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Fast full-potential calculations with a converged basis of atom-centered linear muffin-tin orbitals: Structural and dynamic properties of silicon

M. Methfessel、C. O. Rodríguez、O. K. Andersen1989-07-15OpenAlex

For fast and accurate density-functional calculations we devise a small basis set consisting of atom-centered linear muffin-tin orbitals (LMTO's). For the test case Si, an absolute total energy convergence of 0.02 eV/atom is obtained with 22 LMTO's/atom. The calculated lattice constant, elastic constants, phonon frequ…

Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchSemiconductor materials and interfaces

Accurate photodetachment cross sections for Li-

Vincenzo Carravetta、Hans Ågren、Hans Jørgen Aa. Jensen 等 5 位作者1989-07-14Journal of Physics B Atomic Molecular and Optical Physics

Using multiconfiguration linear response and Stieltjes imaging moment theory, accurate predictions are given for the photodetachment cross sections of Li - .

Electron and X-Ray Spectroscopy Techniques

K2Ca2(SO4)3for thermoluminescence dosimetry of a high-temperature environment

P.D. Sahare、S. V. Moharil、B.D. Bhasin1989-07-14Journal of Physics D Applied Physics

Results on thermoluminescence of K 2 Ca 2 (SO 4 ) 3 are reported which show that this phosphor is more sensitive than LiF-TLD 100, can be reused and there is no fading problem. Varying the irradiation temperature between 300 and 675 K had no effect on the TL response. These properties suggest that the phosphor can be…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesRadiation Effects and Dosimetry

Surface fatigue life of carburized and hardened M50NiL and AISI 9310spur gears and rolling-contact test bars

Dennis Townsend、E. N. Bamberger1989-07-1225th Joint Propulsion Conference

Spur gear endurance tests and rolling-element surface tests were conducted to investigate vacuum-induction-melted, vacuum-arc-melted (VIM-VAR) M50NiL steel for use as a gear steel in advanced aircraft applications, to determine its endurance characteristics, and to compare the results with those for standard VAR and V…

Advanced machining processes and optimizationMetal Alloys Wear and PropertiesAdvanced Sensor Technologies Research

Impedance Spectroscopy

F. B. Growcock、Raymond Jasinski1989-07-10ACS symposium series

The corrosion of steel in HCl, with and without inhibitors, shows relatively straightforward impedance spectroscopy (IS) phenomenology and can be represented by simple equivalent circuits of primarily passive electrical elements. Inductive effects are, apparently, a consequence of the measurement altering the surface…

Corrosion Behavior and InhibitionElectrochemical Analysis and ApplicationsAnalytical Chemistry and Sensors

Electroluminescence from sulfur impurities in a p-n junction formed in epitaxial silicon

P. L. Bradfield、Thomas G. Brown、Dennis G. Hall1989-07-10Applied Physics Letters

We characterize the behavior of electroluminescence from a sulfur-related impurity complex in a p-n junction formed in epitaxial silicon. The spectrum of the electroluminescence matches that of previously reported photoluminescence from sulfur impurities and persists to ∼150 K. In our structure, we find that the elect…

Thin-Film Transistor TechnologiesSilicon Nanostructures and PhotoluminescenceSemiconductor materials and interfaces

Influence of Soluble Surfactants on the Flow of Long Bubbles Through a Cylindrical Capillary

G. M. Ginley、Clayton J. Radke1989-07-10ACS symposium series

Flow of trains of surfactant-laden gas bubbles through capillaries is an important ingredient of foam transport in porous media. To understand the role of surfactants in bubble flow, we present a regular perturbation expansion in large adsorption rates within the low capillary-number, singular perturbation hydrodynami…

Enhanced Oil Recovery TechniquesPickering emulsions and particle stabilizationHeat and Mass Transfer in Porous Media

Depolarization field and ionic effects on the bistability of surface-stabilized ferroelectric liquid-crystal devices

K. H. Yang、Trieu C. Chieu、S. Osofsky1989-07-10Applied Physics Letters

Based on a collective switching model coupled to a simplified continuity equation for impurity ions, the internal electric field and light transmission of a surface-stabilized (SS), layer-tilted ferroelectric liquid-crystal (FLC) cell with insulating alignment layers have been calculated as a function of time, under b…

Liquid Crystal Research AdvancementsNonlinear Dynamics and Pattern FormationAdvanced Materials and Mechanics

Dynamic Stability of Foam Lamellae Flowing Through a Periodically Constricted Pore

A. I. Jiménez、Clayton J. Radke1989-07-10ACS symposium series

The stability threshold or critical capillary pressure of foam flowing in porous media depends on the flow rate, with higher velocities breaking the foam. We present a hydrodynamic theory, based on a single lamella flowing through a periodically constricted cylindrical pore, to predict how the critical capillary press…

Enhanced Oil Recovery TechniquesSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Formation of quasicrystals by mechanical alloying

J. Eckert、L. Schultz、K. Urban1989-07-10Applied Physics Letters

Quasi-crystalline Al65Cu20Mn15 powder has been produced by mechanical alloying from crystalline elemental powders. The alloying process has been monitored by x-ray diffraction, and the resulting product has been characterized by transmission electron microscopy. The quasi-crystalline phase forms after about 90 h of mi…

Quasicrystal Structures and PropertiesMineralogy and Gemology Studies

The Blazing Of Holographic Gratings Using Ion-Etching

J. Flamand、Francis Bonnemason、A. Thévenon 等 4 位作者1989-07-05Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

The development of holographic gratings has been significantly enhanced with the evolution of Ion-etching techniques to "sculpt" groove shapes in an effort to improve efficiency. In this paper it is shown that it is possible to create both plane and concave gratings with efficiency profiles consistent with c…

Plasma Diagnostics and ApplicationsOptical Coatings and GratingsSurface Roughness and Optical Measurements

Ionomers: The sodium salt of poly(ethylene‐co‐methacrylic acid)

Keling Han、H. Leverne Williams1989-07-05Journal of Applied Polymer Science

Abstract A chemical method and an improved absorbance ratio method are presented to determine the degree of neutralization of poly(ethylene‐co‐methacrylic acid). Compared to the chemical method, the absorbance ratio method is simple and fast. It can be used also to determine the degree of neutralization when the chemi…

Surface Modification and SuperhydrophobicityHigh voltage insulation and dielectric phenomenaPolymer Nanocomposite Synthesis and Irradiation

A study of inverse relaxation in some textile fibers

R. P. Nachane、G.F.S. Hussain、G. S. Patel 等 4 位作者1989-07-05Journal of Applied Polymer Science

Abstract This article discusses the phenomenon of inverse relaxation in some textile fibers, namely cotton, ramie, wool, polyester, and viscose. If anextended viscoelastic specimen is allowed to recover a part of the deformation given to it, such that its tension has not become zero, the stress in it tends to increase…

Textile materials and evaluations

Reduction of metal oxides by mechanical alloying

G. B. Schaffer、P.G. McCormick1989-07-03Applied Physics Letters

The chemical reduction of metal oxides by mechanical alloying with a strong reducing element has been investigated. Using x-ray diffraction to follow the reaction it was found that the mechanical alloying of CuO and Ca using toluene as a processing lubricant resulted in the formation of Cu. The mechanical alloying of…

Aluminum Alloy Microstructure PropertiesNanoporous metals and alloysMetallurgy and Material Science

Spin dynamics in the conducting polymer, polyaniline

K. Mizoguchi、M. Nechtschein、J.P. Travers 等 4 位作者1989-07-03Physical Review Letters

The frequency dependences of both proton NMR ${T}_{1}$ and ESR linewidth in polyaniline give evidence for quasi-1D spin diffusion. The on-chain diffusion rate, ${\mathit{D}}_{\mathrm{\ensuremath{\parallel}}}$, is independent on the protonation level, while the transverse diffusion, ${D}_{\ensuremath{\perp}}$, exhibits…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsElectrochemical Analysis and Applications

Thermochromic sputter-deposited vanadium oxyfluoride coatings with low luminous absorptance

K. A. Khan、Claes‐Göran Granqvist1989-07-03Applied Physics Letters

Thin films of VOxFy were made by rf magnetron sputtering of V in Ar+O2+CF4. They were analyzed by Rutherford backscattering spectrometry and transmission electron microscopy. Optical and electrical properties changed within narrow temperature ranges. These results resemble those of thermochromic VO2, although VOxFy ha…

Advanced Memory and Neural ComputingTransition Metal Oxide NanomaterialsGa2O3 and related materials

Influence of steel roughness on internal and external corrosion of tinplate cans

J. Hollaender1989-07-01Packaging Technology and Science

Abstract Reductions in tin coatings and thickness of tinplate affect the properties of the tinplate surfaces. Computer‐aided electrochemical test methods, impedance spectroscopy and X‐ray microanalytical studies show that corrosion behaviour is influenced by the base material properties. This paper will give some info…

Corrosion Behavior and InhibitionConcrete Corrosion and DurabilityNon-Destructive Testing Techniques

Cigarettes with Low Propensity to Ignite Soft Furnishings

J Krásný、Richard H. Harris、Richard S. Levine 等 4 位作者1989-07-01Journal of Fire Sciences

This paper describes some of the results of a two and a half year, Congressionally-mandated effort to identify cigarettes with properties that would reduce their propensity to ignite soft furnishings (upholstered furniture and mattresses). For this purpose, the ignition propensities of 41 specially designed and 5 pate…

Textile materials and evaluations

Syntheses of Fluoroalkyl and Fluoroaryl Titanates

Norio Yoshino、Junko Tomita、Hidefumi Hirai1989-07-01Bulletin of the Chemical Society of Japan

Abstract Tetrakis(1H,1H-perfluoroethyl) titanate, Ti(OCH2CF3)4, tetrakis(1H,1H-perfluoropropyl) titanate, Ti(OCH2CF2CF3)4, tetrakis(2,2,2-trifluoro-1-methylethyl) titanate, Ti[OCH(CH3)CF3]4, tetrakis(2,2,2-trifluoro-1,1-dimethylethyl) titanate, Ti[OC(CH3)2CF3]4, tetrakis((1H,1H,3H-perfluoropropyl) titanate, Ti(OCH2CF2…

Carbon dioxide utilization in catalysisCatalysis and Oxidation ReactionsSilicone and Siloxane Chemistry

79,81Br−127I−NQR, and Crystal Structure of Glycyl-l-alanine Hydrobromide Monohydrate and Hydroiodide Monohydrate

Armin Kehrer、Shi-qi Dou、Alarich Weiß1989-07-01Zeitschrift für Naturforschung A

Abstract The crystal structures of glycyl-l-alanine hydrobromide monohydrate, 1, and glycyl-l-alanine hydroiodide monohydrate, 2, were determined and the temperature dependence of the 127 I NQR frequencies was investigated in the temperature range 77 <̳T/K <̳ 370. The 127 I NQR frequencies are strongly influence…

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