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Discrete crack modelling of ductile fracture driven by non‐local softening plasticity

J. Mediavilla、R.H.J. Peerlings、M.G.D. Geers2006-01-13International Journal for Numerical Methods in Engineering

Abstract A combined approach towards ductile damage and fracture is presented, in the sense that a continuous material degradation is coupled with a discrete crack description for large deformations. Material degradation is modelled by a gradient enhanced damage‐hyperelastoplasticity model. It is assumed that failure…

Microstructure and mechanical propertiesNumerical methods in engineeringMetal Forming Simulation Techniques

Atomic-Scale Structure of Nanocrystalline Ba x Sr 1- x TiO 3 ( x = 1, 0.5, 0) by X-ray Diffraction and the Atomic Pair Distribution Function Technique

Valeri Petkov、Milen Gateshki、Markus Niederberger 等 4 位作者2006-01-13Chemistry of Materials

The atomic-scale structure of nanocrystalline Ba x Sr 1 - x TiO 3 ( x = 1, 0.5, 0) powders has been studied using high-energy X-ray diffraction, Rietveld refinement, and the atomic pair distribution function technique. The studies show that the materials are well-ordered at nanometer length distances. The three-dimens…

Ferroelectric and Piezoelectric MaterialsHigh-pressure geophysics and materialsX-ray Diffraction in Crystallography

Effect of ZnO and CuO on the Sintering Temperature and Piezoelectric Properties of a Hard Piezoelectric Ceramic

Cheol‐Woo Ahn、Hyun‐Cheol Song、Sahn Nahm 等 8 位作者2006-01-13Journal of the American Ceramic Society

Hard piezoelectrics with high dielectric and piezoelectric constants are used for high‐power applications. However, the sintering temperature of these ceramics is high, around 1200°C, restricting the usage of cheap base metal electrodes in fabrication of multi‐layer components. This study investigates the effect of Cu…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesDielectric materials and actuators

Recombination Dynamics of CdTe/CdS Core−Shell Nanocrystals

O. Schöps、Nicolas Le Thomas、U. Woggon 等 4 位作者2006-01-13The Journal of Physical Chemistry B

The recombination dynamics of zinc-blende-type, deep-red emitting CdTe/CdS core-shell nanocrystals is studied over a wide temperature range. Two characteristic decay regimes are found: a temperature-dependent decay component of a few nanoseconds and a long-living temperature-independent component of approximately 315…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Microsphere Organization of Nanorods Directed by PEG Linear Polymer

Xingfu Zhou、Shuyi Chen、Danyu Zhang 等 6 位作者2006-01-13Langmuir

We demonstrate the sphere organization of ZnO, Bi2S3, MnO2, and La(OH)3 nanorods directed by PEG linear polymer. Our study shows that zinc, bismuth, manganese, or lanthanum species added to PEG solutions, in which PEG molecules are well dissolved in a coil state, convert the polymer coils to aggregate structures, whic…

Polymer Surface Interaction StudiesMicro and Nano RoboticsPickering emulsions and particle stabilization

An Investigation of Gold Adsorption from a Binary Mixture with Selective Mesoporous Silica Adsorbents

Koon Fung Lam、King Lun Yeung、Gordon McKay2006-01-13The Journal of Physical Chemistry B

Gold-selective adsorbents were prepared from mesoporous MCM-41 silica by grafting organic amine groups (i.e., RNH2, R2NH, and R3N; R=propyl). NH2-MCM-41, NRH-MCM-41, and NR2-MCM-41 displayed strong affinity for gold and at 1 mmol/g loading adsorbed 0.40, 0.33, and 0.20 mmol/g of gold. Copper and nickel were not adsorb…

Supercapacitor Materials and FabricationCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis

Effective Controlled Release of Captopril by Silylation of Mesoporous MCM‐41

Fengyu Qu、Guangshan Zhu、Shiying Huang 等 5 位作者2006-01-13ChemPhysChem

The release of the water-soluble drug Captopril is controlled by tailoring the surface properties of mesoporous silica via stepwise silylation. The degree of silylation is manipulated by adjusting the initial concentration of silylanizing reagent (trimethylchlorosilane, TMCS). The silylanized and drug-loaded samples a…

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

Particle Size Comparison of Soft‐Chemically Prepared Transition Metal (Co, Ni, Cu, Zn) Aluminate Spinels

Debasis Dhak、Panchanan Pramanik2006-01-13Journal of the American Ceramic Society

Nanocrystalline MAl 2 O 4 (M=Co, Ni, Cu, Zn) spinel powders are synthesized by pyrolysis of complex compounds of aluminum and transition metal (cobalt, nickel, copper, and zinc) with triethanolamine (TEA). The precursor materials are formed on complete dehydration of the soluble complexes of aluminum–TEA and transitio…

Advanced ceramic materials synthesisLayered Double Hydroxides Synthesis and ApplicationsNanomaterials for catalytic reactions

Comparative Examination of the Stability of Semiconductor Quantum Dots in Various Biochemical Buffers

Klaus Boldt、Oliver T. Bruns†、Nikolai Gaponik 等 4 位作者2006-01-13The Journal of Physical Chemistry B

Due to their greater photostability compared to established organic fluorescence markers, semiconductor quantum dots provide an attractive alternative for the biolabeling of living cells. On the basis of a comparative investigation using differently sized thiol-stabilized CdTe nanocrystals in a variety of commonly use…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

O(N)LDA+Uelectronic structure calculation method based on the nonorthogonal pseudoatomic orbital basis

Myung Joon Han、Taisuke Ozaki、Jaejun Yu2006-01-13Physical Review B

We report an implementation of the $\mathrm{LDA}+U$ method based on the state-of-the-art linear combination of pseudo-atomic orbital (LCPAO) method, which is suitable for large-scale $\mathrm{O}(N)$ electronic structure calculations based on the density functional theory. By introducing a dual representation of the oc…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Quantum kinetic theory of phonon-assisted carrier transitions in nitride-based quantum-dot systems

J. Seebeck、T. R. Nielsen、P. Gartner 等 4 位作者2006-01-13arXiv

A microscopic theory for the interaction of carriers with LO phonons is used to study the ultrafast carrier dynamics in nitride-based semiconductor quantum dots. It is shown that the efficiency of scattering processes is directly linked to quasi-particle renormalizations. The electronic states of the interacting syste…

Mesoscale and Nanoscale PhysicsMaterials Science

Spin tunneling through an indirect barrier

Titus Sandu、Athanasios Chantis、Radu Iftimie2006-01-13arXiv

Spin-dependent tunneling through an indirect bandgap barrier like the GaAs/AlAs/GaAs heterostructure along [001] direction is studied by the tight-binding method. The tunneling is characterized by the proportionality of the Dresselhaus Hamiltonians at $Γ$ and $X$ points in the barrier and by Fano resonances. The prese…

Materials Science

Aerosol Assisted Chemical Vapor Deposition Using Nanoparticle Precursors: A Route to Nanocomposite Thin Films

Robert G. Palgrave、Ivan P. Parkin2006-01-13Journal of the American Chemical Society

Gold nanoparticle and gold/semiconductor nanocomposite thin films have been deposited using aerosol assisted chemical vapor deposition (CVD). A preformed gold colloid in toluene was used as a precursor to deposit gold films onto silica glass. These nanoparticle films showed the characteristic plasmon absorption of Au…

Catalytic Processes in Materials Sciencenanoparticles nucleation surface interactionsElectrohydrodynamics and Fluid Dynamics

High-Density Assembly of Gold Nanoparticles on Multiwalled Carbon Nanotubes Using 1-Pyrenemethylamine as Interlinker

Yen-Yu Ou、Michael H. Huang2006-01-13The Journal of Physical Chemistry B

In this article, we describe the formation of carbon nanotube (CNT)-gold nanoparticle composites in aqueous solution using 1-pyrenemethylamine (Py-CH2NH2) as the interlinker. The alkylamine substituent of 1-pyrenemethylamine binds to a gold nanoparticle, while the pyrene chromophore is noncovalently attached to the si…

Carbon Nanotubes in CompositesGraphene and Nanomaterials ApplicationsNanotechnology research and applications

Conductance oscillations in zigzag platinum chains

V. M. Garcia-Suarez、A. R. Rocha、S. W. Bailey 等 6 位作者2006-01-13arXiv

Using first principles simulations we perform a detailed study of the structural, electronic and transport properties of monoatomic platinum chains, sandwiched between platinum electrodes. First we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as t…

Materials Science

Gamma radiation exposure of MCT diode arrays

F. F. Sizov、I. O. Lysiuk、J. V. Gumenjuk-Sichevska 等 5 位作者2006-01-13arXiv

Investigations of electrical properties of long-wavelength infrared (LWIR) mercury cadmium telluride (MCT) arrays exposed to gamma-radiation have been performed. Resistance-area product characteristics of LWIR n{+}-p photodiodes have been investigated using microprobe technique at T=78 K before and after an exposure t…

Materials Sciencecond-mat.other

Effect of Structure and Thermodynamic Stability on the Response of Lanthanide Stannate Pyrochlores to Ion Beam Irradiation

J. Lian、K.B. Helean、Brendan J. Kennedy 等 6 位作者2006-01-13The Journal of Physical Chemistry B

The lanthanide stannates, Ln2Sn2O7, Ln=La-Lu and Y, have the isometric pyrochlore structure, A2B2O7, and their structural properties have been refined by Rietveld analysis of powder neutron and synchrotron X-ray diffraction data. In this study, the enthalpies of formation of selected stannate pyrochlores, Ln=La, Nd, S…

Nuclear Materials and PropertiesAdvanced Condensed Matter PhysicsNuclear materials and radiation effects

pH‐Sensitive Dispersion and Debundling of Single‐Walled Carbon Nanotubes: Lysozyme as a Tool

Dhriti Nepal、Kurt E. Geckeler2006-01-13Small

Highly dispersed and debundled carbon nanotubes were prepared in an aqueous solution of lysozyme using a combination of ultrasonication and ultracentrifugation. The product is a pH-sensitive dispersion, which remains in a highly dispersed state at pH<8 and pH>11, but in an aggregated state at pH 8-11. Photoluminescenc…

Carbon Nanotubes in CompositesNanopore and Nanochannel Transport StudiesIon-surface interactions and analysis

Controlling Wettability and Photochromism in a Dual‐Responsive Tungsten Oxide Film

Shutao Wang、Xinjian Feng、Jiannian Yao 等 4 位作者2006-01-13Angewandte Chemie International Edition

A wet and dry paper! Tungsten oxide films prepared by a facile electrochemical deposition process provide the first example of a dual surface functionality. The reversible switch of wettability between superhydrophobicity and superhydrophilicity is realized by alternating irradiation with UV light and storage in the d…

ZnO doping and propertiesSurface Modification and SuperhydrophobicityTransition Metal Oxide Nanomaterials

Thermoelectric Properties of Indium-Filled Skutterudites

Tao He、Jiazhong Chen、H. David Rosenfeld 等 4 位作者2006-01-13Chemistry of Materials

Structural, electrical, and thermal transport properties of CoSb 3 partially filled with indium are reported. Polycrystalline samples of In x Co 4 Sb 12 (0 ≤ x ≤ 0.3) were prepared by solid-state reaction under a gas mixture of 5% H 2 and 95% Ar. The solubility limit of the indium filling voids in CoSb 3 was found to…

Advanced Thermoelectric Materials and DevicesThermal properties of materialsPhase-change materials and chalcogenides