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An overview of the CCP4 project in protein crystallography: an example of a collaborative project

Martyn Winn2002-12-24Journal of Synchrotron Radiation

The Collaborative Computational Project Number 4 (CCP4) was established in 1979 to promote collaboration between UK groups writing software for protein crystallography. CCP4 now distributes a large software suite and is active in developing new software. Equally importantly, CCP4 provides a focus for the whole protein…

Protein Structure and DynamicsAdvanced Proteomics Techniques and ApplicationsEnzyme Structure and Function

Synthesis and Characterization of Heterodinuclear Ln3+−Fe3+ and Ln3+−Co3+ Complexes, Bridged by Cyanide Ligand (Ln3+ = Lanthanide Ions). Nature of the Magnetic Interaction in the Ln3+−Fe3+ Complexes

Albert Figuerola、C. Díaz、Joan Ribas 等 8 位作者2002-12-24Inorganic Chemistry

The reaction of Ln(NO3)3.aq with K3[Fe(CN)6] or K3[Co(CN)6] in N,N'-dimethylformamide (DMF) led to 25 heterodinuclear [Ln(DMF)4(H2O)3(mu-CN)Fe(CN)5].nH2O and [Ln(DMF)4(H2O)3(mu-CN)Co(CN)5].nH2O complexes (with Ln = all the lanthanide(III) ions, except promethium and lutetium). Five complexes (Pr(3+)-Fe3+), (Tm(3+)-Fe3…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Transport anomaly in the low energy regime of spin chains

Keiji Saito2002-12-24arXiv

The anomalous thermal conductivity in spin chains observed in experiments is studied for the low temperature regime. In the effective dynamics with most realistic perturbations, the so-called Umklapp terms is irrelevant to reduce mean free path in the energy transport at even finite temperatures. This is consistent wi…

Mesoscale and Nanoscale PhysicsMaterials ScienceStrongly Correlated Electrons

Quantum properties of atomic-sized conductors

Nicolas Agrait、Alfredo Levy Yeyati、Jan M. van Ruitenbeek2002-12-24arXiv

Using remarkably simple experimental techniques it is possible to gently break a metallic contact and thus form conducting nanowires. During the last stages of the pulling a neck-shaped wire connects the two electrodes, the diameter of which is reduced to single atom upon further stretching. For some metals it is even…

Mesoscale and Nanoscale PhysicsMaterials ScienceSuperconductivity

MD simulations and continuum theory of partially fluidized shear granular flows

Dmitri Volfson、Lev S. Tsimring、Igor S. Aranson2002-12-24arXiv

We carry out a detailed comparison of soft particle molecular dynamics simulations with the theory of partially fluidized shear granular flows. We verify by direct simulations a constitutive relation based on the separation of the shear stress tensor into a fluid part proportional to the strain rate tensor, and a rema…

Materials ScienceSoft Condensed Matter

Thermal expansion of solid solutions Kr-CH4 at temperatures of liquid helium

A. N. Aleksandrovskii、V. G. Gavrilko、A. V. Dolbin 等 6 位作者2002-12-24arXiv

A negative contribution of the CH4 impurity to the thermal expansion of the solution has been revealed in dilatometric studies of solid Kr+0.76% CH4, Kr+5.25% CH4 and Kr+10.5% CH4 solutions at 1-23 K. It is shown that the negative contribution results from changes in the occupancy of the ground state of the A-modifica…

Materials Science

Low temperature thermal expansion of pure and inert gas-doped Fullerite C60

A. N. Aleksandrovskii、A. S Bakai、A. V. Dolbin 等 10 位作者2002-12-24arXiv

The low temperature (2-24 K) thermal expansion of pure (single crystal and polycrystalline) C60 and polycrystalline C60 intercalated with He, Ne, Ar, and Kr has been investigated using high-resolution capacitance dilatometer. The investigation of the time dependence of the sample length variations on heating shows tha…

cond-mat.dis-nnMaterials Science

Calculating core losses in transformers for arbitrary magnetizing currents a comparison of different approaches

Manfred Albach、Thomas Dürbaum、A. Brockmeyer2002-12-24OpenAlex

This paper presents a practical method for predicting the core losses in magnetic components for an arbitrary shape of the magnetizing current. This theory is based on a weighted time derivative of the magnetic flux density and offers the possibility to use the suppliers data, normally derived from measurements with s…

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

Characterization of CeO2−ZrO2 Mixed Oxides. Comparison of the Citrate and Sol−Gel Preparation Methods

M. Alifanti、Bernard Baps、Nathalie Blangenois 等 6 位作者2002-12-24Chemistry of Materials

CeO 2 −ZrO 2 mixed oxides were synthesized by two mild chemical routes: complexation with citric acid and the sol−gel method. XRD and ESEM investigations revealed the appearance of a solid solution around 400 °C, depending on the ratio between the two oxides and the preparation method. Solids obtained by the citrate m…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Oxidation Reactions

Solution-Phase Synthesis of Cu2O Nanocubes

Linfeng Gou、Catherine J. Murphy2002-12-24OpenAlex

We report here the solution-phase synthesis of highly uniform and monodisperse cubic Cu 2 O nano- and microcubes. Copper(II) salts in water are reduced with sodium ascorbate in air, in the presence of a surfactant. The average edge length of the cubes varies from 200 to 450 nm, as a function of surfactant concentratio…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications

Thin film magnetostrictive sensor with on-chip readout and attoFarad capacitance resolution

Yong Lu、Arokia Nathan、T. Manku 等 4 位作者2002-12-23OpenAlex

We report the first successful integration of magnetostrictive Metglas (Fe/sub 78/Si/sub 9/B/sub 13/) thin film sensor with a readout circuit using standard integrated circuit (IC) process and surface micromachining. The Metglas thin film is on a nitride cantilever beam. Its magnetic domains are subject to rotation in…

Advanced MEMS and NEMS TechnologiesMagnetic Properties and ApplicationsMagneto-Optical Properties and Applications

Theory of phonon drag thermopower

P. G. Klemens2002-12-23OpenAlex

The phonon contribution to the thermopower, S/sub p/, was first seen in germanium at low temperatures, and theoretically explained by Herring. Subsequently it was also predicted and identified in metals and alloys. In melts all phonons interact with the electron gas, and the theory is much simpler. In semiconductors o…

Advanced Thermoelectric Materials and DevicesThermal properties of materialsThermal Radiation and Cooling Technologies

The effect of space charges on conduction current in polymer by modified PEA method

Seung Hwangbo、Do-Hong Yun、Dong-Young Yi 等 4 位作者2002-12-23OpenAlex

Direct measurement of space charge and conduction current was carried out on low-density polyethylene degraded by ultraviolet radiation using a pulsed electro-acoustic (PEA) method. Dominant heterocharges were formed near both electrodes by high voltage application and was found to be deeply trapped. In this paper, th…

High voltage insulation and dielectric phenomenaInfrastructure Maintenance and MonitoringNon-Destructive Testing Techniques

Partial discharge measurements on a high voltage direct current mass impregnated paper cable

Marc Jeroense、F.H. Kreuger2002-12-23OpenAlex

Partial discharge measurement has been a good tool for the quality assurance of power cable insulation under alternating voltage. With the growing interest in HVDC power cables, it therefore seems logical to extend this technique for use at direct voltage. The paper describes this technique as used on a HVDC cable wit…

High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationThermal Analysis in Power Transmission

Raman spectroscopy of heavily doped polycrystalline and microcrystalline silicon

Philipp Lengsfeld、S. Brehme、K. Brendel 等 5 位作者2002-12-23physica status solidi (b)

Abstract Raman measurements of heavily doped laser crystallized poly‐Si and as‐deposited μc‐SH show significant differences between the two materials. Poly‐Si samples exhibit the Fano effect just like heavily doped c‐Si samples. This is not true for the heavily doped μc‐SH samples.

Thin-Film Transistor TechnologiesSilicon Nanostructures and PhotoluminescenceIon-surface interactions and analysis

Transient measurement of resist charging during electron beam exposure

Min Bai、W. D. Meisburger、R. F. W. Pease2002-12-23Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena

Charging of resist films during electron beam exposure has been believed to cause significant (up to 500 nm) pattern displacement. However, our own modeling and direct measurements of pattern displacement have suggested that the pattern displacement is less than 20 nm under typical mask making conditions (10 keV elect…

Advancements in Photolithography TechniquesElectron and X-Ray Spectroscopy TechniquesIntegrated Circuits and Semiconductor Failure Analysis

Solvent‐induced modifications in polyester yarns. I. Mechanical properties

Dev Chidambaram、R. Venkatraj、P. Manisankar2002-12-23Journal of Applied Polymer Science

Abstract The mechanical properties of polyester (PET) yarns, fine filament, and microdenier (original and heat‐set), treated with a trichloroacetic acid–chloroform (TCAC) mixture were investigated. The treatments were carried out in an unstrained state with various concentrations of the TCAC reagent at room temperatur…

Mechanical Behavior of CompositesDyeing and Modifying Textile FibersTextile materials and evaluations

Sorption and desorption of tetrachloroethylene in fluoropolymers: Effects of the chemical structure and crystallinity

Mikael S. Hedenqvist、J. E. Ritums、M. Condé‐Brana 等 4 位作者2002-12-23Journal of Applied Polymer Science

Abstract In 18 fluoropolymers with different repeating‐unit structures and crystallinities, the solubility, diffusivity, and permeability at 70°C of a polarizable nonpolar solute (tetrachloroethylene) were studied. The transport properties were mostly controlled by the polarity of the polymer and to a lesser degree by…

Asphalt Pavement Performance EvaluationPolymer crystallization and propertiesMembrane Separation and Gas Transport

Select the right plastic film capacitor for your power electronic applications

R.J. Anderson2002-12-23OpenAlex

This presentation assists the power electronic designer in selecting the correct plastic film capacitor for a particular application. It reviews the critical characteristics of the capacitors utilized in most power electronic applications. It presents why polypropylene is the dielectric of choice and which winding con…

High voltage insulation and dielectric phenomena

Theoretical analysis of thermoelectric cooling performance enhancement via thermal and electrical pulsing

Richard Buist、Peter Lau2002-12-23OpenAlex

This paper is an introduction and theoretical investigation of the fast-transient cooling characteristics of a TE module under applied high-current electrical pulses. A temperature-dependent, finite element model was developed to accurately model the fast-transient performance. Analysis of experimental data is present…

Advanced Thermoelectric Materials and DevicesElectronic Packaging and Soldering TechnologiesAcoustic Wave Resonator Technologies