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Development of a New Force Field for Property Prediction of Cyclo-Olefin Copolymers

Jussi Katajisto、Mikko Linnolahti、Matti Haukka 等 4 位作者2004-01-23The Journal of Physical Chemistry B

The applicability of the Dreiding 2.21 and PCFF force fields to the prediction of properties of cyclo-olefin copolymers was evaluated. The initial performance of the force fields was only modest, and reoptimization of the force field parameters was required. The reoptimization was performed for the Dreiding 2.21 force…

Organometallic Complex Synthesis and CatalysisPolymer crystallization and propertiesSynthetic Organic Chemistry Methods

Silver-tetracyanoquinodimethane (Ag-TCNQ) nanostructures and nanodevice

Zhiyong Fan、Dawei Wang、Jia Grace Lu 等 7 位作者2004-01-23OpenAlex

Ag-TCNQ nanostructures are synthesized by using both solution reaction in acetonitrile and a novel vacuum vapor reaction method. Experiments show the latter synthesis method can produce Ag-TCNQ nanowires with high quality. They have diameters around 100 nm and lengths around 5 /spl mu/m. These nanowires could be poten…

Perovskite Materials and ApplicationsAdvanced Memory and Neural ComputingOrganic and Molecular Conductors Research

Pre-Stirring Promotes Nucleation of Protein Crystals

Hiroaki Adachi、Ai Niino、Hiroyoshi Matsumura 等 7 位作者2004-01-23Japanese Journal of Applied Physics

We examined the effect of stirring solutions before protein crystallization, which we call pre-stirring. We previously demonstrated that stirring the protein solution continuously promotes the effective growth of protein crystals. The continuous stirring prevents excess spontaneous nucleation and accelerates the growt…

Protein Structure and DynamicsEnzyme Structure and FunctionCrystallization and Solubility Studies

Analysis and evaluation of charge balancing circuits on performance, reliability and lifetime of supercapacitor systems

D. Linzen、S. Buller、E. Karden 等 4 位作者2004-01-23OpenAlex

Supercapacitors, also known as ultracapacitors or electric double layer capacitors (ELDC), are electrical energy storage devices, which offer high power density, extremely high cycling capability and mechanical robustness. Due to their electrical performance, supercapacitors have a high potential to be used in industr…

Supercapacitor Materials and FabricationAdvanced Battery Technologies ResearchElectric and Hybrid Vehicle Technologies

Resonant Raman scattering from N-doped and Si-doped diamondlike amorphous carbon films

Masanobu Yoshikawa、K. Iwagami、T. Matsunobe 等 7 位作者2004-01-23Physical Review B

We measured the Raman spectra of Si- and N-doped diamondlike amorphous carbon $(a\ensuremath{-}\mathrm{C}:\mathrm{H})$ films as a function of the excitation wavelength and found that the Raman spectral profiles of these samples varied with the excitation wavelength, depending on the optical band gap. The variation of…

Carbon Nanotubes in CompositesHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research

Synthesis and properties of photoalignable aromatic polyesters containing phenylenediacrylate units in their backbones and n‐alkyl moieties in their side groups

Seung Woo Lee、Moonhor Ree2004-01-23Journal of Polymer Science Part A Polymer Chemistry

Abstract A series of poly[oxy(4‐ n ‐alkyl‐3,5‐benzoate)oxy‐1,4‐phenylenediacryloyl]s (PPDA‐CnBZ polymers) with high molecular weights was synthesized. These polymers exhibit excellent solubility in some common organic solvents and produce good quality films using conventional spin‐casting and drying processes. The pol…

Liquid Crystal Research AdvancementsSynthesis and Properties of Aromatic CompoundsPhotochromic and Fluorescence Chemistry

Controlled Habit and Growth, and Electrooptic Evaluation of Organic Nonlinear Optical 4-Dimethylamino-N-Methyl-4-Stilbazolium Tosylate (DAST) Crystals

Kazuaki Nagaoka、Hiroaki Adachi、S. Brahadeeswaran 等 8 位作者2004-01-23Japanese Journal of Applied Physics

The habit of organic 4-dimethylamino- N -methyl-4-stilbazolium tosylate (DAST) crystals was successfully controlled by modifying their growth conditions. DAST solutions of different concentrations exhibited different aspect ratios (length/thickness). In addition, we measured the electrooptic (EO) sensitivity of DAST c…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsNonlinear Optical Materials Research

Perovskite Phase Stabilization of Pb(Zn1/3Ta2/3)O3 Ceramics Induced by PbTiO3 Seeds

Zhenrong Li、Aiying Wu、Paula M. Vilarinho2004-01-23Chemistry of Materials

In this work a new methodology to stabilize the perovskite phase in (1 − x )Pb(Zn 1/3 Ta 2/3 )O 3 x PbTiO 3 ((1 − x )PZTa x PT) ( x = 0.00−0.80) ceramics is presented. This approach combines the maximization of the crystalo−chemical and thermodynamics requirements and the optimization of the kinetics of the reaction o…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisDielectric properties of ceramics

High-Frequency Vibrational Properties of Metallic Nanocrystalline Grain Boundaries

P. M. Derlet、H. Van Swygenhoven2004-01-23Physical Review Letters

The high-frequency phonon properties of a computer generated nanocrystalline (nc) fcc Ni with a mean grain size of 5 nm are investigated by directly calculating the on-site phonon Green's function using a recursion technique based on a continued fraction representation. It is found that the high-frequency tail, observ…

Microstructure and mechanical propertiesAluminum Alloys Composites PropertiesBoron and Carbon Nanomaterials Research

Power Ultrasound-Assisted Cleaner Leather Dyeing Technique: Influence of Process Parameters

V. Sivakumar、Paruchuri G. Rao2004-01-23Environmental Science & Technology

The application of power ultrasound to leather processing has a significant role in the concept of "clean technology" for leather production. The effect of power ultrasound in leather dyeing has been compared with dyeing in the absence of ultrasound and conventional drumming. The power ultrasound source used in these…

Ultrasound and Hyperthermia ApplicationsUltrasound and Cavitation PhenomenaPhotoacoustic and Ultrasonic Imaging

On the NQR detection of nitrogenated substances by multi‐pulse sequences

V. Mikhaltsevitch、T.N. Rudakov2004-01-23physica status solidi (b)

Abstract Theoretical and practical aspects of using multi‐pulse spin‐locking and the “strong off‐resonant comb” (SORC) sequence for detecting nitrogenated substances by the nuclear quadrupole resonance method were studied. A number of optimum correlations between the parameters of multi‐pulse sequences and the relaxat…

Advanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyElectron Spin Resonance Studies

A new band in Cr3+‐doped MgAl2O4 natural spinel at room temperature

The‐Long Phan、Manh‐Huong Phan、Seong‐Cho Yu2004-01-23physica status solidi (b)

Abstract Time resolved photoluminescence spectra of natural MgAl 2 O 4 spinel doped with Cr 3+ ions have been investigated at room temperature in the wavelength range between 380 and 800 nm. Using several excitation sources from the different lasers we have observed a new band, namely K, with a peak of 15,547 cm −1 (6…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsNuclear materials and radiation effects

Synthesis and Surface Chemistry of Spherical Mesoporous Organic−Inorganic Hybrid Particles with an Integrated Alcohol Functionality on the Pore Surface

Julia Ding、Christopher Hudalla、James T. Cook 等 7 位作者2004-01-23Chemistry of Materials

Novel mesoporous organic−inorganic spherical hybrid particles are described that contain a 3-hydroxypropyl organic functionality which is integral to the pore surface. The 3-hydroxypropyl hybrid particle is synthesized in three steps starting from a 4:1 (mol/mol) mixture of tetraethoxysilane and [3-(methacryloxy)propy…

Mesoporous Materials and CatalysisCatalysis and Oxidation ReactionsCovalent Organic Framework Applications

Novel Aluminum Phosphate-5 Crystal Morphologies Synthesized by Microwave Heating of a Water-in-Oil Microemulsion

J-C. Lin、J. T. Dipre、Matthew Z. Yates2004-01-23Langmuir

The molecular sieve aluminum phosphate number 5 (AlPO 4 -5) was crystallized through microwave heating of reagents initially confined in water-in-toluene microemulsion droplets. The surfactant cetyltrimethylammonium bromide and cosurfactant butanol were used to form the microemulsion. By adjusting the microemulsion co…

Zeolite Catalysis and SynthesisGas Sensing Nanomaterials and SensorsMesoporous Materials and Catalysis

Ionic disorder and Yaffet–Kittel angle in nanoparticles of ZnFe2O4 prepared by sol‐gel method

Li Wang、Qingguo Zhou、Fashen Li2004-01-23physica status solidi (b)

Abstract ZnFe 2 O 4 nanoparticles have been prepared by sol‐gel methods. Mössbauer spectra from 4.2 K to RT showed their magnetic ordering took place at much higher temperature than that of bulk zinc ferrite. Mössbauer measurements that cover the temperature range 4.2 K to room temperature were acquired in zero field…

Multiferroics and related materialsMagnetic Properties and Synthesis of FerritesIron oxide chemistry and applications

Trends in Optical Nonlinearity and Thermal Stability in Electrooptic Chromophores Based upon the 3-(Dicyanomethylene)-2,3-dihydrobenzothiophene-1, 1-dioxide Acceptor

Zhong-Ying Hu、Alain Fort、Marguerite Barzoukas 等 6 位作者2004-01-23The Journal of Physical Chemistry B

A series of new thiophene-bridged chromophores based on the powerful heterocyclic acceptor 3-(dicyanomethylene)-2,3-dihydrobenzothiophene-1,1-dioxide has been synthesized; the dependence of the linear and second-order nonlinear optical properties and thermal stability of these species upon the donor group and the brid…

Liquid Crystal Research AdvancementsNonlinear Optical Materials ResearchNonlinear Optical Materials Studies

Room temperature local synthesis of carbon nanotubes

Dane Christensen、Ongi Englander、Jongbaeg Kim 等 4 位作者2004-01-23OpenAlex

We report the synthesis of carbon nanotubes (CNT) by localized resistive heating of a MEMS structure in a room temperature chamber. This is the first known vapor-deposition CNT growth method that does not require globally elevated temperatures. The localized, selective, and scalable process is compatible with on-chip…

Carbon Nanotubes in CompositesNanowire Synthesis and ApplicationsNanotechnology research and applications

Crystal structure of the YGR205w protein from Saccharomyces cerevisiae: Close structural resemblance to E. coli pantothenate kinase

I. Li de la Sierra-Gallay、Bruno Collinet、Marc Graille 等 16 位作者2004-01-23Proteins Structure Function and Bioinformatics

The protein product of the YGR205w gene of Saccharomyces cerevisiae was targeted as part of our yeast structural genomics project. YGR205w codes for a small (290 amino acids) protein with unknown structure and function. The only recognizable sequence feature is the presence of a Walker A motif (P loop) indicating a po…

RNA and protein synthesis mechanismsEnzyme Structure and FunctionNeurological diseases and metabolism

Circuit-compatible modeling of carbon nanotube FETs in the ballistic limit of performance

Arijit Raychowdhury、Saibal Mukhopadhyay、Kaushik Roy2004-01-23OpenAlex

Carbon Nanotube Field-Effect Transistors (CNFETs) are being extensively studied as possible successors to CMOS. Novel device structures have been fabricated and device simulators have been developed to estimate their performance in a sub-10 nm transistor era. This paper presents a novel circuit-compatible modeling of…

Carbon Nanotubes in CompositesGraphene research and applicationsAdvancements in Semiconductor Devices and Circuit Design

Tuning the Interfacial Properties of Grafted Chains with a pH Switch

X. X. Zhu、J. DeGraaf、Françoise M. Winnik 等 4 位作者2004-01-23Langmuir

Environmentally responsive, water-soluble polymers have a wide variety of uses ranging from drug delivery to viscosity modifiers. Their utility lies in the ability to use environmental perturbations to dramatically alter the material properties. Here, we describe the interfacial properties of a hydrophobically modifie…

Hydrogels: synthesis, properties, applicationsAdvanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studies