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Electronic and optical properties of α, γ, and β phases of MgH2: A first-principles GW investigation

C. Moysés Araújo、Sébastien Lebègue∥、Olle Eriksson 等 6 位作者2005-11-01Journal of Applied Physics

The electronic structure of α, γ, and β phases of MgH2 is studied using the state of the art all-electron projector-augmented-wave GW approximation. Both the ground-state and the high-pressure transformations are considered in this investigation. We have found an indirect (direct) band gap of 5.58eV (6.52eV) for α-MgH…

Hydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysSpacecraft and Cryogenic Technologies

Conductivity Decrease in Carbon Nanotubes Caused by Low-Acceleration-Voltage Electron Irradiation

Satoru Suzuki、Yoshihiro Kobayashi2005-11-01Japanese Journal of Applied Physics

Effects of low-acceleration-voltage (20 kV) electron irradiation damage in single-walled carbon nanotubes (SWNTs) were studied by in-situ electric measurements. The irradiation drastically decreased the conductivity for both metallic and semiconducting nanotubes due to the irradiation-induced damage. Intensive electro…

Carbon Nanotubes in CompositesRadiation Effects in ElectronicsIon-surface interactions and analysis

Mechanical characteristics and its annealing effect of diamondlike-carbon nanosprings fabricated by focused-ion-beam chemical vapor deposition

Ken-ichiro Nakamatsu、Masao Nagase、Jun-ya Igaki 等 5 位作者2005-11-01Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena

Our investigation of diamondlike-carbon (DLC) nanosprings with a 130-nm spring section diameter, which were fabricated by focused-ion-beam chemical vapor deposition (FIB-CVD), showed for the first time that nanosprings can be stretched. We observed large displacements of the FIB-CVD nanosprings in situ optical microsc…

Diamond and Carbon-based Materials ResearchForce Microscopy Techniques and ApplicationsAdvanced Surface Polishing Techniques

Flow-Induced Alignment of Block Copolymer−Sol Nanoparticle Coassemblies toward Oriented Bulk Polymer−Silica Hybrids

Anurag Jain、Lisa M. Hall、Carlos B. W. Garcia 等 5 位作者2005-11-01Macromolecules

Macroscopically oriented bulk organic−inorganic hybrid materials were cast from solutions subjected to hydrodynamic flow by utilizing a simple flow device. The hybrids were prepared from an amphiphilic diblock copolymer, poly(isoprene- block -ethylene oxide) (PI- b -PEO), used as a structure directing agent for organi…

Polymer Nanocomposites and PropertiesMesoporous Materials and CatalysisBlock Copolymer Self-Assembly

Monolithically integrated circular polarizers with two-layer nano-gratings fabricated by imprint lithography

Jian Jim Wang、Feng Liu、Xuegong Deng 等 7 位作者2005-11-01Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena

We developed an integrated circular polarizer based on stacking an aluminum nano-wire grid polarizer with a dielectric nano-grating-based quarter waveplate. The polarizer consists of 65 nm wide and 130 nm tall aluminum wires with a period of 148 nm. For integration, the aluminum nanowires were buried into a silicon di…

Metal and Thin Film MechanicsOptical Coatings and GratingsNanofabrication and Lithography Techniques

Fabric Surface Roughness Evaluation Using Wavelet-Fractal Method

Soo Chang Kim、Tae Jin Kang2005-11-01Textile Research Journal

An objective and reliable evaluation method of fabric pilling using a three-dimensional scanning system with higher accuracy is presented. The overall fabric surface roughness together with the pilling characteristics were evaluated to comprehensively understand the fabric pilling phenomena and exactly grade the degre…

Textile materials and evaluationsIndustrial Vision Systems and Defect DetectionSurface Roughness and Optical Measurements

Synthesis and Characterization of Modified Chitosan Through Immobilization of Complexing Agents

Karin Cristiane Justi、Valfredo T. Fávere、Mauro C. M. Laranjeira 等 5 位作者2005-11-01Macromolecular Symposia

Abstract Summary: The complexation agents 2[‐bis‐(pyridylmethyl)aminomethyl]‐4‐methyl‐6‐formyl‐phenol (BPMAMFF) and 2‐[2‐(hydroxybenzyl)‐2‐(pyridylmethyl)aminomethyl]‐4‐methyl‐6‐formyl‐phenol (HBPAMFF) were immobilized on chitosan biopolymer in order to obtain new adsorbent materials for metal ions. The chitosan deriv…

Nanocomposite Films for Food PackagingConducting polymers and applicationsPolymer Surface Interaction Studies

Elasticity of high coupling relaxor-ferroelectric lead zinc niobate-lead titanate crystals

Ahmed Amin、L. E. Cross2005-11-01Journal of Applied Physics

The elastic response of a [001]-oriented and -poled ferroelectric rhombohedral lead zinc niobate-lead titanate single crystal close to the morphotropic phase region is examined under thermal, electrical, and mechanical boundaries similar to those used in sound projectors. Resonance measurements yielded a monotonically…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesDielectric materials and actuators

Synthesis, Crystal Structure, and Magnetic Properties of a Three-Dimensional Cyano-Bridged Bimetallic Coordination Polymer with an Aromatic Amine Capping Ligand: [Cu(2,2‘-dpa)]3[Cr(CN)6]2·3H2O (2,2‘-dpa = 2,2‘-Dipicolylamine)

Cai‐Ming Liu、Song Gao、Hui‐Zhong Kou 等 6 位作者2005-11-01Crystal Growth & Design

A three-dimensional (3D) Cu(II)-containing Prussian Blue analogue with two types of [Cr(CN) 6 ] 3- units, [Cu(2,2‘-dpa)] 3 [Cr(CN) 6 ] 2 ·3H 2 O (2,2‘-dpa = 2,2‘-dipicolylamine), was synthesized and characterized. One type of [Cr(CN) 6 ] 3- unit in this complex coordinates to six copper(II) atoms to form the heptanucl…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

A simple predicting method for magnetic losses of electrical steel sheets under arbitrary induction waveform

Shunji Yanase、H. Kimata、Yasushi Okazaki 等 4 位作者2005-11-01IEEE Transactions on Magnetics

This paper proposes a simple method for predicting the magnetic losses of electrical steel sheets. By using this method, the losses under arbitrary induction waveform with or without minor loops from the loss data only under sinusoidal excitation can be estimated.

Electric Motor Design and AnalysisMagnetic Properties and ApplicationsNon-Destructive Testing Techniques

Aromatic Core-Modified Twisted Heptaphyrins[1.1.1.1.1.1.0]: Syntheses and Structural Characterization

Harapriya Rath、Jeyaraman Sankar、V. Prabhuraja 等 5 位作者2005-11-01Organic Letters

[reaction: see text] First examples of aromatic core-modified twisted heptapyrrolic systems with six meso links have been obtained via a general [3 + 4] acid-catalyzed condensation method. Despite the twisted conformation, these heptaphyrins exhibit aromaticity in solution, unlike most of the all-aza analogues.

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsSurface Chemistry and Catalysis

Oligomeric Structure of Nitrilases: Effect of Mutating Interfacial Residues on Activity

B.T. Sewell、R.N. Thuku、Xiangwu Zhang 等 4 位作者2005-11-01Annals of the New York Academy of Sciences

Nitrilases are important industrial enzymes that convert nitriles into their corresponding acids or, occasionally, amides. Atomic resolution structures of four members of the nitrilase superfamily have been determined, but these differ from microbial nitrilases in that they do not form typical large homo-oligomeric co…

Genomics and Phylogenetic StudiesEnzyme Structure and FunctionEnzyme Production and Characterization

Rational engineering of a fluorescein-binding anticalin for improved ligand affinity

Sven Vopel、Hermine Mühlbach、Arne Skerra2005-11-01Biological Chemistry

The anticalin FluA is an artificial lipocalin with novelspecificity for the fluorescein group, which was engineered from an insect bilin-binding protein by targeted random mutagenesis and selection. Based on the crystal structure of FluA, an attempt was made to improve the complementarity of its ligand pocket to fluor…

Protein Structure and DynamicsBacterial Genetics and BiotechnologyEnzyme Structure and Function

Mechanical Actuation by Responsive Polyelectrolyte Brushes and Triblock Gels

Anthony J. Ryan、Colin J. Crook、Jonathan R. Howse 等 9 位作者2005-11-01Journal of Macromolecular Science Part B

Progress in the development of actuating molecular devices based on responsive polymers is reviewed. The synthesis and characterization of “grafted from” brushes and triblock copolymers is reported. The responsive nature of polyelectrolyte brushes, grown by surface initiated atomic transfer radical polymerization (ATR…

Hydrogels: synthesis, properties, applicationsPolymer Surface Interaction StudiesMolecular Junctions and Nanostructures

Novel Thermosensitive 5-Fluorouracil−Cyclotriphosphazene Conjugates: Synthesis, Thermosensitivity, Degradability, and in Vitro Antitumor Activity

Yong Woo Cho、Jeong-Ryel Lee、Soo‐Chang Song2005-11-01Bioconjugate Chemistry

A novel thermosensitive macromolecular prodrug of 5-fluorouracil (5-FU) was synthesized using cyclotriphosphazene, and its thermosensitivity, degradability, and in vitro antitumor activity were studied. A series of alpha-substituted glycine derivatives of 5-FU containing carboxylic groups were prepared, and cyclotriph…

biodegradable polymer synthesis and propertiesFlame retardant materials and propertiesSynthesis and properties of polymers

First-principles study of the effect of lattice vibrations on Cu nucleation free energy in Fe-Cu alloys

Koretaka Yuge、Atsuto Seko、Isao Tanaka 等 4 位作者2005-11-01Physical Review B

The effects of lattice vibration on Cu nucleation in Fe-Cu alloys have been investigated by a first-principles technique. We find that the vibrational effect is comparable $(\ensuremath{\sim}36%)$ to the configurational entropy. Lattice vibration increases the activation barrier of Cu precipitates by 0.53 eV, where th…

Microstructure and mechanical propertiesForce Microscopy Techniques and ApplicationsMagnetic Properties and Applications

Encapsulation of silver nanoparticles within double‐cylinder‐type copolymer brushes as templates

Koji Ishizu、Hirokazu Kakinuma、Koichiro Ochi 等 5 位作者2005-11-01Polymers for Advanced Technologies

Abstract An encapsulation of silver nanoparticles has been developed based on a template technique. Amphiphilic double‐cylinder‐type copolymer brushes were employed as a single molecule template, utilizing the coordination of Ag + ions with carboxylate groups in the core of the brush. Subsequently, silver nanoparticle…

Nanoparticle-Based Drug DeliveryPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Fundamental Study of CBA-blown Bubble Growth and Collapse Under Atmospheric Pressure

Donglai Xu、Remon Pop‐Iliev、Chul B. Park 等 4 位作者2005-11-01Journal of Cellular Plastics

This article focuses on gaining a fundamental understanding of the bubble growth and collapse phenomena in a chemical blowing agent (CBA)based foaming process under atmospheric pressure. The behavior of CBA-blown bubbles exposed to various processing conditions is observed using a hot-stage optical microscope-based im…

Enhanced Oil Recovery TechniquesMinerals Flotation and Separation TechniquesPickering emulsions and particle stabilization

Improvement of the thermal stability of cluster‐crosslinked polystyrene and poly(methyl methacrylate) by optimization of the polymerization conditions

Yu Gao、Franz René Kogler、Ulrich Schubert2005-11-01Journal of Polymer Science Part A Polymer Chemistry

Abstract The polymerization conditions for polystyrene and poly(methyl methacrylate) crosslinked by 0.5 mol % of the cluster Zr 6 O 4 (OH) 4 (methacrylate) 12 were optimized by applying a step polymerization procedure. The onset of thermal decomposition was thus increased up to about 50° for polystyrene and about 110°…

Polyoxometalates: Synthesis and ApplicationsSilicone and Siloxane ChemistryChemical Synthesis and Characterization

Physical properties and inversion of conductivity type in nanocrystalline PbTe films

Z. Dashevsky、Ronen Kreizman、M.P. Dariel2005-11-01Journal of Applied Physics

This work is concerned with the effect of the nanostructure on the electrical conductivity of n-type In-doped PbTe thin films. Nanostructured thin films were prepared by varying the rate of nucleation as a function of the nature and temperature of the substrates. On low-temperature substrates, the increased rate of nu…

Quantum Dots Synthesis And PropertiesAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films