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Self-consistent polymer integral equation theory: Comparisons with Monte Carlo simulations and alternative closure approximations

Arun Yethiraj、Kenneth S. Schweizer1992-07-15The Journal of Chemical Physics

Recently, Schweizer, Honnell, and Curro reported a self-consistent formulation of the polymer reference interaction site model (PRISM) theory for polymer melts. The purpose of this paper is to compare the predictions of this theory to Monte Carlo simulations of hard chains thereby allowing an independent test of the v…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesThermodynamic properties of mixtures

Cloning and chromosomal location of human alpha 1(XVI) collagen.

Te‐Cheng Pan、R Z Zhang、Marie‐Geneviève Mattéi 等 5 位作者1992-07-15Proceedings of the National Academy of Sciences

We have characterized cDNA clones that encode a newly discovered collagenous polypeptide. A 4-kilobase (kb) cDNA clone was initially isolated by screening a human fibroblast cDNA library with a probe encoding the collagenous domain of the human alpha 3(VI) collagen. Subsequent screening of another fibroblast cDNA libr…

Cell Adhesion Molecules ResearchSkin and Cellular Biology ResearchCollagen: Extraction and Characterization

X-ray and neutron scattering studies of the structure of hyperquenched glassy water

Marie‐Claire Bellissent‐Funel、Louis Bosio、Andreas Hallbrucker 等 5 位作者1992-07-15The Journal of Chemical Physics

X-ray and neutron diffraction measurements were performed on glassy water prepared by rapid cooling of water droplets on a cryoplate. Structure factors and radial distribution functions were found to be nearly identical to those obtained from amorphous ice formed either by vapor deposition onto substrates cooled at 77…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesGlass properties and applications

Phonons in Si-Ge systems: Anab initiointeratomic-force-constant approach

Stefano de Gironcoli1992-07-15Physical review. B, Condensed matter

The vibrational properties of Si-Ge systems are studied theoretically with ab initio techniques. Full dispersion relations for pure silicon and germanium crystals under several (homogeneous and epitaxial) strain conditions are obtained from interatomic force constants (IFC's). High-symmetry vibrations for a few short-…

Force Microscopy Techniques and ApplicationsSilicon Nanostructures and PhotoluminescenceSemiconductor materials and interfaces

Electroluminescence and electrical transport in poly(3-octylthiophene) diodes

D. C. Braun、G. Gustafsson、D. McBranch 等 4 位作者1992-07-15Journal of Applied Physics

We report visible light emission from diodes made from poly(3-octylthiophene). Use of a soluble derivative of polythiophene allows fabrication of the light emitting diodes by casting the polymer film from solution with no subsequent processing or heat treatment required. The devices emit dim red-orange light with rela…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchConducting polymers and applications

Valence Band Offset and Electronic Structures of Zinc-Compound Strained Superlattices

Takashi Nakayama1992-07-15Journal of the Physical Society of Japan

Electronic structures and band offsets of Zinc-compound (001) strained superlattices are calculated by the first-principles pseudopotential method. It is shown that strained superlattices become quantum well systems of good quality for the states around the fundamental gap. With varying the strain surroundings, band o…

ZnO doping and propertiesSuperconductivity in MgB2 and AlloysSurface and Thin Film Phenomena

Quasielastic release in shock-compressed solids

J. N. Johnson、R. S. Hixson、G. T. Gray 等 4 位作者1992-07-15Journal of Applied Physics

Shock- and release-wave measurements are reported for 6061-T6 aluminum [J. R. Asay and L. C. Chhabildas, in Shock Waves and High-Strain-Rate Phenomena in Metals, edited by M. A. Meyers and L. E. Murr (Plenum, New York, 1981), pp. 417–431], oxygen-free-electronic copper, and a Si-bronze alloy. Significant departure fro…

High-pressure geophysics and materialsEnergetic Materials and CombustionHigh-Velocity Impact and Material Behavior

Size dependence of plasmon energy in Si clusters

Masanori Mitome、Yuzo Yamazaki、H. Takagi 等 4 位作者1992-07-15Journal of Applied Physics

Plasmons in Si clusters were investigated by electron energy loss spectroscopy attached to high-resolution transmission electron microscopy, by which an individual cluster can be investigated with the electron probe of 2 nm size. It has been found that the plasmon energy increases in proportion to the inverse square o…

Quantum Dots Synthesis And PropertiesSemiconductor materials and devicesSilicon Nanostructures and Photoluminescence

Effect of low-level titanium(IV) doping on the resistivity of magnetite near the Verwey transition

Z. Kąkol、J. Sabol、J J Stickler 等 4 位作者1992-07-15Physical review. B, Condensed matter

The effects of Ti substitution for Fe on octahedral sites in magnetite has been investigated through electrical resistivity measurements. In a manner analogous to zinc ferrites, the Verwey transition temperature is depressed with increasing Ti content. The Verwey transition is of first order in ${\mathrm{Fe}}_{3\mathr…

Magnetic Properties and Synthesis of FerritesElectromagnetic wave absorption materialsIron oxide chemistry and applications

Phase separation during film growth

M. Atzmon、Daniel Kessler、David J. Srolovitz1992-07-15Journal of Applied Physics

A diffusion equation describing phase separation during co-deposition of a binary alloy is derived, and solved in the limit of dominant surface diffusion. Linear stability analysis yields results similar to bulk spinodal decomposition, except that long, and possibly all, wavelength are stabilized. Decomposition into t…

Solidification and crystal growth phenomenaFluid Dynamics and Thin Filmsnanoparticles nucleation surface interactions

Large electronic-density increase on cooling a layered metal: DopedBi2Te3

G. A. Thomas、D. H. Rapkine、R. B. van Dover 等 7 位作者1992-07-15Physical review. B, Condensed matter

We have carried out optical and transport measurements of the free carriers and optical measurements of states above the semiconducting energy gap in the layered crystal ${\mathrm{Bi}}_{2}$${\mathrm{Te}}_{3}$. We find that cooling causes a substantial amount of spectral weight to condense from the above-gap states int…

Physics of Superconductivity and MagnetismAdvanced Thermoelectric Materials and DevicesTopological Materials and Phenomena

Electric-field-gradient calculations for systems with large extended-core-state contributions

Peter Blaha、David J. Singh、P. Sorantin 等 4 位作者1992-07-15Physical review. B, Condensed matter

Electric-field-gradient (EFG) calculations for ${\mathrm{TiO}}_{2}$ in the rutile structure using the standard full-potential linearized-augmented-plane-wave (LAPW) method have shown that the contribution of the Ti 3p semicore states is comparable to that of the valence electrons in contrast to other systems studied s…

ZnO doping and propertiesHeusler alloys: electronic and magnetic propertiesElectronic and Structural Properties of Oxides

Preparation and characterization ofBxC1−xthin films with the graphite structure

B. M. Way、J. R. Dahn、T. Tiedje 等 5 位作者1992-07-15Physical review. B, Condensed matter

Using chemical vapor deposition (CVD), we have prepared ${\mathrm{B}}_{\mathit{x}}$${\mathrm{C}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$ solid solutions for 0x0.17, which have the graphite structure. By varying the relative proportions of benzene and boron trichloride in the CVD reactor, we are able to control the boron…

Graphene research and applicationsSilicon Carbide Semiconductor TechnologiesBoron and Carbon Nanomaterials Research

The molecular dynamics around the glass transition and in the glassy state of molecular organic systems: A 2H−nuclear magnetic resonance study

W. Schnauss、F. Fujara、H. Sillescu1992-07-15The Journal of Chemical Physics

2H-nuclear magnetic resonance(NMR)-spin–lattice relaxation experiments have been performed for studying the crossover from viscous (α process) to secondary (β processes) dynamics in the van der Waals liquid orthoterphenyl and the H-bridged network glycerol. The essential and general features, observed in both systems,…

Material Dynamics and PropertiesIonic liquids properties and applicationsThermodynamic properties of mixtures

Conformation-dependent cleavage of staphylococcal nuclease with a disulfide-linked iron chelate.

Mario R. Ermácora、José M. Delfino、Bernard Cuenoud 等 5 位作者1992-07-15Proceedings of the National Academy of Sciences

We report the synthesis and evaluation of (EDTA-2-aminoethyl) 2-pyridyl disulfide. By using this easily prepared cysteine-specific hydrophilic reagent, an ethylenediaminetriacetic acid-Fe3+ complex (EDTA-Fe) was covalently attached to a single genetically engineered cysteine residue in staphylococcal nuclease. Upon ad…

Enzyme Structure and FunctionPorphyrin Metabolism and DisordersBiochemical and Molecular Research

Lithium intercalation intoWO3and the phase diagram ofLixWO3

Q. Zhong、J. R. Dahn、Konrad Colbow1992-07-15Physical review. B, Condensed matter

We report studies of the electrochemical intercalation of lithium in ${\mathrm{WO}}_{3}$ powder and in polycrystalline evaporated ${\mathrm{WO}}_{3}$ films. Electrochemical cells with beryllium x-ray windows were used to study the structure changes in the ${\mathrm{WO}}_{3}$ host in situ. Rietveld profile refinement w…

Advancements in Battery MaterialsTransition Metal Oxide NanomaterialsSemiconductor materials and interfaces

Quadratic response functions for a multiconfigurational self-consistent field wave function

Hinne Hettema、Hans Jørgen Aa. Jensen、Poul Jo rgensen 等 4 位作者1992-07-15The Journal of Chemical Physics

We describe an efficient implementation of the quadratic response function for a multiconfiguration self-consistent field reference wave function. The quadratic response function determines the hyperpolarizability and its residues determine the two-photon transition matrix elements and the transition matrix elements b…

Advanced Chemical Physics StudiesNonlinear Optical Materials ResearchSpectroscopy and Quantum Chemical Studies

Model for quantitative analysis of reflection-electron-energy-loss spectra

F. Yubero、S. Tougaard1992-07-15Physical review. B, Condensed matter

Two models to reproduce experimental inelastic-electron-scattering cross sections determined from reflection-electron-energy-loss spectroscopy (REELS) are considered. The models take into account the momentum transfer in the inelastic processes. Inputs for the models are the dielectric function and the inelastic elect…

Advancements in Photolithography TechniquesX-ray Spectroscopy and Fluorescence AnalysisElectron and X-Ray Spectroscopy Techniques

Phase control of cubic boron nitride thin films

Daniel J. Kester、R. Messier1992-07-15Journal of Applied Physics

Ion beam assisted evaporation was used to deposit cubic and hexagonal boron nitride thin films. Boron was evaporated and bombardment was by argon and nitrogen ions. The effect of preparation conditions on the resulting phase was studied, and the relationship between the phase and the energy and momentum transferred in…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Connecting carbon tubules

Brett I. Dunlap1992-07-15Physical review. B, Condensed matter

Two possible joints between different types of carbon tubules are discussed. Both joints introduce a single pentagon-heptagon pair into the perfect hexagon bonding pattern of the two tubules. These two types of joints can be used to form composite tubules in which every carbon atom is threefold coordinated. The first…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications