Materials Literature
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The effect of the powder average on the peak shapes and positions in neutron pair distribution functions of polycrystalline materials is examined. It is shown that for highly anisotropic crystals, the powder average leads to shifts in peak positions and to non-Gaussian peak shapes. The peak shifts can be as large as s…
Defect ordering in aliovalently doped cubic-stabilized zirconia is studied using gradient corrected density-functional calculations. Intra- and intersublattice ordering interactions are investigated for both cation (Zr and dopant ions) and anion (oxygen ions and vacancies) species. For yttria-stabilized zirconia, the…
The epitaxial deposition of the first oxide buffer layer (seed layer) on biaxially textured Ni tape for coated conductors is a critical step that is dependent on the atomistic surface condition of the metal. We present a study of the {100}<100> biaxially textured Ni (001) surface and seed-layer growth using in situ re…
An extremely long-lived charge-separated state has been achieved successfully using a ferrocene-zincporphyrin-freebaseporphyrin-fullerene tetrad which reveals a cascade of photoinduced energy transfer and multistep electron transfer within a molecule in frozen media as well as in solutions. The lifetime of the resulti…
In order to form flat-panel displays with a high resolution property, the phosphor layer should possess considerable electrical conductivity and thermal stability. Thin phosphor films of zinc silicates, rare earth galats and/or multilayer system on their ground are known to satisfy these very requirements. The authors…
The reaction of hydrazine with (dcpe)PdCl 2 or (dippe)Pd(OAc) 2 leads to high yields of the isolated dinuclear complexes [(μ-dcpe)Pd] 2 and [(μ-dippe)Pd] 2, respectively. In solution, these dinuclear complexes undergo a monomer−dimer equilibrium with their corresponding 14-electron (P−P)Pd fragments. Solutions contain…
Abstract Recently, some interpenetrating polymer networks with good mechanical damping properties have been synthesized. However, the effect of morphology on this property has not yet been clearly elucidated. Herein, two polystyrene–polyurethane interpenetrating polymer networks, which were grafted using TMI [benzene‐…
Abstract The effects of the plasticizer content and of the treatments by corona discharge in helium on the morphology and on some physico‐chemical properties of the PVC surface were investigated by scanning electron microscopy (SEM), IR spectroscopy, and contact angle measurements. A biological test of adsorption of s…
The substrate oxygenation mechanism by an ultimate species in monooxygenation by cytochrome P-450 (compound I) was investigated by the density functional theory method. An initial model compound was constructed from a structure obtained by 300-ps molecular dynamics simulation of compound I-formed P-450cam under physio…
Similar to silica tridymite, AlPO4 tridymite shows a sequence of displacive phase transitions resulting in a dynamically disordered hexagonal high-temperature modification. Rietveld refinement reveals that the thermal motions of the tetrahedra can be described either by strongly anisotropic displacement parameters for…
H5XT (bis[[bis(carboxymethyl)amino]methyl]phosphinic acid) is an EDTA(4-)-like ligand containing an extra phosphinate group. [Co(II)(XT)]3-, [Co(III)(XT)]2-, and a series of [Ln(XT)]2- complexes have been prepared. The phosphinate group is not coordinated in the Co complexes but is bound in the lanthanide complexes. S…
Abstract Thermal degradation of poly(arylene sulfone)s had been studied by the combination of thermogravimetric analysis/mass spectrometry (TG/MS) with pyrolysis/gas chromatography/mass spectrometry (Py‐GC/MS) techniques. Through these two methods, the pyrolysates from poly(ether sulfone) (PES) and polysulfone (PSF) w…
The origin of the anomalous line shape of the ${A}_{1}(1\mathrm{T}\mathrm{O})$ soft mode in ${\mathrm{PbTiO}}_{3}$-based single crystals was investigated by polarized Raman-scattering method over a wide range of temperature between 100 and 700 K. Detailed scattering data indicated that the previously proposed anharmon…
Abstract Polyimide/poly(silsesquioxane)‐like (PI/PSSQ‐like) films have three‐dimensional structure with linear PI blocks and a crosslinked PSSQ‐like structure. They have higher thermal stability and char yields than pure PI from 4,4′‐diaminodiphenyl ether and 3, 3′‐oxydiphthalic anhydride (ODPA). In a series of X ‐PIS…
We report Mn K-edge x-ray absorption near edge structure (XANES) calculations of the ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{MnO}}_{3}$ manganites considering three pair correlations, according to the three fundamental degrees of freedom governing their unusual electronic properties, namely, the ele…
The S41A mutant of riboflavin synthase from Escherichia coli catalyzes the formation of riboflavin from 6,7-dimethyl-8-ribityllumazine at a very low rate. Quenching of presteady-state reaction mixtures with trifluoroacetic acid afforded a compound with an absorption maximum at 412 nm (pH 1.0) that can be converted to…
Hydrophobically substituted dextran (dextran phenoxy, DexP) and dextran phenoxy−poly(ethylene oxide) copolymers (DexP−PEO) have been used to modify the surface of polystyrene latex particles. To avoid polymer desorption in the presence of hydrophobic species such as proteins, the adsorbed layer was stabilized by chemi…
Large magnetic entropy change with comparable magnitude to that of pure Gd has been observed in compounds $\mathrm{La}({\mathrm{Fe}}_{1\ensuremath{-}x}{\mathrm{Co}}_{x}{)}_{11.83}{\mathrm{Al}}_{1.17}$ $(x=0.06,0.08)$ at their Curie temperatures of $\ensuremath{\sim}273 \mathrm{K}$ and $\ensuremath{\sim}303 \mathrm{K},…
Abstract The reactive compatibilization of blends of HDPE–PET [high‐density polyethylene–poly(ethylene terephthalate)] was investigated in this study. The compatibilizers used were two grafted copolymers prepared by reactive extrusion containing 1.20–2.30 wt % GMA such as HDPE‐ g ‐GMA and one statistical copolymer con…
Abstract Attempts were made to follow and correlate morphological development with the crosslinking density, or state of cure (SOC), and the surface tension (γ) of the rubber phase in dynamically cured thermoplastic elastomers (TPEs) based on ethylene propylene diene rubber and polypropylene (PP) with 60/40 (w/w) rati…