Materials Literature
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The equilibrium shape of strained InAs quantum dots grown epitaxially on a GaAs(001) substrate is derived as a function of volume. InAs surface energies are calculated within density-functional theory, and a continuum approach is applied for the elastic relaxation energies.
Six-dimensional quantum dynamical calculations of the scattering of H_2 from a Pd(100) surface using a potential energy surface derived from density-functional theory calculations are presented. Due to the corrugation and anisotropy of the PES strong off-specular and rotationally inelastic diffraction is found. The de…
Ab initio molecular dynamics calculations of deuterium desorbing from Si(100) have been performed in order to monitor the energy redistribution among the hydrogen and silicon degrees of freedom during the desorption process. The calculations show that part of the potential energy at the transition state to desorption…
First principles calculations show that H overlayers induce a honeycomb vacancy reconstruction on Al(111). Above one ML H coverage, Al(111) facets into surfaces vicinal to (111), with {100} faceted single and double steps and vacancies on the {111} terraces. These H induced reconstructions are stable because H binds m…
Rod-coil block copolymers are self-assembling polymers that combine the physics of orientational ordering of rodlike polymers and the microphase separation of coil-coil block copolymers. Several new solid-state morphologies were observed in a series of anionically synthesized model poly(hexyl isocyanate-b-styrene) rod…
In the present paper we report studies on metal-polyaniline (PAn) Schottky junctions where PAn is doped with various dopants such as hydrochloric acid (HCl), formic acid (HCOOH), iodine (I2) and methylene blue (C16H18N3SCl). The I-V characteristics for the different Schottky junctions have been reported. Electronic pa…
Two-component polyurethane flame retardant coatings were prepared by blending 2,3-dibromo modified polyesters (2,3-DBPOs) and polyisocyanate. 2,3-DBPOs were synthesized by polycondensation of 2,3-dibromopropanoic acid, a flame retardant aliphatic carboxylic acid, with 1,4-butanediol, trimethylolpropane, and adipic aci…
The relaxation behavior of poly(phenylene sulfide) (PPS) RytonTM film has been studied as a function of annealing temperatures, Ta, ranging from 30°C to 140°C. Previously, this type of semicrystalline PPS film was shown to possess a very large fraction of constrained, or rigid, amorphous chains. Here we investigate re…
Effect of Viscosity ratio (ηEPR/ηPP), propylene (C3) content of (ethylene-propylene copolymer (EPR)), and peroxide/coagent treatment on polypropylene (PP)/EPR (80/20 by weight) melt blends were studied in terms of morphological, rheological, thermal, and mechanical properties. As the viscosity ratio increases from app…
The synthesis is described of some aromatic polyamides based on unsubstituted, and methyl-, carboxy-, and sulfo-substituted diamines by interfacial polycondensation. Some of them are crosslinked and some of them contain heterocyclic aromatic rings. Their chemical structures are characterized by IR and 13C solid-state…
The effect of press-drying temperature on the surface chemistry of chimicothernomechanical pulp fibers has been studied using electron spectroscopy for chemical analysis (ESCA). The chemical composition showed no significant variation for press-dried samples at temperatures between 25 and 140°C. On the other hand, ESC…
Homopolyamic acids and copolyamic acids were prepared from four dianhydrides and three diamines. Copolyimides could be arranged in sequence through different reaction processes, such as alternating, block, and random. Polyamic acids were subsequently converted into corresponding polyimides by the solid-phase imidizati…
The relationship between vulcanization reactivity and chemical structure was studied using a rheometer and DSC for natural rubber (SMR 5CV), butadiene rubber (BR 01), styrene-butadiene rubber (SBR 1501), and their blends. The overall rate of the vulcanization was SBR > BR > NR. This was the same trend as the number of…
Vulcanization kinetics for a natural rubber compound were studied by a kinetic approach using the cure meter and DSC methods. A simplified but realistic model reaction scheme was used to simulate induction, curing, and overcure periods continuously. Physically significant parameters of the model were extracted from is…
Variational quantum Monte Carlo calculations are reported for the bulk GaAs semiconductor in order to present values for the ground-state energy, the lattice constant, the bulk modulus, and some derived properties. The statistical accuracy is significantly higher than the remaining differences to the experimental valu…
FUNDAMENTALS OF METALLIC CORROSION: ATMOSPHERIC AND MEDIA CORROSION OF METALS Fundamentals of Metallic Corrosion Atmospheric Corrosion Corrosion of Carbon and Low-Alloy Steels Corrosion of Cast Iron and Cast Steel Introduction to Stainless Steel Corrosion of Stainless Steels Ferritic Stainless Steel Family Superferrit…
Two series of the samples of the ferrite system MnAlxFe2-xxO4 were prepared using the usual ceramic technique and sintered at 1200 and 1350 °C for 6 h, respectively. X-ray and IR spectral analyses for the two series were studied. The true lattice parameters were calculated for the two series and were found to decrease…
Ferroelectric thick PZT coatings have been produced with rhombohedral crystalline structure by plasma-spraying of PZT powder (x = 0.58) and post-deposition thermal treatment. The correlation of the crystalline phase composition and the morphological structure with the electrical properties was studied in dependence on…
4-Methylpyridinium hydrogen sulfide, C6H7NH+.HS−, was obtained as a by-product of the reaction between GaCl3 and thioglycolic acid in a 4-methylpyridine solution. The compound consists of heterocyclic C6H7NH+ cationic rings and HS− anions. Both the C6H7NH+ cation and the HS− anion lie on crystallographic mirror plane…
The title compound, C7H5NO3, constitutes the simplest aromatic nitrocarbonyl system whose class of structures is commonly investigated for photochromic behavior. The nitro and aldehyde groups of p-nitrobenzaldehyde are coplanar with the plane of the arene ring.