Materials Literature
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Model interaction potentials for real materials are generally optimized with respect to only those experimental properties that are easily evaluated as mechanical averages (e.g., elastic constants (at T=0 K), static lattice energies and liquid structure). For such potentials, agreement with experiment for the non-mech…
The rheological behavior of metallic alloys containing both solid and liquid phases is investigated in the low solid fraction range (<50%). This behavior depends on both the solid fraction and the shear rate. The concept of Effective Volume Fraction (EVF) is used to decorrelate the influence of these two parameters. A…
The depth dependence of the crystallographic parameters mosaicity, lattice parameter variation and integrated reflectivity and of the critical scattering above the 105 K structural phase transition of SrTiO$_3$ have been studied in five different single crystals by means of high resolution triple-crystal diffractometr…
We examine hysteresis in cyclic voltammetry of Br electrosorption onto single-crystal Ag(100) by dynamic Monte Carlo simulations. At room temperature, this system displays a second-order phase transition from a low-coverage disordered phase to a doubly degenerate $c (2 \times 2)$ phase. The electrochemical potential i…
The electronic structures and the work functions of pristine and Cs-intercalated single-walled carbon nanotube bundles were investigated using ultraviolet photoemission spectroscopy. The valence bands of the pristine bundles were considerably altered from those of graphite. A spectral shift to the higher binding energ…
We use electrostatic force microscopy and scanned gate microscopy to probe the conducting properties of carbon nanotubes at room temperature. Multiwalled carbon nanotubes are shown to be diffusive conductors, while metallic single-walled carbon nanotubes are ballistic conductors over micron lengths. Semiconducting sin…
The temperature rise in sub-micrometer silicon devices is predicted at present by solving the heat diffusion equation based on the Fourier law. The accuracy of this approach needs to be carefully examined for semiconductor devices in which the channel length is comparable with or smaller than the phonon mean free path…
Eight adducts of Rh2(O2CCH3)4 with axial pyridine derivatives that contain hydrogen-bonding amino and/or steric methyl substituents in the 2- and 6-positions have been prepared and examined by electronic absorption and 1H NMR spectroscopy in solution and by elemental, IR, thermogravimetric, and X-ray diffraction analy…
A model for unsteady-state solid-state polycondensation (SSP) is developed and is applied to the polymerization of poly(bisphenol A carbonate) and poly(ethylene terephthalate) (PET). The model assumes that diffusion of the reaction condensate in the solid polymer is the rate-limiting step in the overall polymerization…
Fly ashes resulting from municipal solid waste incineration contain lead and cadmium chlorides (PbCl 2, CdCl 2 ) that volatilize during the thermal treatment and vitrification. They are recovered in “secondary ashes”. We report the thermal conversion of lead and cadmium chlorides into phosphate glasses, using ammonium…
In situ FTIR spectroscopic and electrochemical data and ex situ (emersion) electron diffraction (LEED and RHEED) and Auger spectroscopic data are presented on the structure and reactivity, with respect to the electro-oxidation of CO, of the Ru(0001) single-crystal surface in perchloric acid solution. In both the absen…
An experimental study combined with theory based on distribution kinetics shows how polystyrene degradation is enhanced by continuous addition of peroxide. We investigated polystyrene oxidative degradation kinetics by di- tert -butyl peroxide in the solvent trichlorobenzene at temperatures from 100 to 150 °C. The basi…
The synthesis, spectroscopic characterization, and electrochemistry of As, Sb, and Bi corroles are reported. The investigated complexes are represented by [(OEC)AsV(CH3)]+ClO4- and (OEC)M where M = As(III), Sb(III), or Bi(III) and OEC is the trianion of octaethylcorrole. The products of each redox reaction are charact…
The saturating reaction of ammonia was studied on trimethylaluminum (TMA)-modified porous silica. This reaction step completes a reaction cycle of TMA and ammonia in aluminum nitride growth by atomic layer chemical vapor deposition (ALCVD), a technique based on well-separated saturating gas−solid reactions. The reacti…
The well-known tetradentate ligand 1,2-bis(pyridine-2-carboxamido)benzenate(2-), (bpb)2-, and its 4,5-dichloro analogue, (bpc)2-, are shown to be "noninnocent" ligands in the sense that in coordination compounds they can exist in their radical one- and diamagnetic two-electron-oxidized forms (bpbox1)- and (bpbox2)0 (a…
Ternary composites of polypropylene (PP), elastomer, and calcium carbonate (CaCO3) filler were prepared to study their structure/property relationships. Two kinds of phase structure were formed, depending on the elastomer present in the composites. Separation of elastomer and filler particles was found when a nonpolar…
It is commonly believed that nonplanar distortions of the porphyrin skeleton bring about significant red shifts in the electronic absorption spectra. However, based on absorption spectroscopy and semiempirical AM1 studies of meso -tetrakis(perfluoroalkyl)porphyrins, DiMagno and co-workers have challenged this notion.…
The influence of structural parameters on the exchange coupling J between metal atoms in end-to-end azido-bridged binuclear complexes of Cu(II) and Ni(II) has been studied by means of density functional calculations. For the case of double-bridged Cu(II) compounds, four ideal pentacoordinate models have been employed…
The rheological and morphological behaviors of commercially available three binary blends of ethylene 1-octene copolymer (EOC) regarding the melt index (MI), density and comonomer contents, one component made by the Ziegler–Natta and the other by the metallocene catalysts, were investigated to elucidate miscibility an…
The synthesis of vanadium oxide nanotubes (VO x -NTs) containing primary monoamines with long alkyl chains has been achieved by two new approaches, using either VOCl 3 or V 2 O 5 as vanadium oxide precursor. The hydrolysis of amine complexes of VOCl 3 involves a ligand-assisted templating mechanism as well as the inte…