Materials Literature
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Vibrational spectra of closed shell Lennard-Jones icosahedral and cuboctahedral clusters are calculated for shell numbers between 2 and 9. Evolution of the vibrational density of states with the cluster shell number is examined and differences between icosahedral and cuboctahedral clusters described. This enabled a qu…
The formation of atomic wires via pseudomorphic step-edge decoration on vicinal silicon surfaces has been analyzed for Ga on the Si(112) surface using Scanning Tunneling Microscopy and Density Functional Theory calculations. Based on a chemical potential analysis involving more than thirty candidate structures and con…
Temperature-controlled-growth of silver nanoclusters in soda glass matrix is investigated by low-frequency Raman scattering spectroscopy. Growth of the nanoclusters is ascribed to the diffusion-controlled precipitation of silver atoms due to annealing the silver-exchanged soda glass samples. For the first time, Ruther…
We extend our earlier shear-transformation-zone (STZ) theory of amorphous plasticity to include the effects of thermally assisted molecular rearrangements. This version of our theory is a substantial revision and generalization of conventional theories of flow in noncrystalline solids. As in our earlier work, it predi…
Energy band structure of the discovered ternary perovskite-like compound ZnCNi3 reported by Park et al (2004) as a non-superconducting paramagnetic metal was investigated using the FLMTO-GGA method. The electronic bands, density of states, Fermi surface, charge density and electron localization function distributions…
The motions of liquid drops of various surface tensions and viscosities were investigated on a solid substrate possessing a gradient of wettability. A drop of any size moves spontaneously on such a surface when the contact angle hysteresis is negligible; but it has to be larger than a critical size in order to move on…
The smaller the better: Depositing gold on nanocrystalline particles of cerium oxide, instead of a regular cerium oxide support, increases the activity of the resulting catalyst by two orders of magnitude for the selective oxidation of CO to CO2, even in the presence of H2 (shown schematically).
The transition of the magnetic state with x increasing in electron-doped manganite Nd1−xCexMnO3 is investigated through the measurements of magnetism, including the M–T and hysteresis curves. For x=0.04, with temperature increasing, M under zero-field cooling indicates that the magnetic structure changes from ferromag…
The observation that a molecular electron density is close to the superposition of its constituent atoms leads naturally to the idea of modeling a density by a sum of nuclear-centered, spherically symmetric functions. The functions that are optimal in a least-squares sense are known as Stewart atoms. Previous attempts…
We discuss linear and nonlinear optical wave propagation in a left-handed medium (LHM) or medium of negative refraction (NRM). We use the approach of characterizing the medium response totally by a generalized electric polarization [with a dielectric permittivity $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremat…
Abstract Ternary blends of polypropylene (PP), ethylene–octene copolymer (mPE), and high‐density polyethylene (HDPE) were prepared based on the phase behavior and physical properties of mPE/HDPE binary blends, and the results were interpreted in terms of morphology and both rheological and mechanical properties of the…
Abstract The chemical interaction of the catalyst MgCl 2 /ethylbenzoate/TiCl 4 with the cocatalysts triethylaluminum and trisobutylaluminum was investigated to establish a relationship between the titanium oxidation states and the catalytic activity, polymer isotacticity, and polymer molecular weight in propylene poly…
Abstract Hydrogels composed of a poly(phenyl isocyanide) bearing a carboxylate group with a macromolecular helicity memory were synthesized by cross-linking with achiral diamines in water, and the obtained hydrogels were found to maintain their memory even at 90 °C in water, although the helical polymer before the cro…
Abstract The effect of addition of chloroprene rubber (CR) on the dispersion of silica in EPDM (ethylene–propylene–diene terpolymer) was studied. It was observed that physical properties of the vulcanizates could be significantly increased at the EPDM : CR blend ratio of 92.5 : 7.5. SEM micrographs also indicated that…
We develop a variational approach to an extended Holstein model, comprising both local and nonlocal electron-phonon coupling. The approach is based on the minimization of a Bogoliubov bound to the Helmholtz free energy. The ambivalent character of nonlocal coupling, which both promotes and hinders transport, is clearl…
We have studied the electronic structure of $\ensuremath{\beta}\ensuremath{-}{\mathrm{Na}}_{0.33}{\mathrm{V}}_{2}{\mathrm{O}}_{5},$ which becomes a superconductor under pressure, by angle-resolved photoemission spectroscopy. Clear band dispersions are observed only along the chain direction, indicating the quasi-one-d…
Abstract The cell nucleation and real‐time cell growth with increasing cell growth time in microcellular foaming were investigated by means of temperature quenching in a supercritical CO 2 pressure‐quench process. Samples of uniform size and shape were saturated in a vessel under conditions of 100–180°C and 30 MPa, an…
Mn thin films were deposited in situ on molecular beam epitaxy grown GaAs(001) surfaces at 0 °C. Postgrowth anneals of the Mn/GaAs samples were done at 200, 300, and 400 °C for times ranging from 0.5 to 30 h. Rutherford backscattering spectrometry, x-ray diffraction, and transmission electron microscopy show that for…
We present results from kinetic Monte Carlo (KMC) simulations of diffusion in a model glass former. We find that the diffusion constants obtained from KMC simulations have Arrhenius temperature dependence, while the correct behavior, obtained from molecular dynamics simulations, can be super-Arrhenius. We conclude tha…
The retention characteristics of Ir/IrO2/Pb(Zr0.4Ti0.6)O3(PZT)/Pt/IrO2 capacitors were investigated by measuring the switching and nonswitching polarizations, the switching current profiles, and the P–V hysteresis loops. The retention losses of Ir/IrO2/PZT/Pt/IrO2 capacitors were compared with those of the Pt/PZT/Pt c…