Materials Literature
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Abstract Vinyl‐terminated isotactic polystyrene macromonomers were copolymerized with ethylene and 1‐octene to new polyolefin graft copolymers with crystallizable polystyrene side chains. The iPS content was varied from 4 to 78 wt.‐% using different metallocene and halfsandwich catalysts. No solubility problems of the…
We have investigated the effect of cold drawing on the motion of phenylene rings in bisphenol-A polycarbonate by neutron scattering. The intensity scattered by isotropic and stretched polycarbonate is different, the quasielastic broadening being larger for the isotropic sample. This difference can be well accounted fo…
Polarization switching in ferroelectric polymers is studied using a multiscale framework. A continuum Landau-Ginzburg-Devonshire model for a first-order phase transition is parametrized for ideal all trans chains of P(VDF-TrFE) (70:30) copolymers using data obtained from molecular-dynamics (MD) simulations. Thermal fl…
Density functional theory was used to estimate the third-order hypersusceptibility chi (3) of the alpha-TeO2 paratellurite (as a model structure for TeO2 glass) and the same value for alpha-SiO2 cristobalite (as a model structure for glassy silica). The attempt was made to gain a physical insight into the nature of th…
Zirconium phosphate (ZrP 2 O 7 ) powder is synthesized by direct reaction between ZrO 2 and H 3 PO 4 and is used to prepare ZrP 2 O 7 ceramics with MgO and Al 2 O 3 as the sintering additives by pressureless sintering technique. The mechanism of reaction between ZrO 2 and H 3 PO 4 is analyzed. The results suggest that…
The electronic structures of zigzag bilayer graphite nanoribbons (Z-BGNRs) with various ribbon widths N are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude γ 4 , which is an order of magnitude smaller than the other inter-layer hopping parameters, there exist two fixed Ferm…
Transitional metal doped ZnO is a good candidate for dilute magnetic semiconductors possessing high Curie temperature ferromagnetism. The local atomic configuration of dopant elements in ZnO is an important issue for understanding their ferromagnetic mechanism. In this work Co, Mn, and Cu doped ZnO nanoparticles with…
The total scattering structure factor of liquid tin tetraiodide (SnI(4)) has been interpreted by means of reverse Monte Carlo (RMC) modeling. From the sets of particle coordinates provided by RMC, which are consistent with experimental results within errors, partial radial distribution functions as well as correlation…
The density functional restricted-unrestricted approach for treatments of spin polarization effects in molecular properties using spin restricted Kohn-Sham theory has been extended from linear to nonlinear properties. It is shown that the spin polarization contribution to a nonlinear property has the form of a quadrat…
This paper questions the mode of collapse of some simple softening nonlocal structural systems comprising the classical cantilever beam. Nanobeams can be concerned by such an elementary model. The homogeneous cantilever beam loaded by a concentrated force at its extremity is first considered as a structural paradigm.…
Intense and broad visible photoluminescent (PL) band was observed at room temperature in disordered Pb(Zr0.53Ti0.47)O3 powders. Structural order-disorder was evaluated by different methods. XANES results pointed to the presence of different coordination modes of disordered Ti powders, and in the ordered sample the loc…
A facile one-pot synthesis route for preparation of a well-ordered cubic mesoporous silica SBA-1 functionalized with -COOH functional groups is reported for the first time. The results of 29Si{1H} HETCOR NMR provide direct evidence for the interactions between the carboxylic acid and silanol groups in carboxylic acid…
The electronic and magnetic properties of the delafossite ${\text{CuFeO}}_{2}$ are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation, as well as the new full-potential augmented spherical wave method. The calculation…
Abstract Polyvinyl alcohol (PVA) films containing two different concentrations of polyaniline were prepared by solution casting technique. These films were irradiated with gamma radiation for various doses. Structural and morphological studies of control PVA as well as PVA/PANi composite films were carried out before…
BACKGROUND: Biological chemistry is very stereospecific. Nonetheless, the diastereotopic oxygen atoms of diphosphate-containing molecules in the Protein Data Bank (PDB) are often given names that do not uniquely distinguish them from each other due to the lack of standardization. This issue has largely not been addres…
The main function of collagen is mechanical, hence there is a fundamental scientific interest in experimentally investigating the mechanical and structural properties of collagen fibrils on the nanometre scale. Here, we present a novel atomic force microscopy (AFM) based scraping technique that can dissect the outer l…
Aniline and methyl, ethyl, propyl, and methoxy ring substituted derivatives have been polymerized by electrochemical methods. The reduction of the film produces aging of the polymers. This is followed by the changes in the current/potential profile of the voltammetric response. The effect of the substituents produces…
An analytical model for thermal conductivity of composites with nanoparticles in a matrix is developed based on the effective medium theory by introducing the intrinsic size effect of thermal conductivity of nanoparticles and the interface thermal resistance effect between two phases. The model predicts the percolatio…
We report the observation of cross-polarized transitions of single-walled carbon nanotubes (SWCNTs) isolated with aromatic polymers. The use of photoluminescence excitation mapping allows the identification of the transitions of individual species of SWCNT. Comparing experimental observation with theory yields an esti…
Single crystalline In 2 Ge 2 O 7 nanotubes were synthesized by a thermal evaporation method. The growth mechanism of those novel seminanotubular structures was explained to be a vapor−liquid−solid (VLS) mechanism. Its morphology and structures were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM)…