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Ab initio thermodynamic and thermophysical properties of sapphirine end-members in the join Mg4Al8Si2O20-Mg3Al10SiO20

Donato Belmonte、G. Ottonello、Marino Vetuschi Zuccolini2014-07-01American Mineralogist

Using the hybrid B3LYP density functional method, we computed the ab initio thermodynamic and thermophysical properties of two sapphirine end-members, Mg 4 Al 8 Si 2 O 20 (sapphirine-442) and Mg 3 Al 10 SiO 20 (sapphirine-351), in the join Mg3(Mg 1-X Al X )Al 8 (Al X Si 1-X )SiO 20 with X = 0-1. Static and vibrational…

High-pressure geophysics and materialsGlass properties and applicationsCrystal Structures and Properties

Integration of ultrafast scanning calorimetry with micro-Raman spectroscopy for investigation of metastable materials

Lai Wei、Jing Jiang、Meijuan Shan 等 7 位作者2014-07-01Review of Scientific Instruments

A stage-type ultrafast scanning calorimetry (ST-UFSC) with controlled heating and cooling rates up to 10(5) K s(-1) was designed to integrate with microstructural characterization. This enables us to precisely control the evolution of fast transitional states of metastable samples provided by the UFSC platform, and to…

Material Dynamics and PropertiesForce Microscopy Techniques and Applicationsthermodynamics and calorimetric analyses

Single-domain magnetic nanoparticles in an alternating magnetic field as mediators of local deformation of the surrounding macromolecules

Yu. I. Golovin、S. L. Gribanovskii、D. Yu. Golovin 等 5 位作者2014-07-01Physics of the Solid State

The forces, deformations, and stresses generated in macromolecules attached to single-domain magnetic nanoparticles under the influence of a low-frequency (nonheating) magnetic field have been analyzed analytically and numerically. It has been shown that, in bioactive macromolecules, an alternating magnetic field with…

Carbon Nanotubes in CompositesMagnetic and Electromagnetic EffectsElectromagnetic Effects on Materials

Inhibition Mechanism of Benzotriazole in Copper Chemical Mechanical Planarization

Jing Li、Xin Lu、Zong Bo Zhang2014-07-01Applied Mechanics and Materials

During the process of chemical mechanical planarization (CMP) of copper, benzotriazole (BTA) is the most commonly used inhibitor in the slurry. Though the corrosion inhibition mechanism has been studied widely, the mechanism of BTA layer on copper surface in CMP slurries should be further investigated. In this paper,…

Advanced Surface Polishing TechniquesCopper Interconnects and ReliabilityNanofabrication and Lithography Techniques

IR spectroscopy study of the radiation-thermal decomposition of water on nanosized zirconium dioxide

А. А. Гарибов、Т. Н. Агаев、Gunel Imanova 等 5 位作者2014-07-01High Energy Chemistry

Radiation-thermal decomposition of water on nanosized ZrO 2 in the temperature range of 300–673 K has been studied by FTIR spectroscopy. It has been revealed by the X-ray diffraction method that the sample used has the centrsymmetric monoclinic crystal structure. It has been shown that nanosized zirconium dioxide adso…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsThermal and Kinetic Analysis

All‐Solution‐Processed, Ambient Method for ITO‐Free, Roll‐Coated Tandem Polymer Solar Cells using Solution‐Processed Metal Films

Dechan Angmo、Henrik F. Dam、Thomas R. Andersen 等 14 位作者2014-07-01Energy Technology

Abstract A solution‐processed silver film is employed in the processing of top‐illuminated indium‐tin‐oxide (ITO)‐free polymer solar cells in single‐ and double‐junction (tandem) structures. The nontransparent silver film fully covers the substrate and serves as the bottom electrode whereas a PEDOT:PSS/Ag grid forms t…

Organic Electronics and PhotovoltaicsThin-Film Transistor TechnologiesConducting polymers and applications

Local instability of a plate with a circular nanohole under uniaxial tension

А. О. Бочкарев、Mikhail A. Grekov2014-07-01Doklady Physics

The problem of the influence of surface tension on the local instability of a plate under tension is investigated by the example of an infinite plate with a circular nanohole. The method for solving the problem under consideration is based on a previously developed approach for solving problems on local buckling of a…

Elasticity and Material ModelingComposite Material MechanicsNonlocal and gradient elasticity in micro/nano structures

UO2 versus MOX: Propagated Nuclear Data Uncertainty for keff, with Burnup

Petter Helgesson、D. Rochman、Henrik Sjöstrand 等 5 位作者2014-07-01Nuclear Science and Engineering

Precise assessment of propagated nuclear data uncertainties in integral reactor quantities is necessary for the development of new reactors as well as for modified use, e.g., when replacing UO2 fuel by mixed-oxide (MOX) fuel in conventional thermal reactors.This paper compares UO2 fuel to two types of MOX fuel with re…

Nuclear reactor physics and engineeringNuclear Materials and PropertiesNuclear Physics and Applications

Vortex beam generation using circular leaky-wave antenna

Amar Al-Bassam、Mohamed A. Salem、Christophe Caloz2014-07-01OpenAlex

Vortex beams, which are electromagnetic beams carrying orbital angular momentum, have a great potential for communication, sensing, imaging and tweezing applications. Unfortunately, the spatial light modulator technology that is used in the optical regime to generate vortex beams is not applicable at radio frequencies…

Metamaterials and Metasurfaces ApplicationsOrbital Angular Momentum in OpticsAdvanced Antenna and Metasurface Technologies

Determining thermo-kinetic constants in order to classify explosivity of foodstuffs

Hossein Beidaghy Dizaji、Farzad Faraji Dizaji、Mehdi Bidabadi2014-07-01Combustion Explosion and Shock Waves

The kinetics of devolatilization of some foodstuff materials like white wheat flour, sugar, and cocoa powders are studied by using thermogravimetric analysis, in order to measure their pyrolysis rate. The mean pyrolysis rate of these materials is used as a criterion to predict their explosivity. A comparison of the me…

Fire dynamics and safety researchCombustion and Detonation ProcessesThermal and Kinetic Analysis

On the morphology of Si/SiO2/Ni nanostructures with swift heavy ion tracks in silicon oxide

S. E. Demyanov、Egor Kaniukov、А.В. Петров 等 12 位作者2014-07-01Journal of Surface Investigation X-ray Synchrotron and Neutron Techniques

Si/SiO 2 /Ni nanostructures are fabricated by the irradiation of an oxidized Si surface with swift heavy ions, nanopore etching in the SiO 2 layer, and the electrochemical deposition of nickel in the nanopores with their partial (∼50%) or complete filling. Studies of the morphology of the metal in the nanopores shows…

Diamond and Carbon-based Materials ResearchNanopore and Nanochannel Transport StudiesIon-surface interactions and analysis

Direct current electrodeposition of Zn and Zn–SiC nanocomposite coatings

Mohammad Sajjadnejad、Hamid Omidvar、Mehran Javanbakht 等 5 位作者2014-07-01Transactions of the IMF

Pure Zn and Zn matrix composite coatings containing nano-sized SiC particles with an average size of 50 nm were prepared from the zinc sulphate bath. The effect of the particle concentration and current density on the amount of particles embedded was examined. Electron microscopic studies revealed that the coating mor…

Corrosion Behavior and InhibitionElectrodeposition and Electroless CoatingsElectrochemical Analysis and Applications

Effective temperature and fluctuation-dissipation theorem in athermal granular systems: A review

Qiong Chen、Meiying Hou2014-07-01Chinese Physics B

The definition and the previous measurements of a dynamics-relevant temperature-like quantity in granular media are reviewed for slow and fast particle systems. Especially, the validity of the fluctuation-dissipation theorem in such an athermal system is explored. Experimental evidences for the fluctuation-dissipation…

Material Dynamics and PropertiesAdvanced Thermodynamics and Statistical MechanicsStatistical Mechanics and Entropy

Mesoporous TiO2 Bragg Stack Templated by Graft Copolymer for Dye-sensitized Solar Cells

Jung Tae Park、Won Seok Chi、Sang Jin Kim 等 5 位作者2014-07-01Scientific Reports

Organized mesoporous TiO₂ Bragg stacks (om-TiO₂ BS) consisting of alternating high and low refractive index organized mesoporous TiO₂ (om-TiO₂) films were prepared to enhance dye loading, light harvesting, electron transport, and electrolyte pore-infiltration in dye-sensitized solar cells (DSSCs). The om-TiO₂ films we…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties

Insight into insulator-to-metal transition of sulfur-doped silicon by DFT calculations

Zong‐Yan Zhao、Pei-Zhi Yang2014-07-01Physical Chemistry Chemical Physics

Using density functional theory calculations, the mechanism of insulator-to-metal transition of S-doped Si has been systematically investigated. The calculated crystal structure indicates that the gentle lattice distortion is caused by sulfur doping, and this doping effect is gradually weakened with the increase of su…

Silicon and Solar Cell TechnologiesSilicon Nanostructures and PhotoluminescenceSemiconductor materials and interfaces

Parylene C-Based Flexible Electronics for pH Monitoring Applications

Tatiana Trantidou、M. Tariq、Cesare M. Terracciano 等 5 位作者2014-07-01Sensors

Emerging materials in the field of implantable sensors should meet the needs for biocompatibility; transparency; flexibility and integrability. In this work; we present an integrated approach for implementing flexible bio-sensors based on thin Parylene C films that serve both as flexible support substrates and as acti…

Conducting polymers and applicationsAnalytical Chemistry and SensorsNeuroscience and Neural Engineering

Performance of an ideal wireless orbital angular momentum communication system using multiple-input multiple-output techniques

Kwasi Adu‐Boahen Opare、Yujun Kuang2014-07-01OpenAlex

A wireless orbital angular momentum (OAM) communication system is modeled using multiple-input multiple-output (MIMO) techniques. The channel matrix is derived using the azimuthal phase profile of the OAM modes. A simulation of an ideal line of sight (LOS) infrastructure, based on the model is also presented. It consi…

Metamaterials and Metasurfaces ApplicationsOrbital Angular Momentum in OpticsAdvanced Antenna and Metasurface Technologies

Corrosion Behavior of Aluminium-Boron Carbide-Graphite Composites

Chinnasamy Muthazhagan、A. Gnanavelbabu、K. Rajkumar 等 4 位作者2014-07-01Applied Mechanics and Materials

The corrosion behaviour of Al (6061)-B4C-Graphite was investigated. The Aluminium Metal Matrix Composites (AMMC) was fabricated through two step stir casting method. The composites were fabricated with various volume percentages of Boron Carbide (5, 10 &15%) and Graphite (5, 10& 15%). Corrosion studies of AMMC was inv…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Cycle Reorganization as Model of Dynamics Change and Development Norm in Every Living and Artificial Beings

Andrey Volkov、Vitaliy Chulkov、Ryben R. Kazaryan 等 4 位作者2014-07-01Applied Mechanics and Materials

Reorganization processes is base of social development. In every field of knowledge necessary have and use adequate models proper process and so its components. Consider base model of cycle reorganization, intercommunications between its components and expediency use procedure «illumination» of cycle.

Construction Management and SustainabilityStructural mechanics and materialsEconomic and Technological Systems Analysis

Low-molecular-weight metabolites of aquatic macrophytes growing on the territory of Russia and their role in hydroecosystems

Е. А. Курашов、J. V. Krylova、G. G. Mitrukova 等 4 位作者2014-07-01Contemporary Problems of Ecology

This article deals with the issues of studying low-molecular-weight volatile organic compounds (VOCs) of aquatic macrophytes growing in Russia under different environmental conditions and geographic regions. It is shown that the composition of VOCs and their content depend on the abiotic (geographical location of habi…

Aquatic Ecosystems and Phytoplankton DynamicsAlgal biology and biofuel productionDiatoms and Algae Research