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Atomistic simulation of titanium. I. A bond-order potential

A. Girshick、A. M. Bratkovsky、D. G. Pettifor 等 4 位作者1998-04-01Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties

The bond-order potential for hcp Ti has been constructed in the framework of a tight-binding description of the binding energy. In this scheme the energy consists of two parts: the bond part that comprises the d-electron contribution to bonding, and a pairwise part. Both parts contain fitting parameters but are treate…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsBoron and Carbon Nanomaterials Research

Electric fields in HVDC paper-insulated cables

Marc Jeroense、P.H.F. Morshuis1998-04-01IEEE Transactions on Dielectrics and Electrical Insulation

HVDC cables start playing a more and more important role in interconnecting national grids. This paper deals with the calculation of electric fields in HVDC cables. The calculation of fields in an HVDC cable is far more complex than the equivalent case in HV ac cables. This is due to the fact that the conductivity of…

High voltage insulation and dielectric phenomenaLightning and Electromagnetic PhenomenaThermal Analysis in Power Transmission

Perspectives on the History of Glass Composition

Charles R. Kurkjian、William Prindle1998-04-01Journal of the American Ceramic Society

The 100th anniversary of The American Ceramic Society corresponds approximately with the 100th anniversary of what might be considered the start of the age of glass science, i.e., the publication, in Germany, in 1886, of the catalog of Schott und Genossen, containing 44 optical glass compositions. The American Ceramic…

Glass properties and applicationsLaser Material Processing TechniquesBuilding materials and conservation

Magnetic Reversal on Vicinal Surfaces

R. A. Hyman、A. Zangwill、M. D. Stiles1998-04-01arXiv

We present a theoretical study of in-plane magnetization reversal for vicinal ultrathin films using a one-dimensional micromagnetic model with nearest-neighbor exchange, four-fold anisotropy at all sites, and two-fold anisotropy at step edges. A detailed "phase diagram" is presented that catalogs the possible shapes o…

Materials Science

Monte Carlo study of Si(111) homoepitaxy

Makoto Itoh1998-04-01arXiv

An attempt is made to simulate the homoepitaxial growth of a Si(111) surface by the kinetic Monte Carlo method in which the standard Solid-on-Solid model and the planar model of the (7x7) surface reconstruction are used in combination. By taking account of surface reconstructions as well as atomic deposition and migra…

Materials Sciencecond-mat.stat-mech

Modeling the contribution of quantum confinement to luminescence from silicon nanoclusters

P.F. Trwoga、Anthony J. Kenyon、C.W. Pitt1998-04-01Journal of Applied Physics

We present a model for the luminescence spectrum of silicon nanoclusters. We propose that the major contribution to luminescence is from radiative recombination of confined excitons (quantum confinement). Utilizing the effective mass approximation we consider the variation in oscillator strength with cluster size and…

Carbon Nanotubes in CompositesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Rotating-compensator multichannel ellipsometry: Applications for real time Stokes vector spectroscopy of thin film growth

Joungchel Lee、P. I. Rovira、Ilsin An 等 4 位作者1998-04-01Review of Scientific Instruments

A multichannel spectroscopic ellipsometer based on the rotating-compensator principle was developed and applied to measure the time evolution of spectra (1.5–4.0 eV) in the normalized Stokes vector of the light beam reflected from the surface of a growing film. With this instrument, a time resolution of 32 ms for full…

Diamond and Carbon-based Materials ResearchLaser-induced spectroscopy and plasmaSurface Roughness and Optical Measurements

Superparamagnetic behavior of structural domains in epitaxial ultrathin magnetite films

F. C. Voogt、T. T. M. Palstra、L. Niesen 等 6 位作者1998-04-01Physical review. B, Condensed matter

We provide evidence that thin films of magnetite ${\mathrm{Fe}}_{3}{\mathrm{O}}_{4}$ epitaxially grown on single-crystalline MgO(100), form domains with unique magnetic properties. Strong 180\ifmmode^\circ\else\textdegree\fi{} Fe-O-Fe superexchange paths at antiphase domain boundaries result in a frustration of the in…

Magnetic Properties and Synthesis of FerritesMagnetic Properties of AlloysGeomagnetism and Paleomagnetism Studies

Determining the Kapitza resistance and the thermal conductivity of polycrystals: A simple model

Ce‐Wen Nan、R. Birringer1998-04-01Physical review. B, Condensed matter

A simple model for the thermal conductivity of polycrystals is presented by incorporating the concept of the Kapitza resistance with an effective medium approach. By applying this model to a few thermoelectric alloys reported in the literature, we show that it quite well describes the often observed grain size-depende…

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

Morphology and Enzymatic Degradation of Poly(l-lactic acid) Single Crystals

Tadahisa Iwata、Yoshiharu Doi1998-04-01Macromolecules

Lamellar single crystals of poly( l -lactic acid) (PLLA) were grown from a 0.05% solution of p -xylene at 90 °C. The hexagonal, truncated-lozenge and lozenge-shaped single crystals with spiral growth were prepared simultaneously, and these crystals were relatively stable under conditions of electron bombardment. The h…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Thermal Expansion of Nickel‐Zirconia Anodes in Solid Oxide Fuel Cells during Fabrication and Operation

Masashi Mori、Tohru Yamamoto、Hibiki Itoh 等 5 位作者1998-04-01Journal of The Electrochemical Society

The thermal expansion of NiO‐8 mol % Y 2 O 3 ‐stabilized ZrO 2 (YSZ) composites and Ni‐YSZ cermets in air and hydrogen have been investigated in the temperature range from 50 to 1000°C. The average linear thermal expansion coefficient (TEC) of NiO‐YSZ composites in air increased with NiO content over the entire compos…

Advancements in Solid Oxide Fuel CellsHigh-Temperature Coating BehaviorsThermal Expansion and Ionic Conductivity

Cobalt Porphyrin Catalyzed Reduction of CO2. Radiation Chemical, Photochemical, and Electrochemical Studies

D. Behar、T. Dhanasekaran、P. Neta 等 7 位作者1998-04-01The Journal of Physical Chemistry A

Several cobalt porphyrins (CoP) have been reduced by radiation chemical, photochemical, and electrochemical methods, in aqueous and organic solvents. In aqueous solutions, the Co I P state is stable at high pH but is shorter lived in neutral and acidic solutions. Stable Co I P is also observed in organic solvents and…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsCO2 Reduction Techniques and Catalysts

Optimal and near‐optimal filters in high‐resolution electron microscopy

R. Kilaas1998-04-01Journal of Microscopy

Two filters for improving the visibility of crystalline material in the presence of amorphous surface contamination layers in high‐resolution electron microscope images can be constructed automatically from the information present in the Fourier transform of the recorded image. The recorded signal is considered in the…

Hydrocarbon exploration and reservoir analysisAdvanced Electron Microscopy Techniques and ApplicationsElectron and X-Ray Spectroscopy Techniques

Accuracy of the non-destructive surface nanostructure quantification technique based on analysis of the XPS or AES peak shape

S. Tougaard1998-04-01Surface and Interface Analysis

The accuracy of XPS and AES quantification by peak shape analysis was established from a detailed analysis of a range of model spectra and three sets of experiments. It was found that information on the concentration–depth profile in the surface region up to depths of ∽5λi (where λi is the inelastic electron mean free…

X-ray Spectroscopy and Fluorescence AnalysisMachine Learning in Materials ScienceElectron and X-Ray Spectroscopy Techniques

Texture control of PbTiO3 and Pb(Zr,Ti)O3 thin films with TiO2 seeding

Paul Muralt、Thomas Maeder、Laurent Sagalowicz 等 11 位作者1998-04-01Journal of Applied Physics

The nature and the role of 1 to 5 nm thick TiO2 seed layers for the growth of textured PbTiO3 and Pb(Zr,Ti)O3 thin films on textured Pt(111) thin film substrates have been studied. Under otherwise identical in situ sputter deposition process conditions, the PbTiO3 texture could be turned from (100) to (111) orientatio…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesElectronic and Structural Properties of Oxides

BEARTEX: a Windows-based program system for quantitative texture analysis

H. R. Wenk、S. Matthies、J. Donovan 等 4 位作者1998-04-01OpenAlex

BEARTEX is a general PC-based Windows software package for quantitative texture analysis. The 30 programs that it contains provide corrections for experimental pole figures, orientation distribution calculations from complete or incomplete pole figures for all crystal and sample symmetries down to triclinic, graphical…

Crystallization and Solubility StudiesX-ray Diffraction in Crystallography

From Nagaoka's Ferromagnetism to Flat-Band Ferromagnetism and Beyond: An Introduction to Ferromagnetism in the Hubbard Model

H. Tasaki1998-04-01OpenAlex

It is believed that strong ferromagnetic interactions in some solids are generated by subtle interplay between quantum many-body effects and spin-independent Coulomb interactions between electrons. It is a challenging problem to verify this scenario in the Hubbard model, which is an idealized model for strongly intera…

Iron-based superconductors researchHeusler alloys: electronic and magnetic propertiesChemical and Physical Properties of Materials

Kinetically Controlled Growth and Shape Formation Mechanism of Platinum Nanoparticles

Janet M. Petroski、Zhong Lin Wang、Travis C. Green 等 4 位作者1998-04-01OpenAlex

Recently, we have been able to synthesize platinum colloidal nanoparticles of different shapes ( Science, 1996, 272, 1924). In this report, we present transmission electron microscopic (TEM) results on the time-dependent shape distribution of platinum nanoparticles during the growth period and its dependence on the co…

Gold and Silver Nanoparticles Synthesis and ApplicationsIron oxide chemistry and applicationsnanoparticles nucleation surface interactions

The (hkl) Dependence of Diffraction-Line Broadening Caused by Strain and Size for all Laue Groups in Rietveld Refinement

N. C. Popa1998-04-01OpenAlex

Models are presented which are compatible with the Rietveld method for the anisotropic broadening of the diffracted peaks produced by crystallite size and microstrain. The models, derived from general crystallographic considerations, are different for different Laue groups.

Microstructure and mechanical propertiesAdvanced X-ray Imaging TechniquesX-ray Diffraction in Crystallography

New insights in the relation between electron trap generation and the statistical properties of oxide breakdown

R. Degraeve、G. Groeseneken、R. Bellens 等 7 位作者1998-04-01OpenAlex

In this paper it is demonstrated in a wide stress field range that breakdown in thin oxide layers occurs as soon as a critical density of neutral electron traps in the oxide is reached. It is proven that this corresponds to a critical hole fluence, since a unique relationship between electron trap generation and hole…

Semiconductor materials and devicesMetallurgical Processes and ThermodynamicsElectronic and Structural Properties of Oxides