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Shell model potential for PbTiO3and its applicability to surfaces and domain walls

Takahiro Shimada、Kazuhito WAKAHARA、Yoshitaka Umeno 等 4 位作者2008-07-18Journal of Physics Condensed Matter

We have developed an efficient interatomic potential for PbTiO 3 in the framework of the shell model by fitting its parameters to reproduce both the mechanical and ferroelectric properties derived from ab initio density functional theory calculations. The optimized potential successfully yields the crystal structures,…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsElectronic and Structural Properties of Oxides

Ergodicity and slowing down in glass-forming systems with soft potentials: No finite-temperature singularities

Jean‐Pierre Eckmann、Itamar Procaccia2008-07-18Physical Review E

The aim of this paper is to discuss some basic notions regarding generic glass-forming systems composed of particles interacting via soft potentials. Excluding explicitly hard-core interaction, we discuss the so-called glass transition in which a supercooled amorphous state is formed, accompanied by a spectacular slow…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Multicritical End Point of the First-Order Ferromagnetic Transition in Colossal Magnetoresistive Manganites

László Demkó、I. Kézsmárki、G. Mihály 等 6 位作者2008-07-18Physical Review Letters

We have studied the bandwidth-temperature-magnetic-field phase diagram of RE0.55Sr0.45MnO3 colossal magnetoresistance manganites with ferromagnetic metal (FM) ground state. The bandwidth was controlled both via chemical substitution and hydrostatic pressure with a focus on the vicinity of the critical pressure p;{*} w…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsAdvanced Condensed Matter Physics

Modifying the anti-wetting property of butterfly wings and water strider legs by atomic layer deposition coating: surface materials versus geometry

Yong Ding、Xiaoya Liu、Yue Zhang 等 8 位作者2008-07-18Nanotechnology

Although butterfly wings and water strider legs have an anti-wetting property, their working conditions are quite different. Water striders, for example, live in a wet environment and their legs need to support their weight and bear the high pressure during motion. In this work, we have focused on the importance of th…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferAdhesion, Friction, and Surface Interactions

Structure and ferroelectric properties of [C3N2H5]5[Bi2Br11]

A Piecha、Agata Białońska、R. Jakubas2008-07-18Journal of Physics Condensed Matter

A ferroelectric crystal [C 3 N 2 H 5 ] 5 [Bi 2 Br 11 ] has been synthesized and structurally characterized at 170 and 100 K. The crystal structure consists of discrete corner-sharing bioctahedra [Bi 2 Br 11 ] 5− and highly disordered imidazolium cations. The room temperature crystal structure has been determined as mo…

Perovskite Materials and ApplicationsCrystal Structures and PropertiesSolid-state spectroscopy and crystallography

Critical phenomena at the 140 and 200 K magnetic phase transitions in BiFeO3

J. F. Scott、Manoj K. Singh、R. S. Katiyar2008-07-18Journal of Physics Condensed Matter

We have measured the magnon Raman cross-sections for bismuth ferrite as a function of temperature near the newly discovered magnetic phase transitions near T 2 = 140.3 ± 0.2 K and T 1 = 201.0 ± 0.8 K (Singh et al 2008 J. Phys.: Condens. Matter 20 252203) and evaluate the critical exponents (α = 0.05 and α' = 0.09) cha…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMagnetic Properties and Applications

Epoxy-Clay Nanocomposites and Hybrids: Synthesis and Characterization

R. Velmurugan、T. P. Mohan2008-07-18Journal of Reinforced Plastics and Composites

This paper deals with the effect of clay addition on improving the mechanical properties of epoxy polymer and glass fiber-reinforced epoxy-clay hybrid composites. The clays used in the present system were alkyl ammonium treated montmorillonite (MMT) based organoclay (OC) and unmodified MMT clay (UC). The OC and UC wer…

Polymer Nanocomposites and PropertiesEpoxy Resin Curing ProcessesSilicone and Siloxane Chemistry

Electron transport in a ferromagnet-superconductor junction on graphene

Yasuhiro Asano、Toshihiro Yoshida、Yukio Tanaka 等 4 位作者2008-07-18Physical Review B

In a usual ferromagnet connected with a superconductor, the exchange potential suppresses the superconducting pairing correlation. We show that this common knowledge does not hold in a ferromagnet-superconductor junction on a graphene. When the chemical potential of a graphene is close to the conical point of energy d…

Advancements in Battery MaterialsGraphene research and applicationsQuantum and electron transport phenomena

Chemistry and Physical Properties of Melt-Processed and Solution-Cross-Linked Corn Zein

David J. Sessa、Abdellatif A. Mohamed、Jeffrey A. Byars2008-07-18Journal of Agricultural and Food Chemistry

Corn zein was cross-linked with glutaraldehyde (GDA) using glacial acetic acid (HAc) as catalyst. The objectives are to evaluate the swelling characteristics of GDA cross-linked zein gels in water, ethanol, and their combinations. Similar formulations, upon solvent evaporation, form films. The mechanical properties of…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical ApplicationsPolymer-Based Agricultural Enhancements

Association of Gadolinium Based Magnetic Resonance Imaging Contrast Agents and Nephrogenic Systemic Fibrosis

Gautam Bhave、Julia B. Lewis、Sam S. Chang2008-07-18The Journal of Urology

PURPOSE: We investigated the recently discovered association between gadolinium based magnetic resonance imaging contrast agents and the development of nephrogenic systemic fibrosis in patients with chronic kidney disease or acute kidney injury. MATERIALS AND METHODS: A systematic review of the PubMed database and pub…

Acute Kidney Injury ResearchLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Optical characterization of wiregrid micropolarizers designed for infrared imaging polarimetry

Zhi Wu、Peter Powers、Andrew Sarangan 等 4 位作者2008-07-18Optics Letters

We report the optical characterization of a metal wiregrid micropolarizer array for IR imaging polarimetry. The micropolarizers are designed for operation in the 1.5-5.0 microm band with a specially designed thin SiO(2) layer between the silicon substrate and the wiregrids to improve the performance at the shorter wav…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Photothermal properties of gold nanoparticles under exposure to high optical energies

E. Hleb、Dmitry Lapotko2008-07-18Nanotechnology

Photothermal (PT) efficacy and damage thresholds of gold nanoparticles (NP)-spheres, rods and silica-gold shells-were experimentally studied during their excitation with nanosecond laser pulses at the fluence levels at and above the NP damage threshold. The maxima of PT efficacy of gold NPs with near-infrared (NIR) pl…

Gold and Silver Nanoparticles Synthesis and ApplicationsLaser-Ablation Synthesis of NanoparticlesOcular and Laser Science Research

Modeling Self-Assembly Processes Driven by Nonbonded Interactions in Soft Materials

Martin McCullagh、Tatiana R. Prytkova、Stefano Tonzani 等 5 位作者2008-07-18The Journal of Physical Chemistry B

This Centennial Feature Article provides an overview of research in the general area of self-assembly modeling, with particular emphasis on the self-assembly of molecules into soft nanoscale structures where the driving force for assembly is provided by nonbonded interactions (hydrogen bonds and electrostatics). The m…

DNA and Nucleic Acid ChemistryRNA Interference and Gene DeliverySupramolecular Self-Assembly in Materials

Nature of the Structural Transformations inB2O3Glass under High Pressure

V. V. Brazhkin、Yoshiaki Katayama、Kostya Trachenko 等 10 位作者2008-07-18Physical Review Letters

We study high-pressure polyamorphism of B2O3 glass using x-ray diffraction up to 10 GPa in the 300-700 K temperature range, in situ volumetric measurements up to 9 GPa, and first-principles simulations. Under pressure, glass undergoes two-stage transformations including a gradual increase of the first B-O (O-B) coordi…

High-pressure geophysics and materialsMaterial Dynamics and PropertiesGlass properties and applications

A versatile synthesis of highly bactericidal Myramistin® stabilized silver nanoparticles

Grigory Vertelov、Yu. A. Krutyakov、Olga V. Efremenkova 等 5 位作者2008-07-18Nanotechnology

Silver nanoparticles stabilized by a well-known antibacterial surfactant benzyldimethyl[3-(myristoylamino)propyl]ammonium chloride (Myramistin(®)) were produced for the first time by borohydride reduction of silver chloride sol in water. Stable aqueous dispersions of silver nanoparticles without evident precipitation…

Nanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsGraphene and Nanomaterials Applications

Covalently Linked Dimers of Clusters: Loop‐ and Dumbbell‐Shaped Mn24 and Mn26 Single‐Molecule Magnets

Theocharis C. Stamatatos、Khalil A. Abboud、Wolfgang Wernsdorfer 等 4 位作者2008-07-18Angewandte Chemie International Edition

Double impact: The use of both azide and di-2-pyridylketone-derived ligands has provided new Mn24 (left) and Mn26 complexes (right) with loop and dumbbell structures that are made up of two covalently linked Mn12 and Mn13 units, respectively. Both complexes are single-molecule magnets, and the Mn26 complex displays th…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesInorganic Chemistry and Materials

Microwells with Patterned Proteins by a Self‐Assembly Process Using Honeycomb‐Structured Porous Films

EunHee Min、Kok Hou Wong、Martina H. Stenzel2008-07-18Advanced Materials

Reactive honeycomb-structured porous films are obtained using amphiphilic block copolymer microwells. This one-step process leads to high functionality inside the pores suitable for the attachement of proteins. As a result, a regular streptavidin array is created by using simple breath figure methology (see figure).

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

Luminescent and Raman Active Silver Nanoparticles with Polycrystalline Structure

Jie Zheng、Yong Ding、Bozhi Tian 等 5 位作者2008-07-18Journal of the American Chemical Society

We report the synthesis of silver nanoparticles with grain sizes down to electron Fermi wavelength. These nanoparticles exhibit bright luminescence and large Raman enhancement effect. The number of photons emitted from these nanoparticles exceeded that from quantum dots or dye molecules by approximately 2 or 5 orders…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

3D Framework Containing Cu4Br4 Cubane as Connecting Node with Strong Ferroelectricity

Wen Zhang、Ren‐Gen Xiong、Songping D. Huang2008-07-18Journal of the American Chemical Society

The methanolothermal reaction of (S)-1,4-diallyl-2-methylpiperazine (DAMP) with an excess CuBr affords a novel homochiral 3D framework (DAMP)3(Cu4Br4)2(H2O)3 (1) in which Cu4Br4 cubane acts as a connecting node to mimic the pure inorganic role in the ferroelectricity to enhance the remnant polarization value which is…

Metal-Organic Frameworks: Synthesis and ApplicationsMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

A contact detection algorithm for superellipsoids based on the common‐normal concept

Christian Wellmann、Claudia Lillie、Peter Wriggers2008-07-18Engineering Computations

Purpose The paper aims to introduce an efficient contact detection algorithm for smooth convex particles. Design/methodology/approach The contact points of adjacent particles are defined according to the common‐normal concept. The problem of contact detection is formulated as 2D unconstrained optimization problem that…

Orbital Angular Momentum in OpticsPolymer Surface Interaction StudiesAdhesion, Friction, and Surface Interactions