Materials Literature
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The vibrational dynamics of oligomers of thiophene is treated theoretically and the experimental infrared and Raman spectra are studied with the main purpose to derive information for the interpretation of the spectra of polythiophene. The optimized geometries and the vibrational force field are calculated for the oli…
We have employed 16O(α,α)16O oxygen resonance measurement and transmission electron microscopy to study the oxidation and reduction of copper oxide thin films. The in- and out-diffusion of oxygen-induced oxygen concentration variations and microstructural changes in the films were monitored. The study of reduction was…
Raman spectra of ${\mathrm{GeO}}_{2}$ glass are recorded in situ as a function of pressure to 56 GPa at room temperature. Under initial compression to 6 GPa the main 419-${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$ Raman band shifts to higher frequency and broadens with a gradual loss of intensity. These spectral change…
For p-nitroaniline the ab initio method with a double-zeta basis set which includes semidiffuse polarization functions has been used to calculate the dipole moment μ, frequency-dependent linear polarizability α, and nonlinear hyperpolarizabilities β and γ using the time-dependent coupled perturbed Hartree–Fock approac…
Amorphous carbon a-C and amorphous hydrogenated carbon a-C:H films were prepared by rf sputtering of a graphite target in argon and argon-plus-hydrogen atmospheres, respectively. The optical-absorption coefficients of these films were measured by a spectrophotometer in the high-absorption range and by photothermal def…
Inelastic-scattering cross sections of 300--10 000-eV electrons in Si, Ti, Fe, and Pd and of 300--2000-eV electrons in Cu, Ag, and Au have been investigated theoretically and experimentally. The product of the inelastic mean free path and the cross section were determined experimentally through an analysis, based on a…
We have investigated the adsorption of NO on a thin NiO(100) film of several layers thickness grown on top of a Ni(100) surface in comparison with data of an in vacuo cleaved NiO(100) single crystal. The layer exhibits a high defect density. We demonstrate via application of several surface-sensitive electron-spectros…
The crystal structure of a host defense system chemotactic factor, interleukin 8, has been solved by molecular replacement using as a model the solution structure derived from nuclear magnetic resonance experiments. The structure was refined with 2 A x-ray data to an R factor of 0.187 (0.217 at 1.6 A). A comparison in…
A chemical kinetic model is developed that includes detailed descriptions of both gas-phase and surface processes occurring in gas-activated deposition of diamond films on diamond (111) surface. The model was tested by simulating diamond film deposition in a hot-filament reactor using methane-hydrogen, methane-argon,…
The third-order optical nonlinearity χ(3), linear absorption coefficient α, and the two-photon absorption coefficient β of two nickel dithiolene complexes are reported. The nonlinearities were measured at 1064 nm using 100 ps pulses. Molecular nonlinearities 103 times those of carbon disulphide were observed. Two figu…
Precise estimation of the systematic error involved in the determination of the activation energy of a non-first-order thermoluminescence (TL) peak by using the two-heating-rates method of Booth (which is strictly valid for a first-order peak) has been made. A new method analogous to the Booth (1954) method is propose…
A kinetic model is presented for the crystallization of two‐component melts in thin dikes or sills specifically providing for the nucleation of one crystalline phase on the surface of another crystalline phase during simultaneous crystallization. This process is termed heterocatalytic nucleation. It is assumed that th…
By simultaneously solving the governing equations for defect formation and the relative conservation laws, we have made a general calculation of equilibrium concentrations of point defects in MgO as functions of temperature, oxygen fugacity (ƒO 2 ), and Fe content. The aim of this work is to better understand the mech…
We have developed a general computation procedure DEFEQ that enables equilibrium defect concentrations in minerals to be quantitatively determined over the range of thermodynamic conditions that encompasses both laboratory experiments and Earth conditions. The governing equations are the quasichemical reactions betwee…
Zusammenfassung Die Verdaulichkeit von Nährstoffen und der Energie bei Meishan‐Schweinen und Schweinen der Holländischen Landrasse In einem vergleichenden Versuch zwischen Meishan‐Schweinen und Schweinen der Holländischen Landrasse im Gewichtsabschnitt von 30–40 kg Körpergewicht wurden die Nährstoffverdaulichkeit sowi…
Electromigration properties in a single crystalline submicron width aluminum interconnection formed on Si(111) have been examined by resistance change measurements and in situ observations using scanning electron microscopy. It was observed that single crystalline aluminum has an extremely high resistance to electromi…
We perform Monte Carlo simulations for diffusion of charged particles in structurally disorderd lattices. As a consequence of the Coulomb interaction, pronounced backward correlations occur which lead to power-law behavior of the relevant transport quantities at intermediate time and frequency scales. Both the exponen…
Development of a metal/organic-semiconductor Schottky junction as an alternative to the metal/inorganic-semiconductor junction is reported. Metal/polypyrrole (PP) junctions have been prepared with electrochemically deposited doped PP films of different thickness and various metals (In, Sn, Ti, and Al) as electrodes. T…
Abstract The solubility behaviors of polymethyacrylonitrile (PMAN), poly(methacrylic acid) (PMAA), and its random copolymer methacrylonitrile (MAN)/methacrylic acid (MAA) in various solvents were investigated. The results were used in a computer program to obtain a 3‐dimensional representation of the polymer solubilit…
Abstract Plasticizer migration from flexible poly(vinyl chloride) comprises an important aspect, especially when packaging foodstuffs and pharmaceuticals. Much of the published work has been intended either to correlate migration into simulants with that into foods or to study migration into simpler extractants, enabl…