Materials Literature
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Benchmark ab initio calculations at the correlated level are reported for ten isomers of the uracil dimer (U.U): six are doubly N-H...O hydrogen bonded, three have a C-H...O and an N-H...O hydrogen bond, and one is doubly C-H...O hydrogen bonded. Their structures were optimized at the correlated level by using second-…
Abstract This article presents the study of melt compounding of polystyrene (PS) with various types of titanium dioxide (TiO 2 ) nanoparticles and surfactants, using a corotating twin screw extruder with multiple screw element configurations. It was found that a properly designed high shear screw configuration and the…
The effect of interlayer distance of nanoclay on mechanical properties, cure characteristics, and swelling resistance of natural rubber (NR) in varying clay proportion were studied. X-ray diffraction results of nanocomposite with 10 phr of nanoclay showed the formation of an intercalated structure. The rate of vulcani…
Non-toxic allergy free alloying elements are mostly selected for preparing metallic biomaterials. Currently, functionalities such as low modulus, shape memory, super elasticity, etc. are required for the metallic biomaterials, especially for β type titanium alloys. The harmonization of metallic, ceramic, and polymer b…
The electronic structures of deformed nanographite ribbons are calculated from the Huckel tight-binding model. They strongly depend on the uniaxial strain and the ribbon geometry (edge structure and width). The uniaxial strain significantly affects the subband spacings and the energy dispersions. A monotonous relation…
A nonthermal, atmospheric pressure, packed-bed plasma reactor has been used to study the effect of temperature on the plasma−catalytic destruction of toluene and benzene in air. The plasma reactor was packed with BaTiO 3 beads to which TiO 2, γ-Al 2 O 3, and Ag, Pt, or Pd impregnated catalysts were added. The reactor…
Abstract Based on green chemistry, a simple and efficient direct synthesis of 4‐(4′‐hydroxyaryl)(2 H )phthalazin‐1‐ones ( 2a–2f ) was developed in a two‐step reaction, in which the Friedel–Crafts acylation reaction of six phenols with phthalic anhydride was initially carried out and then followed by cyclization with h…
Experimental results from spall tests on aluminum reveal the presence of a dense dislocation structure in an annulus around a void that grew under the tensile pulse when a shock wave was reflected at the free surface of the specimen. The proposition is that dislocation emission from the void surface under load is a vi…
Based on persistent energy transfer, Mn2+ activated red phosphorescence is achieved in BaMg2Si2O7. Two types of Mn2+ centers with emitting peaks at 620 and 675nm, respectively, are observed and found to govern both the red luminescence and red phosphorescence spectral shapes. The spectral distribution of the red phosp…
Abstract Gelators are compounds capable of solidifying various solvents and water. Organic gels, and in particular hydrogels, are interesting soft materials with many potential applications. In this paper the formation of luminescent gels in water and dimethylformamide as solvents is reported. The gels are prepared by…
Abstract Solvation structures of the lithium cation and tetrafluorobrate anion in dimethyl sulfoxide (DMSO) were investigated by Raman spectroscopy and a b initio calculations at various salt concentrations. The SO and CS stretching bands were used to monitor the structural change of the solvation shell. It has been…
It is well known that microstructural changes occur in a steel bearing, when the bearing is operated under conditions involving high cyclic stresses. When combined with relatively high temperatures, such microstructural changes result in the flaking of the bearing raceway. In this paper, microstructural changes that o…
Demands for highly corrosion resistant coated steel are growing. As a result, Zn-Al-Mg coatings were developed. The possibilities of these coatings were investigated and the thermodynamics of the Zn-rich corner of the Zn-Al-Mg system were modelled. Different Zn-Al-Mgcoatings were produced and the microstructure was st…
Abstract The synthesis, characterization, and photophysical properties of a series of supramolecular triads consisting of a tin(IV) porphyrin with axial ligands of ortho ‐, meta ‐, and para ‐hydroxyphenyl naphthalenediimides are presented. For the meta ‐ and para ‐hydroxyphenyl derivatives, efficient and solvent‐visco…
Abstract A chemical solution synthesis technique incorporating barium titanate and a high‐temperature liquid phase is developed. In a temperature range conventional to thin‐film growth, the presence of the liquid phase dramatically enhances grain growth, densification, and overall crystalline quality. By controlling t…
Time-resolved spectroscopy has been used to investigate the vibrational properties of hollow cubic nanoparticles: Au-Ag nanoboxes and nanocages. In these experiments, laser-induced heating was used to coherently excite the breathing vibrational modes of the particle. The vibrational periods scale with the edge length…
Mn-doped Ga2O3 thin film showing room temperature ferromagnetism has been grown on a sapphire (0001) plane by using a pulsed-laser deposition technique. The microstructure of the Mn-doped film is investigated in detail using selected-area electron diffraction, high-resolution transmission electron microscopy (HRTEM),…
Carbon nanotubes were used to induce the formation of spherical vaterite crystals and stabilize the metastable crystals in the biomimetic mineralization of CaCO3 for the first time. It was found that carboxyl-functionalized multiwalled/single-walled carbon nanotubes (MWNT-COOH/SWNT-COOH) can favor the formation of sph…
Abstract CuAl–LDH has been prepared and applied, for the first time, in the homocoupling reaction of a variety of terminal alkynes at room temperature. The Cu (II) in the host layers of the hydrotalcite exhibits high activity and the catalyst can be easily recovered and reused for eight cycles without depreciation of…
We present an improved quantum mechanical (QM) and molecular mechanical (MM) coupling method for the study of metallic systems. The improved method is based on the earlier work of Choly et al (2005 Phys. Rev. B 71 094101). In this approach, quantum mechanical treatment is spatially confined to a small region, surround…