Materials Literature
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Using a global optimization approach that directly searches for the composition of greatest stability, we have been able to find the particularly stable structures for binary Lennard-Jones clusters with up to 100 atoms for a range of Lennard-Jones parameters. In particular, we have shown that just having atoms of diff…
The ${\mathrm{Fe}}^{3+}$ center in ferroelectric $\mathrm{Pb}\mathrm{Ti}{\mathrm{O}}_{3}$ together with an oxygen vacancy forms a charged defect associate, oriented along the crystallographic $c$ axis. Its microscopic structure has been analyzed in detail comparing results from a semiempirical Newman superposition mod…
The use of new shell cross-linked micelles as pH-responsive particulate emulsifiers is described for the first time. 1-Undecanol-in-water emulsions of 18 mum diameter are formed at pH 8, whereas complete demulsification occurs at pH 2.
Reversible optical control of protein structure and function offers the possibility of probing and manipulating individual proteins within the complex environment of a living cell. As a first step toward creating artificial photocontrolled proteins, we have designed and synthesized reversible, photocontrolled peptide…
The ability to control and enhance the response of polyaniline nanofibers to molecules such as hydrogen sulfide is demonstrated through the formation of nanostructured, conducting organic/inorganic hybrid materials. Polyaniline nanofiber composites with transition-metal chlorides have remarkable responses to hydrogen…
As the most important skeletal component in plants, the polysaccharide cellulose is an almost inexhaustible polymeric raw material with fascinating structure and properties. Formed by the repeated connection of D-glucose building blocks, the highly functionalized, linear stiff-chain homopolymer is characterized by its…
The crystal structure of 1,2:3,4-dibenzanthracene, C22H14, was solved by simulated annealing from laboratory X-ray powder diffraction data collected at room temperature to 1.8 Å resolution. Subsequent Rietveld refinement yielded an Rwp value of 0.036. The molecules crystallize in space group P21 with two independent m…
Abstract The shear viscosity, extensional viscosity, and die swell of the PTT melt were investigated using a capillary rheometer. The results showed that the PTT melt was a typical pseudoplastic fluid exhibiting shear thinning and extensional thinning phenomena in capillary flow. There existed no melt fracture phenome…
Nanowires of antimony (Sb) with diameters ranging from 90 down to 20 nm have been synthesized by electrodeposition within nanoporous polycarbonate membrane. The salient point of the present work is the detailed examination of each wire individually giving evidence of their good quality. The growth morphology, crystall…
The structure of AgCd2GaS4, known from powder data, has been redetermined by means of single-crystal X-ray diffraction. The structure can be described as a superstructure of wurtzite. All metal atoms are in a slightly distorted tetrahedral environment formed by the S atoms. The Ag, the Ga and two S atoms are situated…
A mathematical model is proposed for predicting the copolymer composition of the microbially synthesized polyhydroxyalkanoate (PHA) copolymers. Based on the biochemical reactions involved in the precursor formation and polymerization pathways, the model correlates the copolymer composition with the cultivation conditi…
An explanation is proposed for spontaneous magnetism in the material, ``carbon nanofoam,'' in terms of random ferrimagnetism. Wherever a carbon nanotube branches out, an electron trap is created at the junction. Electrons occupying neighboring junctions align their spins antiparallel. Given that there are more sites o…
Abstract The effect of molecular weight of poly(ε‐caprolactone) (PCL) on the formation and stability of inclusion complexes (ICs) between α‐cyclodextrin (α‐CD) and PCL was investigated by FTIR, WAXD, and DSC measurements. ICs between α‐CD and PCLs with a wide range of number‐average molecular weight, M n = 1.21 × 10 4…
The microstructures and dielectric properties of multilayer ceramic capacitors based on reoxidized Ba(Ti 0.88 ,Zr 0.12 )O 3 (BTZ) materials with Ni electrodes were studied using transmission electron microscopy. Dielectric measurements showed that the BTZ materials exhibited frequency relaxation effects. Although X‐ra…
For potential ultrafast optical sensor application, both VO2 thin films andnanocomposite crystal-Si enriched SiO2 thin films grown on fused quartz substrates weresuccessfully prepared using pulsed laser deposition (PLD) and RF co-sputteringtechniques. In photoluminescence (PL) measurement c-Si/SiO2 film containsnanopa…
Silicon nitride–silicon carbide nanocomposite has been prepared by an in situ method that utilizes C+SiO 2 carbo‐thermal reduction during the sintering process. The developed material is nearly defect free and consists of a silicon nitride matrix with an average grain size of approximately 200 nm with inter‐ and intra…
Abstract Nylon 6,6 resins, in the form of pellets, were solid state polymerized in the temperature range of 160–200°C in a fixed‐bed reactor under flowing nitrogen for times of 0–4 h. The kinetics of the solid state polymerization (SSP) of nylon 6,6 were examined by the evaluation of pertinent rate expressions and the…
The progress in the preparation of metastable Fe-Cu alloys has recently enabled the experimental determination their magnetic and volume related properties over a wide range of alloy compositions. In this paper we discuss the results of these experiments on the basis of our first-principles calculations. The origin of…
A numerical simulation study of the intersection process of a moving ½[110] screw dislocation with a perfect stacking-fault tetrahedron (SFT) in an fcc nickel crystal is carried out using molecular dynamics for different many-body potentials. When the glide plane of the screw dislocation coincides with one of the plan…
Flexure strength and fracture toughness of zirconia–alumina composites, fabricated by hot pressing 10 mol% yttria‐stabilized zirconia (10‐YSZ) reinforced with 0–30 mol% alumina particulates or platelets, were determined as a function of alumina content at 1000°C in air. Both strength and fracture toughness of the two…