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Electric-field enhanced molecule detection in suspension on assembled plasmonic arrays by Raman spectroscopy

Journal of Nanotechnology in engineering and Medicine 2014年第4期5卷 040906页

作者： Liu, Chao Xu, Xiaobin Fan, D.L. Materials Science and Engineering Program University of Texas at Austin AustinTX78712 United States Materials Science and Engineering Program Department of Mechanical Engineering University of Texas at Austin AustinTX78712 United States

One of the greatest challenges in surface enhanced Raman scattering (SERS) sensing is to detect biochemicals directly from suspension with ultrasensitivity. In this work, we employed strategically designed longitudinal nanocapsule structures with uniformly surface distributed Ag nanoparticles (Ag NPs) to dually focus and enhance SERS sensitivity of biochemicals in suspension assisted with electric fields. By tuning the reaction conditions, Ag NPs were synthesized and uniformly grown with optimized sizes and junctions on the surface of nanocapsules for well reproducible detection. The Ag NPs can further concentrate molecules from suspension due to induced electrokinetic effects in electric fields. As a result, the signals of Nile blue molecules can be enhanced by 34.463.1% at optimal alternating current (AC) frequencies and voltages compared to that without electric fields. This work demonstrates the dual roles of a new type of plasmonic NPs for molecule concentration and detection, which could inspire new Raman sensing devices for applications in microfluidics. Copyright © 2014 by ASME.

关键词： Silver nanoparticles

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Tribological investigation of 2009 Al-20 vol% SiCP/17-4 PH .2. Counterpart performance

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WEAR 1996年第1-2期196卷 202-206页

作者： Sannino, AP Rack, HJ Materials Science and Engineering Program Department of Mechanical Engineering Clemson University Clemson SC 29634-0921 USA

A statistical model for steady-state sliding wear of the metal counterpart in metal-composite systems has been extended to include composite reinforcement size and size distribution. It has been shown that the wear rate of the metal counterpart under conditions where MMC wear is characterized by plastic deformation (microplowing) is controlled by the ratio between the mean of particulate radius squared and the square mean particulate radius, E(r(2))/E(r)(2), a descriptor of the particulate size and distribution. Under these instances, e.g. for 4, 10 and 13 mu m particulate discontinuously reinforced aluminum (DRA)/17-4 PH tribosystems, the modified statistical model permits accurate prediction of the wear performance of the unreinforced counterpart. However, when MMC wear involves reinforcement cracking and delamination, the model overestimates the wear rate of the counterpart, i.e. in the 29 mu m Al-SiCp/17-4 PH tribosystems.

关键词： wear modeling reinforced aluminum composites unreinforced counterpart

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Polyacrylamide hydrogel containing rice husk ash as internal curing agent in mortar/concrete

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Journal of Molecular Liquids 2025年 423卷

作者： de Almeida, Edson Araujo Kruger, Fábio Rodrigo Valderrama, Patrícia da Silva Gonzalez, Regiane Muniz, Edvani Curti Chemistry Postgraduation Program Chemistry Department State University of Maringá – UEM Paraná Maringá87020-90 Brazil Civil Engineering Department Federal University of Technology – Paraná – UTFPR-CM Paraná Campo Mourão87301-899 Brazil Chemistry Department Federal University of Technology – Paraná – UTFPR-CM Paraná Campo Mourão87301-899 Brazil Food Postgraduation Program Federal University of Technology – Paraná – UTFPR-CM PR Campo Mourão87301-899 Brazil Materials Science and Engineering Postgraduation Program Federal University of Technology – Paraná – UTFPR-LD PR Londrina86036-370 Brazil Chemistry Postgraduation Program Chemistry Department Federal University of Piauí – UFPI Piauí Teresina64049-550 Brazil

Internal curing is a process based on the addition of materials that work as water reservoirs in cementitious media. Their function is to minimize the effect of water lost through evaporation and self-desiccation that occurs during curing. Hydrogels are polymeric materials that have the ability of absorbing and retaining water and releasing it in a gradual and sustained way. In this work, polyacrylamide hydrogel containing rice husk ash (PAAm/RHA) was synthesised and applied in mortar and concrete formulations. The aim was to study the influence of this material on the hydration process and on the final properties of such cementitious materials. The results indicated that the addition of as prepared composite hydrogel improved the mechanical strength and reduced shrinkage in the mortar in 23%;however, its application in concrete led to a reduction of 7.1% in the mechanical strength. Despite this, it can be postulated that the developed hydrogel acts satisfactorily for internal curing in cementitious materials. To the best of our knowledge, it is the first time that hydrogel formulation uses rice husk ash (RHA) and crosslinked polyacrylamide to be used as curing agent for mortars and concrete. Beyond the technological use of composite hydrogel as curing agent, the methodology is also interesting because rice husk ash, as by-product from rice agro-industries, was used. So, it should be seen also as a contribution for environment. © 2025 Elsevier B.V.

关键词： Mortar

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A MODIFIED REAL PARTICLE METHOD FOR THE CALCULATION OF THE CHEMICAL-POTENTIALS OF MOLECULAR-SYSTEMS

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JOURNAL OF CHEMICAL PHYSICS 1992年第5期97卷 3550-3556页

作者： KUMAR, SK Department of Materials Science and Engineering Polymer Science Program Pennsylvania State University University Park Pennsylvania

We propose a new technique, which is a combination of the test and real particle methods proposed originally by Widom, for the calculation of the chemical potentials of molecular systems from computer simulation. The technique involves the creation of a hole in the fluid by removing a particle from the simulated system, and subsequently reinserting it as a test bead. The equations for the calculation of chemical potentials are derived, and it is shown that the results obtained by this method for Lennard-Jones fluids are accurate over larger ranges in temperature and density than other traditional methods. In spite of these advantages for simple systems, the proposed technique is expected to be of greatest value when dealing with complex systems containing ionic or polymeric molecules.

关键词： CALCULATION METHODS MODIFICATIONS CHEMICAL POTENTIAL MOLECULES COMPUTERIZED SIMULATION FLUIDS

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Comparative in vitro Study on Pure Metals(Fe,Mn,Mg,Zn and W) as Biodegradable Metals

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Journal of materials science & Technology 2013年第7期29卷 619-627页

作者： J.Cheng B.Liu Y.H.Wu Y.F.Zheng Center for Biomedical Materials and Tissue Engineering Academy for Advanced Interdisciplinary StudiesPeking University State Key Laboratory for Turbulence and Complex System and Department of Materials Science and Engineering College of EngineeringPeking University

Five pure metals including Fe, Mn, Mg, Zn and W have been investigated on their corrosion behavior and in vitro biocompatibility by electrochemical measurement, static immersion test, contact angle measurement, cytotoxicity and hemocompatibility tests. It is found that the sequence of corrosion rate of five metals in Hank＇s solution from high to low is： Mg 〉 Fe 〉 Zn 〉 Mn 〉 W. Fe, Mg and W show no cytotoxicity to L929 and ECV304 cells, Mn induces significant cytotoxicity to both L929 and ECV304 cells, and Zn has almost no inhibition effect on the metabolic activities of ECV304 while largely reduces the cell viability of L929 cells. The hemolysis percentage of five pure metals is lower than 5% except for Mg and platelets adhered on Zn has been activated and pseudopodia-like structures can be observed while platelets on the other four metals keep normal.

关键词： Biodegradable metals Cytotoxicity Corrosion Biocompatibflity

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ABACUS: An Electronic Structure Analysis Package for the AI Era

arXiv

引用

arXiv 2025年

作者： Zhou, Weiqing Zheng, Daye Liu, Qianrui Lu, Denghui Liu, Yu Lin, Peize Huang, Yike Peng, Xingliang Bao, Jie J. Cai, Chun Jin, Zuxin Wu, Jing Zhang, Haochong Jin, Gan Ji, Yuyang Shen, Zhenxiong Liu, Xiaohui Sun, Liang Cao, Yu Sun, Menglin Liu, Jianchuan Chen, Tao Liu, Renxi Li, Yuanbo Han, Haozhi Liang, Xinyuan Bao, Taoni Chen, Nuo Ren, Hongxu Zhang, Xiaoyang Liu, Zhaoqing Fu, Yiwei Liu, Maochang Li, Zhuoyuan Wen, Tongqi Tang, Zechen Xu, Yong Duan, Wenhui Wang, Xiaoyang Gu, Qiangqiang Dai, Fu-Zhi Zheng, Qijing Zhao, Jin Zhang, Yuzhi Ou, Qi Jiang, Hong Liu, Shi Xu, Ben Xu, Shenzhen Ren, Xinguo He, Lixin Zhang, Linfeng Chen, Mohan AI for Science Institute Beijing100080 China HEDPS CAPT School of Physics College of Engineering Peking University Beijing100871 China College of Engineering Peking University Beijing100871 China Institute of Artificial Intelligence Hefei Comprehensive National Science Center Hefei230026 China Key Laboratory of Quantum Information University of Science and Technology of China Hefei230026 China Supercomputing Center University of Science and Technology of China Anhui Hefei230026 China Institute of Physics Chinese Academy of Sciences Beijing100190 China School of Materials Science and Engineering Peking University Beijing100871 China School of Electrical Engineering and Electronic Information Xihua University Chengdu610039 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China College of Chemistry and Molecular Engineering Peking University Beijing100871 China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow Xi’an Jiaotong University Shaanxi Xi’an710049 China Suzhou Academy of Xi’an Jiaotong University Jiangsu Suzhou215123 China Center for Structural Materials Department of Mechanical Engineering The University of Hong Kong Hong Kong The University of Hong Kong Shenzhen China State Key Laboratory of Low Dimensional Quantum Physics Department of Physics Tsinghua University Beijing100084 China Frontier Science Center for Quantum Information Beijing China Saitama Wako351-0198 Japan Institute for Advanced Study Tsinghua University Beijing100084 China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Fenghao East Road 2 Beijing100094 China School of Artificial Intelligence and Data Science University of Science and Technology of China Hefei230026 China School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China Department of Physics University of Science and

ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates the integration of various electronic structure methods, such as Kohn-Sham DFT, stochastic DFT, orbital-free DFT, and real-time time-dependent DFT, etc. In addition, with the aid of high-performance computing, ABACUS is designed to perform efficiently and provide massive amounts of first-principles data for generating general-purpose machine learning potentials, such as DPA models. Furthermore, ABACUS serves as an electronic structure platform that interfaces with several AI-assisted algorithms and packages, such as DeePKS-kit, DeePMD, DP-GEN, DeepH, DeePTB, etc. Copyright © 2025, The Authors. All rights reserved.

关键词： Stochastic systems

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THERMODYNAMIC MODELING OF THE HG-CD-TE AND HG-ZN-TE SYSTEMS

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JOURNAL OF CRYSTAL GROWTH 1988年第1-4期86卷 39-48页

作者： BREBRICK, RF Materials Science and Metallurgy Program College of Engineering Marquette University Milwaukee Wisconsin 53233 USA

The basic thermodynamic equations governing the equilibrium between (A 1- u B u ) 2- y Te y (s) with y near unity and its liquid and vapor phases are summarized. These are used along with an associated solution model for the liquid with species, Hg, Cd, Te, HgTe, and CdTe, to obtain quantitatively good fits to the diverse experimental data. The less extensive data for the Hg-Zn-Te system are also fit and based upon the parameters established, some properties are calculated for which there are no experimental data at present.

关键词： MERCURY AND AMALGAMS

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INTERACTION OF AN EDGE DISLOCATION WITH AN INTERFACIAL CRACK

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JOURNAL OF APPLIED PHYSICS 1992年第6期72卷 2215-2226页

作者： ZHANG, TY LI, JCM Materials Science Program Department of Mechanical Engineering University of Rochester Rochester New York 14627

The stress and displacement fields of an edge dislocation near a semi-infinite or a finite interfacial crack are formulated by using the complex potential theory of Muskhelishvili's elasticity treatment of plane strain problems. The image forces exerted on the dislocation have an oscillatory character (with respect to the dislocation position) if the dislocation is originated elsewhere and moves to the vicinity of a finite interfacial crack. There is no such oscillation of image forces if the edge dislocation is emitted from the finite interfacial crack or if the crack is semi-infinite. The stress intensity factors produced by the edge dislocation also have an oscillatory character for both semi-infinite and finite interfacial cracks. They also depend on whether the dislocation is emitted from the crack or comes from elsewhere.

关键词： SOLIDS FRACTURE MECHANICS EDGE DISLOCATIONS INTERACTIONS CRACKS INTERFACES ELASTICITY

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In vitro Study on Biodegradable AZ31 Magnesium Alloy Fibers Reinforced PLGA Composite

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Journal of materials science & Technology 2013年第6期29卷 545-550页

作者： Y.H.Wu N.Li Y.Cheng Y.F.Zheng Y.Han Center for Biomedical Materials and Tissue Engineering Academy for Advanced Interdisciplinary StudiesPeking University Department of Materials Science and Engineering College of EngineeringPeking University State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University

AZ31 magnesium alloy fibers reinforced poly（lactic-co-glycolic acid）（PLGA） composites were prepared and their mechanical property, immersion corrosion behavior and biocompatibility were studied. The tensile test showed that with the addition of AZ31 fibers, the composites had a significant increment in tensile strength and elongation. For the direct cell attachment test, all the cells showed a healthy morphology and spread well on the experimental sample surfaces. The immersion results indicated that pH values of the immersion medium increased with increasing AZ31 fiber contents. All the in vitro experimental results indicated that this new kind of magnesium alloy fibers reinforced PLGA composites show a potential for future biomedical applications.

关键词： Biomaterials Corrosion Polymeric composites AZ31 magnesium fiber

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CRACK TIP DISLOCATION NUCLEATION OBSERVATIONS IN BULK SPECIMENS

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SCRIPTA METALLURGICA 1986年第11期20卷 1489-1494页

作者： BURNS, SJ Materials Science Program Department of Mechanical Engineering University of Rochester Rochester NY 14627 USA

The results of etch pits studies of the distribution of dislocations in the vicinity of a crack tip in bulk single crystals of LiF are described. The dislocations observed are emitted from the crack tip. The values of... 详细信息

关键词： METALLOGRAPHY

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