Materials Literature
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Abstract Since silica has strong filler–filler interactions and adsorbs polar materials, a silica‐filled rubber compound wil have poor dispersion of the filler and a poor cure characteristic. Improvement of properties of silica‐filled styrene‐butadiene rubber (SBR) compounds has been studied using emulsion SBR‐based a…
Nodal admittance matrix models are obtained for wye-connected three-phase transformers with various grounding impedance configurations. The derivations have been performed using computational symbolic algebra, avoiding the necessity for simplifying assumptions. An original model for the general case of a wye-wye trans…
Smooth and nonswelling spherical silica particles with a diameter of 100 nm and an aminopropyl coating are soluble in water at pH 11, coagulate quickly at pH 3, and redissolve at pH 9. Electron microscopy as well as visible spectra of covalently attached porphyrins indicate the aggregation state of the particles. Long…
The dipole (hyper)polarizability of the copper dimer has been obtained from conventional ab initio and density functional theory calculations. A very large (23s16p12d6f) basis set consisting of 346 Gaussian-type functions is thought to provide reference results of near-Hartree−Fock quality for all properties. We obtai…
We study a system of electrons interacting through long-range Coulomb forces on a one-dimensional lattice, by means of a variational ansatz which is the strong-coupling counterpart of the Gutzwiller wave function. Our aim is to describe the quantum analogue of Hubbard's classical ``generalized Wigner crystal.'' We fir…
To search for new ferroelectric materials exhibiting an Aurivillius structural type, the syntheses of the solid solution Bi 2 Mo 1 - x W x O 6 has been undertaken. A phase with a large homogeneity range exists for 0.5 < x ≤ 1.0. The thermal behavior of mechanochemically assisted precursor powders has been studied, sho…
The complex formation between a monolayer consisting of strong polyelectrolyte molecules covalently attached to a solid surface and an oppositely charged strong polyelectrolyte in solution is studied. The surface-attached polyelectrolyte molecules are grown in situ on the substrate using a surface-initiated polymeriza…
The influences of the nature of reactants and water on the self-assembly of cationic Cu(II) complex structures containing N-(2-pyridylmethyl)glycine (Hpgly) and N-(2-pyridylmethyl)-l-alanine (Hpala) ligands have been investigated. A metallamacrocycle [Cu(6)(pgly)(3)(spgly)(3)] (ClO(4))(6).9H(2)O has been formed by the…
The effect of the application of an external magnetic field in the paramagnetic phase of the giant magnetocaloric compound ${\mathrm{Tb}}_{5}{\mathrm{Si}}_{2}{\mathrm{Ge}}_{2}$ has been studied by means of macroscopic (magnetostriction and magnetoresistance) and microscopic neutron powder diffraction experiments. As a…
Abstract The redox behavior has been characterized for several actinide ( An ) complexes with the monovacant Wells−Dawson anion, of the form [ An n + (α‐2‐P 2 W 17 O 61 ) 2 ] n −20 ( An = Th 4+ , U 4+ , Np 4+ , Pu 4+ , and Am 3+ ). Two complexes, with An = U 4+ and Am 3+ , show redox activity under oxidizing condition…
Abstract The interpenetrating network matrices of epoxy and cyanate ester was made using epoxy resin and three different cyanate ester monomers namely 1,1‐bis(3‐methyl‐4‐cyanatophenyl) cyclohexane, bisphenol dicyanate and 1,3‐dicyanatobenzene and cured by using diaminodiphenylmethane. Epoxy modified with 4, 8 and 12%…
A series of cyano-bridged Ni(II)-Cr(I/III) complexes have been synthesized by the reactions of hexaazacyclic Ni(II) complexes with [Cr(CN)(6)](3-) or [Cr(CN)(5)(NO)](3-). Using the tetravalent Ni(II) complex [Ni(H(2)L(2))](4+) (L(2) = 3,10-bis(2-aminoethyl)-1,3,6,8,10,12-hexaazacyclotetradecane), one-dimensional chain…
The number and nature of silanol groups could be estimated in mesoporous silica prepared with cetyltrimethylammonium bromide (CTMBr) in acidic medium to obtain a material appropriate as a stationary chromatographic phase, using thermogravimetric analysis (TGA) and diffuse reflectance infrared spectroscopy (DRIFT). The…
A novel method for the production of homogeneous samples of hollow carbon nanospheres is reported from cellulose, an inexpensive and renewable precursor. The nanospheres are of diameter 50 nm, graphitic wall thickness 5-10 nm, and can easily be produced in several hundred milligram batches. The nanospheres are derived…
First-principles local-density approximation calculations of the piezoelectric response of $\mathrm{Pb}({\mathrm{Zr}}_{0.5}{\mathrm{Ti}}_{0.5}){\mathrm{O}}_{3}$ (PZT 50/50) are presented for tetragonal and monoclinic phases. We use the linearized augmented plane wave with the local orbital extension method and [001]1:…
A comprehensive, structural and functional, in silico analysis of the medium-chain dehydrogenase/reductase (MDR) superfamily, including 583 proteins, was carried out by use of extensive database mining and the blastp program in an iterative manner to identify all known members of the superfamily. Based on phylogenetic…
The chemisorption of NO 2 on carbon nanotubes is studied by modeling the interaction between NO 2 and N 2 O 4 with an infinitely long (8,0) single-walled carbon nanotube, using planewave/pseudopotential-based density functional theory (DFT). In sharp contrast to the case of graphite, for which NO 2 adsorption is physi…
We report an x-ray diffraction (XRD) analysis of the structural transformation from single-wall carbon nanotubes (SWNTs) to double-wall carbon nanotubes (DWNTs) via ${\mathrm{C}}_{60}$-encapsulating SWNTs $({\mathrm{C}}_{60}$ peapods). It was shown that the bundle structure of the starting SWNTs retains on this proces…
A tetraphenylporphyrin (1b) bearing amide groups at the 3,5-positions of the meso-phenyl groups is assembled into a two-dimensional sheetlike structure and acts as an organogelator. When [60]fullerene was added, the sheetlike structure was dramatically changed into a one-dimensional fibrous structure, and both the gel…
Local structure of the Fe-doped La$_{1-x}$Ca$_{x}$MnO$_{3}$ (x=0.00-1.00) compounds has been investigated by means of Mössbauer spectroscopy. $^{57}$Fe Mössbauer spectra provide a direct evidence of Jahn-Teller distortion in these manganites. On the basis of Mössbauer results, the Jahn-Teller coupling was estimated. I…