Materials Literature
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A predictive model was developed for uniform carbon dioxide (CO2) corrosion, based on modeling of individual electrochemical reactions in a water-CO2 system. The model takes into account the electrochemical reactions of hydrogen ion (H+) reduction, carbonic acid (H2CO3) reduction, direct water reduction, oxygen reduct…
We present mathematical results which dramatically enhance the computational efficiency of the phase-field method for modeling the solidification of a pure material. These results make it possible to resolve a smaller capillary length to interface thickness ratio and thus render smaller undercooling and three-dimensio…
The coupled-wave method formulated by Moharam and Gaylord [ J. Opt. Soc. Am.73, 451 ( 1983)] is known to be slowly converging, especially for TM polarization of metallic lamellar gratings. The slow convergence rate has been analyzed in detail by Li and Haggans [ J. Opt. Soc. Am. A10, 1184 ( 1993)], who made clear that…
Carbon nanotubes subject to large deformations reversibly switch into different morphological patterns. Each shape change corresponds to an abrupt release of energy and a singularity in the stress-strain curve. These transformations, simulated using a realistic many-body potential, are explained by a continuum shell m…
Publised data on the activity and selectivity of titanium-containing catalysts of esterification and transesterification reactions are surveyed. The influence of the nature of ligand and of the composition of the medium on the activity of catalysts is shown. The selectivity of the catalysts is considered from the view…
The characteristic features of the synthesis and properties of cardo polyheteroarylenes (polyarylates, aromatic polyethers, polyamides, polyimides, polyoxadiazoles, and others) are examined and surveyed. It is shown that cardo polymers containing bulky side-groups, linked via cyclic groups to the polymer main chain, h…
Molecular dynamics calculations and optical spectroscopy measurements of weakly active infrared modes are reported. The results are qualitatively understood in terms of the "motional diminishing" of IR lines, a process analogous to the motional narrowing of a nuclear magnetic resonance (NMR) signal. In molecular solid…
Alkaline-sulphate activation processes of a Spanish granulated blast furnace slag (Avilés, Ensidesa) have been studied. Activator solutions used were: deionized water (as reference solution), Ca(OH)2 (3,5∙10-3N), NaOH (1N), Na2CO3 (2N), CaSO4∙2H2O (3,0∙10-3N) at 25ºC. The influence of the nature of alkaline or sulphat…
Algae are ubiquitous; a multitude of species ranging from microscopic unicells to gigantic kelps inhabit the world's oceans, freshwater bodies, soils, rocks, and trees, and are responsible for most of the global production of organic matter by photosynthesis. They thus play a fundamental role in the world's ecosystems…
Poly(ethylene terephthalate) (PET) is a useful high-temperature plastic. Its shortcoming is that it has poor impact-strength properties. The impact strength of this polymer was dramatically improved by blending with a copolyester thermoplastic elastomer, or an acrylate core/shell elastomer. The addition of triphenyl p…
We report the first very low temperature (from 93 mK to 7.3 K) specific heat data of a modulated incommensurate dielectric (Cl${\mathrm{C}}_{6}$${\mathrm{H}}_{4}$${)}_{2}$S${\mathrm{O}}_{2}$. They reveal three different contributions in excess of that of normal acoustic phonons: low frequency excitations predominant b…
We have examined structural instabilities and elastic anomalies in CuCl via first-principles calculations and find that its crystal structure is not ideal zinc blende but that correlated displacements of groups of four Cu atoms lead to a more stable configuration. About 20% of the Cu atoms are estimated to be affected…
We develop a microscopic model for the mixed alkali effect in crystals of the $\ensuremath{\beta}$- and ${\ensuremath{\beta}}^{\ensuremath{'}\ensuremath{'}}$-alumina type, which is based on the formation of certain mobile defects and the fact that different types of mobile ions have a different preference to become pa…
We present calculations using a simple model of radiative recombination in 2D slabs, 1D wires, and 0D spheres of hydrogenated amorphous silicon (a-Si:H) showing a significant size dependence of the photoluminescence. Room-temperature peak emission energies ≳1.8 eV and efficiencies near unity are possible in a-Si:H sph…
These results reflect what is believed to be the first observation of electron emission from carbon-doped boron nitride (BN). The n-type BN films were synthesized on n-type polycrystalline diamond on (100)Si using reactive laser ablation. The electron emission current density measured at room temperature shows a power…
Simple shearing flow of a dry soap foam composed of identical Kelvin cells is analysed. An undeformed Kelvin cell has six planar quadrilateral faces with curved edges and eight non-planar hexagonal faces with zero mean curvature. The elastic-plastic response of the foam is modelled by determining the bubble shape that…
We introduce a new methodology to vitrify thin, freely suspended liquid films containing a single layer of nanometer sized particles. The procedure relies on the precise optical control of the stepwise film thinning (stratification) process. We illustrate the applicability of the method to three different types of par…
We report nanometer-sized silicon (Si) crystallites prepared by excimer laser ablation in constant pressure inert gas ambient. Size distribution of the Si ultrafine particles depends on the pressure of inert gas ambients. The relation between the average size and the ambient pressure can be explained by an inertia flu…
Experimental studies show that the density of a vibrated granular material evolves from a low density initial state into a higher density final steady state. The relaxation towards the final density value follows an inverse logarithmic law. We propose a simple stochastic adsorption-desorption process which captures th…
Band structures of C60-polymers are studied changing conjugation conditions and the electron number. We use a Su-Schrieffer-Heeger type semiempirical model. In the neutral C60-polymer, electronic structures change among direct-gap insulator and the metal, depending on the degree of conjugations. The C60-polymer doped…