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Finite-temperature quasicontinuum method for multiscale analysis of silicon nanostructures

Zijian Tang、Huijuan Zhao、G. Li 等 4 位作者2006-08-23Physical Review B

In this paper, we extend the quasicontinuum approach for a multiscale analysis of silicon nanostructures at finite temperature. The quasicontinuum method uses the classical continuum mechanics framework, but the constitutive response of the system is determined by employing an atomistic description. For finite-tempera…

Mechanical and Optical ResonatorsForce Microscopy Techniques and ApplicationsNonlocal and gradient elasticity in micro/nano structures

A Simple Solution Route to Single-Crystalline Sb2O3 Nanowires with Rectangular Cross Sections

Zhengtao Deng、Fangqiong Tang、Dong Chen 等 6 位作者2006-08-23The Journal of Physical Chemistry B

We report a simple solution route to large-scale synthesis of uniform, single-crystalline, and well-faceted orthorhombic antimony trioxide (Sb(2)O(3)) nanowires with rectangular cross sections by direct air oxidation of bulk metal antimony (Sb) in a mixed solution made of ethylenediamine (EDA) and deionized water (DIW…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials

Epoxy resin modified with soybean oil containing cyclic carbonate groups

Paweł G. Parzuchowski、Magdalena Jurczyk‐Kowalska、Joanna Ryszkowska 等 4 位作者2006-08-23Journal of Applied Polymer Science

Abstract Carbonated soybean oil (CSO) containing five‐membered cyclic carbonate groups has been obtained in the reaction of epoxidized soybean oil with carbon dioxide in the presence of KI activated by 18‐crown‐6 under 6 MPa CO 2 pressure at 130°C. The CSO was used for modification of bisphenol‐A based epoxy resin. Th…

Silicone and Siloxane ChemistryCarbon dioxide utilization in catalysisPolymer composites and self-healing

Soybean and castor oil based monomers: Synthesis and copolymerization with styrene

Erde Can、R. P. Wool、Seli̇m H. Küsefoǧlu2006-08-23Journal of Applied Polymer Science

Abstract In this study, castor oil was alcoholyzed with both aliphatic alcohols, such as glycerol and pentaerythritol, and an aromatic alcohol, bisphenol A propoxylate. The resulting alcoholysis products were then malinated and cured in the presence of styrene. Soybean oil pentaerythritol glyceride maleates were also…

Lignin and Wood ChemistryEpoxy Resin Curing ProcessesPolymer composites and self-healing

Relationships between molecular structure and physical properties in bent-core mesogens

W. Weißflog、H. N. Shreenivasa Murthy、Siegmar Diele 等 4 位作者2006-08-23Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

New five-ring bent-core mesogens that possess only ester connecting groups between the aromatic rings and different lateral substituents at the central phenyl ring are presented. The mesophases have been assigned by polarizing microscopy, differential scanning calorimetry, X-ray diffraction and electro-optical measure…

Synthesis and Properties of Aromatic CompoundsLiquid Crystal Research AdvancementsMolecular spectroscopy and chirality

Synthesis of wood‐based epoxy resins and their mechanical and adhesive properties

Hajime Kishi、Akira Fujita、Hikaru Miyazaki 等 5 位作者2006-08-23Journal of Applied Polymer Science

Abstract Wood‐based epoxy resins were synthesized from resorcinol‐liquefied wood. Wood was first liquefied in the presence of resorcinol with or without a sulfuric acid catalyst at high temperature. Because of the hydroxyl groups, the resorcinol‐liquefied wood was considered as a precursor for synthesizing wood‐based…

Lignin and Wood ChemistryNatural Fiber Reinforced CompositesPolymer composites and self-healing

Photoinduced Reversible Formation of Microfibrils on a Photochromic Diarylethene Microcrystalline Surface

Kingo Uchida、Norikazu Izumi、S. Sukata 等 6 位作者2006-08-23Angewandte Chemie International Edition

In a different light: A photoinduced change in surface morphology provides reversible changes in the superhydrophobic properties of a photochromic diarylethene film. The effect is achieved by the reversible formation of fine fibril structures on the coated microcrystalline surface upon irradiation by UV or visible lig…

Photochromic and Fluorescence ChemistryPolydiacetylene-based materials and applicationsSurface Modification and Superhydrophobicity

Mechanical and Dielectric Properties of Pure‐Silica‐Zeolite Low‐k Materials

Zijian Li、Mark Johnson、Minwei Sun 等 13 位作者2006-08-23Angewandte Chemie International Edition

Special k: Pure silica zeolites (PSZs) have been shown experimentally to display a remarkably higher elastic modulus than amorphous porous silicas at any given porosity or dielectric constant (k) value as a result of their crystalline structure. The combined experimental and theoretical findings suggest that PSZs have…

Advanced ceramic materials synthesisCopper Interconnects and ReliabilityMesoporous Materials and Catalysis

Synthesis and properties of magnetite/poly (aniline‐co‐8‐amino‐2‐naphthalenesulfonic acid) (SPAN) nanocomposites

Kakarla Raghava Reddy、Kwang‐Pill Lee、A. Gopalan 等 4 位作者2006-08-23Polymers for Advanced Technologies

Abstract Composites were prepared by incorporating magnetite (Fe 3 O 4 ) nanoparticles into the matrix of a sulfonated polyaniline (SPAN) [poly(aniline‐co‐8‐amino‐2‐naphthalenesulfonic acid) PANSA] through chemical oxidative polymerization of a mixture of aniline and 8‐amino‐2‐naphthalenesulfonic acid in the presence…

Conducting polymers and applicationsAnalytical Chemistry and SensorsAdvanced Sensor and Energy Harvesting Materials

Observation of two-wave structure in strongly nonlinear dissipative granular chains

Alexandre Rosas、Aldo H. Romero、Vitali F. Nesterenko 等 4 位作者2006-08-23arXiv

In a strongly nonlinear viscous granular chain under conditions of loading that exclude stationary waves (e.g., impact by a single grain) we observe a pulse that consists of two interconnected but distinct parts. One is a leading narrow "primary pulse" with properties similar to a solitary wave in a "sonic vacuum." It…

Materials ScienceSoft Condensed Matter

Preparation and characterization of poly(ethylene terephthalate)/clay nanocomposites by melt blending using thermally stable surfactants

Marius C. Costache、Matthew J. Heidecker、Evangelos Manias 等 4 位作者2006-08-23Polymers for Advanced Technologies

Abstract Poly(ethylene terephthalate) (PET)/clay nanocomposites were prepared by melt blending and their morphologies and properties were investigated through X‐ray diffraction, bright field transmission electron microscopy, thermogravimetric analysis and cone calorimetry. Three clays were comparatively studied—montmo…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesPolymer Nanocomposites and Properties

Ferromagnetic Exchange Interactions for Cu612+and Mn612+Hexagons Sandwiched by Two B-α-[XW9O33]9-(X = AsIIIand SbIII) Ligands inD3d-Symmetric Polyoxotungstates

Toshihiro Yamase、Keisuke Fukaya、Hiroyuki Nojiri 等 4 位作者2006-08-23Inorganic Chemistry

Two novel Cu6 and Mn6 hexagon sandwiched polyoxometalates, [(CuCl)6(AsW9O33)2]12- (1a) and [(MnCl)6(SbW9O33)2]12- (2a), have been synthesized and characterized by X-ray single-crystal analysis and magnetic measurements. These complexes are D3d symmetric and were isolated as [n-BuNH3]+ salts from aqueous solutions: (n-…

Metal-Organic Frameworks: Synthesis and ApplicationsNanocluster Synthesis and ApplicationsPolyoxometalates: Synthesis and Applications

γ-Alumina: a single-crystal X-ray diffraction study

Ľubomír Smrčok、Vratislav Langer、Jan Křesťan2006-08-23Acta Crystallographica Section C Crystal Structure Communications

The structure of gamma-alumina (Al21+1/3square2+2/3O32) crystals obtained as a product of a corrosion reaction between beta-sialon and steel was refined in the space group Fd3m. The oxygen sublattice is fully occupied. The refined occupancy parameters are 0.83 (3), 0.818 (13), 0.066 (14) and 0.044 (18) for Al ions in…

Nuclear materials and radiation effectsX-ray Diffraction in CrystallographyAdvanced ceramic materials synthesis

Exactly Solvable Interacting Spin-Ice Vertex Model

Anderson A. Ferreira、Francisco C. Alcaraz2006-08-23arXiv

A special family of solvable five-vertex model is introduced on a square lattice. In addition to the usual nearest neighbor interactions, the vertices defining the model also interact alongone of the diagonals of the lattice. Such family of models includes in a special limit the standard six-vertex model. The exact so…

Materials Sciencecond-mat.stat-mech

Density Functional Theory Study of Ligand Binding on CdSe (0001), (0001), and (1120) Single Crystal Relaxed and Reconstructed Surfaces: Implications for Nanocrystalline Growth

Jane Rempel、Bernhardt L. Trout、Moungi G. Bawendi 等 4 位作者2006-08-23The Journal of Physical Chemistry B

To gain a better understanding of the influence of ligand-surface interactions on nanocrystalline growth, periodic density functional theory calculations were employed in the study of the binding of organic ligands on the relaxed nonpolar (1120) and polar Se terminated (0001) surfaces and the relaxed and vacancy and a…

Quantum Dots Synthesis And PropertiesCopper-based nanomaterials and applicationsChalcogenide Semiconductor Thin Films

Electronic and optical properties of beryllium chalcogenides/silicon heterostructures

Titus Sandu W. P. Kirk2006-08-23arXiv

We have calculated electronic and optical properties of Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures by a semiempirical $sp^{3}s^{*}$ tight-binding method. Tight-binding parameters and band bowing of BeSe$_{0.41}$Te$_{0.59}$ are considered through a recent model for highly mismatched semiconductor alloys. The band bow…

Materials ScienceMesoscale and Nanoscale Physics

Depletion-induced percolation in networks of nanorods

T. Schilling、S. Jungblut、Mark A. Miller2006-08-23arXiv

Above a certain density threshold, suspensions of rod-like colloidal particles form system-spanning networks. Using Monte Carlo simulations, we investigate how the depletion forces caused by spherical particles affect these networks in isotropic suspensions of rods. Although the depletion forces are strongly anisotrop…

Soft Condensed MatterMaterials Science

Spin-orbit interactions and spin-currents from an exact-exchange Kohn-Sham method

Stefan Rohra、Eberhard Engel、Andreas Goerling2006-08-23arXiv

An exact-exchange spin-current Kohn-Sham method to treat non-collinear spin, magnetic effects, currents, spin-currents, and spin-orbit interactions self-consistently on equal footing is introduced. Spin-orbit interactions are shown to induce spin-currents. Results for silicon and germanium are presented.

Materials Science

Self-organized pore formation and open-loop-control in semiconductor etching

Jens Christian Claussen、Jürgen Carstensen、Marc Christophersen 等 5 位作者2006-08-23arXiv

Electrochemical etching of semiconductors, apart from many technical applications, provides an interesting experimental setup for self-organized structure formation capable e.g. of regular, diameter-modulated, and branching pores. The underlying dynamical processes governing current transfer and structure formation ar…

cond-mat.dis-nnMaterials Science