Materials Literature
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We have used resonance-Raman scattering to study the effects of hydrostatic pressure (to 80 kbar) on polyiodide chain vibrations in iodine-doped poly(vinyl alcohol) films. Two strong fundamental bands are observed along with overtone and combination bands. The low-energy band at 107 cm -1 is attributed to symmetric st…
We present a study of the effect of oscillatory shear on the crystallization of supercooled water in nonequilibrium molecular dynamics simulations of simple water models. [The TIP4P model has been used throughout; calculations using the extended simple point charge (SPC/E) model were checked for consistency and gave q…
Abstract EXXPOL® metallocene catalyst technology featuring very high‐productivity catalyst systems is expected to provide ethylene polymer compositions that show excellent oxidative stability based on their minimal unsaturation content and low innocuous metal residue of a non‐acidic nature. Metallocene ethylene polyme…
[(PPh(3))(2)N][Au(SH)(2)] reacts with CS(2) in acetone to give [(PPh(3))(2)N](2)[Au(2)(CS(3))(2)] (1) which reacts with iodine (1:1) or PhICl(2) (1:1) to give 2 or 2', which is an equimolar mixture of the gold(III) complex [(PPh(3))(2)N][Au(CS(3))(2)] (3) and [(PPh(3))(2)N][AuX(2)] (X = I, Cl). These mixtures decompos…
Abstract The thermal decomposition behavior of hydrotalcite-like compounds (HTlcs) prepared by reconstruction of calcined HTlcs is described. From the results of X-ray diffraction (XRD), it seems that dicarboxylate intercalates of HTlc calcined at 500 °C are completely reconstructed to Mg-Al-CO 3 HTlc by exposure to a…
Abstract Depletion and structural interactions between dilute, large, nearly hard‐sphere colloidal particles in a fluid dispersion containing much smaller nearly hard spheres were investigated as a function of small‐particle concentration in sedimentation experiments. It shows that low concentrations of fine particles…
Abstract. Aluminium is used extensively in the transportation, architecture, electronic and packaging industries. Aluminium presents particular characteristics such as low density, high ductility and a highly protective natural oxide film. However, formability, corrosion resistance, weldability, adhesion and surface a…
Molecular dynamics simulations and theoretical calculations are used to study the static structure and dynamic properties of the liquid alkaline earths near their melting points. Where possible, comparison with experiments lends support to the reliability of the potentials used. On the other hand, comparison between t…
In the course of refining atomic protein structures, one often encounters difficulty with molecules that are unusually flexible or otherwise disordered. We approach the problem by combining two relatively recent developments: simultaneous refinement of multiple protein conformations and highly constrained refinement.…
The syntheses of Cu(PO 3 ) 2 , Cu 2 P 2 O 7 , Cu 4 P 2 O 9 , Cu 5 P 2 O 10 , Cu 3 (PO 4 ) 2 , and Cu 2 PO 4 were accomplished by several new solid‐state routes. Attempts to synthesize CuPO 3 were unsuccessful, and it is suspected that this compound, which is reported in the literature, may not exist. The thermal stabi…
Defines the purpose of this research as to design a coverall for fire fighting, with special emphasis on sizing and fit to maximize wearer comfort and mobility, as well as incorporate design features which would improve the functionality of the garment. Uses a structured functional apparel design approach to develop g…
The accommodation of In2O3 in the ZnO wurtzite structure was investigated using a combination of atomistic simulation and HREM techniques. At low concentrations, indium ions are incorporated on zinc sites with creation of zinc vacancies to maintain charge neutrality; defect clustering involving two indium substitution…
In Part I of this paper, two governing equations have been derived that describe the shape of a falling liquid sheet (a curtain) subjected to ambient pressure disturbances. These equations are termed varicose and sinuous. The varicose equation governs thickness variations in the curtain, for which the two air–liquid i…
Hydrogarnets Sr 3 M 2 (OH) 12 (M = Cr, Fe, and Al) were synthesized from mild hydrothermal systems at 240 °C with Sr(OH) 2 ·8H 2 O, Cr(NO 3 ) 3 ·9H 2 O, Fe(NO 3 ) 3 ·9H 2 O, and Al(OH) 3 as the starting materials. High solubility of the input species and basic concentration in the reaction systems considerably lower c…
Oxidation of fiber/matrix interfaces can degrade the strength and toughness of ceramic composites containing non‐oxide constituents. Oxidation can occur when the fiber ends are exposed or in the presence of cracks. Theoretical considerations indicate that, contrary to popular belief, oxide fiber coatings should be wor…
Self‐assembled monolayers (SAMs) constructed from alkanethiols, whose surface composition and wettability can be rigorously characterized, were used to investigate bacterial adhesion to surfaces. Mixtures of methyl‐terminated and hydroxyl‐terminated alkanethiols were used to produce a series of SAMs with different wet…
The monomers bis(2-thienyl)-9,9-didecylfluorene, BTDF, and bis(3,4-(ethylenedioxy)thien-2-yl)-9,9-didecylfluorene, BEDOT-DF, have been synthesized and electropolymerized to the corresponding conducting polymers. The potential for the electropolymerization of BTDF was found to be dependent on the solvent composition. I…
Two catalytically inactive mutant forms of 1-aminocyclopropane-1-carboxylate (ACC) synthase, Y85A and K273A, were mixed in low concentrations of guanidine hydrochloride (GdnHCl). About 15% of the wild-type activity was recovered (theoretical 25% for a binomial distribution), proving that the functional unit of the enz…
Abstract The crystal structure of synthetic deuterated kaolinite was refined by Rietveld analysis using time-of-flight (TOF) neutron powder diffraction data. For non-hydrogen atoms, Cl symmetry was assumed. Starting models were tested in which only the direction of O-D vectors was varied. The constraints were introduc…
Some specific features of the microphase separation in molten ternary ABC triblock copolymers (in particular, modifications of the molten AB diblock copolymers by attaching a short third block C strongly incompatible with both A and B blocks) are studied rigorously within the framework of the weak segragation approach…