Northwestern Synchrotron Research Center Argonne Illinois 60439 USA Department of Chemistry Northwestern University Evanston Illinois 60208 USA Department of Physics and Astronomy Northwestern University Evanston Illinois 60208 USA

Amorphous metal oxides (AMOs) are important candidate materials for fabricating next-generation thin-film transistors. While much attention has been directed toward the synthesis and electrical properties of AMOs, less is known about growth conditions that allow AMOs to retain their desirable amorphous state when subjected to high operating temperatures. Using in situ x-ray scattering and level-set simulations, we explore the time evolution of the crystallization process for a set of amorphous In2O3 thin films synthesized by pulsed-laser deposition at deposition temperatures (Td) of −50, −25, and 0 °C. The films were annealed isothermally and the degree of crystallinity was determined by a quantitative analysis of the time-evolved x-ray scattering patterns. As expected, for films grown at the same Td, an increase in the annealing temperature TA led to a shorter delay prior to the onset of crystallization, and a faster crystallization rate. Moreover, when lowering the deposition temperature by 25 °C, a 40 °C increase in annealing temperature is needed to achieve the same time interval for the crystals to grow from 10 to 90% volume fraction of the sample. Films grown at Td=0∘C exhibited strong cubic texture after crystallization. A level-set method was employed to quantitatively model the texture that develops in the microstructures and to determine key parameters, such as the interface growth velocity, the nucleation density, and the activation energy. The differences observed in the crystallization processes are attributed to the changes in the atomic structure of the oxide and possible nanocrystalline inclusions that formed during the deposition of the amorphous phase.

关键词： Annealing Crystallization Electron diffraction Laser ablation Numerical techniques X-ray diffraction

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Inside Front Cover: Volume 2 Issue 2

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SmartMat 2021年第2期2卷

作者： Jie Xu Xiaoya Cui Nan Liu Yanan Chen Hong-Wei Wang Ministry of Education Key Laboratory of Protein Sciences Beijing Advanced Innovation Center for Structural Biology School of Life Sciences Tsinghua University Beijing China Tsinghua-Peking Joint Center for Life Sciences Tsinghua University Beijing China School of Materials Science and Engineering Tsinghua University Tianjin China Hong-Wei Wang Ministry of Education Key Laboratory of Protein Sciences Beijing Advanced Innovation Center for Structural Biology School of Life Sciences Tsinghua University 100084 Beijing China. Joint Graduate Program of Peking-Tsinghua-NIBS School of Life Sciences Tsinghua University Beijing China Beijing Frontier Research Center for Biological Structures Tsinghua University Beijing China

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