Materials Literature
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Surface tension effects on the behavior of a pure vapor cavity or a cavity containing some noncondensible contents, which is growing, collapsing, and rebounding axisymmetrically near a rigid wall, are investigated numerically by the boundary integral method for different values of dimensionless stand-off parameter gam…
A method is presented for patterning polymers with nanoscale gold networks and using the pattern to measure strain in the polymer. A gold film is first coated on a porous alumina template. After coating, the template is impressed into a polymer, and the template is dissolved to leave a continuous metal network on or s…
Shear-induced smectic ordering and crystallisation of isotactic polypropylene (iPP) has been studied with in-situ small- and wide-angle X-ray scattering. Shear-induced smectic bundles with a periodicity of about 4 nm have been observed at temperatures below as well as above the melting point. This applies to iPP of di…
Textured silicon solar cells have been generally studied in the geometrical optics approximation. This description predicts no dependence of reflectance or other optical properties on the size of the texture pyramids. In this work textures are represented as two-dimensional periodic diffraction gratings and their opti…
Ordered nanoporous plastics with hydrophilic pore surfaces were prepared by the degradative removal of polylactide from a self-organised, multi-component composite containing two block copolymers: polystyrene-polylactide and polystyrene-polyethylene oxide. The solid-state characterization of blends containing up to 12…
Classical molecular dynamics simulations of the interaction of edge dislocations with precipitates in α-iron are performed. The critical resolved shear stress (CRSS) is determined for various morphologies of precipitates: pure copper and nickel precipitates, ordered and unordered copper/nickel precipitates, copper and…
Comparative studies on the voltammetric reduction of the alpha and gamma isomers of Dawson [S(2)W(18)O(62)](4)(-) and alpha, beta, and gamma forms of Keggin [SiW(12)O(40)](4)(-) polyoxometalate anions have been undertaken. For the six reversible one-electron [S(2)W(18)O(62)](4)(-)(/5)(-)(/6)(-)(/7)(-)(/8)(-)(/9)(-)(/1…
The band gap of half-metallic ferromagnets can be affected by the spin–orbit coupling, which introduces there a small, but non-vanishing, density of states. We study this effect in the case of Heusler alloys. We find that, as a rule, the spin polarization in the middle of the gap decreases for compounds of heavier ele…
With the development of new types of liquid crystal displays and the use of liquid crystals as organic semiconductors, homeotropic alignment layers have become more and more important. Liquid crystalline polymer (LCP) brushes have been suggested as an alignment layer and are expected to have more interaction with the…
The structure of two Thermotoga maritima proteins, a conserved hypothetical protein (TM0160) and a transcriptional regulator (TM1171), have now been determined at 1.9 A and 2.3 A resolution, respectively, as part of a large-scale structural genomics project. Our first efforts to crystallize full-length versions of the…
Using density functional theory calculations, we have investigated the adsorption and diffusion of oxygen species on the reduced ${\mathrm{TiO}}_{2}(110)$ surface. We have found that molecular ${\mathrm{O}}_{2}$ strongly binds not only to O vacancies, but also to $\mathrm{Ti}(5c)$ neighbors, due to delocalization of u…
pH dependent self-association has been observed in a series of DO3A-derived lanthanide complexes bearing a carboxylate group that can act as a bridging ligand at high pH, switching on the luminescence from the lanthanide.
In previous research, it was found that melamine-formaldehyde resin can be used as a binder for a hydroxy-functional organophosphorus flame retarding agent (FR) on cotton. The role that trimethylol melamine (TMM) plays in this flame retarding system was studied. When TMM is applied to cotton, it forms crosslinks betwe…
Surfactant-stabilized polystyrene (PS) latex particles with a mean hydrodynamic diameter of 155 nm were prepared by aqueous emulsion polymerization using 2,2'-azobis(2-amidinopropane) hydrochloride as a cationic radical initiator. Seeded aqueous emulsion copolymerizations of 2-(dimethylamino)ethyl methacrylate (DMA) a…
Reorganization of semicrystalline polymers on heating is a fast process. For poly(ethylene terephthalate) (PET) heating rates of several thousand Kelvin per second are needed to prevent reorganization of unstable crystals. Utilizing a thin film vacuum gauge as a fast calorimeter we are able to extend the scanning rate…
Abstract Summary: Halogen‐free, flame retardant low density polyethylene (LDPE) composites, using magnesium hydroxide sulfate hydrate (MHSH) whiskers as a flame retardant, combined with microencapsulated red phosphorous (MRP) as a synergist, have been prepared using a two‐roll mill. Their fire properties were determin…
Bombyx mori silk fibroin molecule is known to exist in two distinct structural forms: silk I (unprocessed silk fibroin) and silk II (processed silk fibroin). Using synthetic peptides, we attempt to explore the structural role played by Ser and Tyr residues on the appearance of silk I structural form of the fibroin. Tw…
Unrestricted density functional calculations in combination with the broken-symmetry approach and spin-projection methods have been employed to study a series of formally 4n pi antiaromatic linear and angular polyheteroacenes. Calculations show that the linear polyheteroacene molecules have either stable singlet zwitt…
In the chemical reduction of copper ions in mixed reverse micelles it is found that a large excess of reducing agent favors the production of a new generation of copper nanocrystals. At low reducing agent concentration, nanocrystals are mostly spherical, while in the supersaturated regime, they have various shapes suc…
The energetics and electronic structures of basal-plane stacking faults in wurtzite (WZ) ZnO are studied using first-principles density-functional total energy calculations. All the basal-plane stacking faults are found to have very low formations energies. They also introduce a downward shift at the conduction-band m…