An Electronic Approach to Materials Design

A molecular orbital approach to materials design has recently made great progress. This approach is based on the electronic structure calculations by the DV-Xα cluster method. In this paper recent progress in this approachis reviewed. In particular     

Preparation and properties of transparent cellulose hydrogels

Highly transparent cellulose hydrogels with physical crosslinkage were prepared from nonaqueous organic cellulose solutions and viscose by coagulating and regenerating cellulose in an aqueous solution containing a water‐miscible organic solvent. Nonaqueous organic cellulose solutions used were LiCl/dimethylacetamide, paraformaldehyde/dimethyl sulfoxide, and triethylammonium chloride/dimethyl sulfoxide. Preparation conditions and physical properties of the transparent cellulose hydrogels were studied. The transparency of the cellulose hydrogels depended on the composition of the aqueous solution containing the organic solvent. Furthermore, transparent cellulose hydrogels from viscose showed high tensile strength. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 90: 3020–3025, 2003     

Ultraviolet chambers based on integrating spheres for use in artificial weathering

Laboratory ultraviolet (UV) chambers are widely used to obtain weathering data for a wide range of commercial polymer products including coatings, textiles, elastomers, plastics, and polymeric composites. Although numerous improvements have been made in the design of UV chambers over the last 80 years, the reproducibility of the exposure results from these chambers has remained elusive. This lack of reproducibility is attributed to systematic errors in their design, operation, and control which prevent direct comparisons of the performance of materials exposed in the same environment, comparisons of the performance of the same material exposed in different laboratories, and the comparison of field and laboratory results. This paper describes an innovative UV chamber design based on integrating sphere technology that greatly reduces the magnitude of these errors, as well as provides additional experimental capabilities. Presented at the 79th Annual Meeting of the Federation of Societies for Coatings Technology, on November 4–7, 2001, in Atlanta, GA. Building Materials Division. Gaithersburg, MD. Freeport, TX.     

The oxidation properties of fourth generation single-crystal nickel-based superalloys

The fourth-generation nickel-based single-crystal superalloys, which contain large amounts of refractory metals for strengthening and platinum group metals for topologically close-packed phase prevention, show excellent high-temperature strength. However, these alloying elements seem to decrease high-temperature oxidation resistance. In this study, nickel-based superalloys with various amounts of tantalum, rhenium, and ruthenium were examined in isothermal and cyclic exposures at 1,100°C to investigate the effect on the oxide growth rate and resistance to scale spallation. Ruthenium and rhenium were found to degrade the oxidation resistance by the vaporization of their oxide. Tantalum-rich oxide in the spinel layer acts to stabilize ruthenium and rhenium oxide in the scale. The addition of hafnium and yttrium is effective in improving the oxidation resistance of ruthenium-containing nickel-based superalloys.     

A high resolution negative working resist,LMR-UV,for g- and i-line lithography

LMR-UV (“low molecular weight resist for uv lithography”), a naphthoquinone-diazide sulfonic acid ester of a novolak resin, is a negative working resist. The mechanism of insolubilization of LMR-UV is based on the facts that the naphthoquinone-diazide moiety is decomposed to indenecarboxylic acid (polar compound) by photolysis upon UV irradiation and that the irradiated resist film insolubilizes in a non-polar developer. LMR-UV reliably forms 0.6 μm lines and spaces over a reflective substrate with steps by using a g-line stepper having a 0.35 NA lens. 0.6 μm-wide aluminum patterns over topography are obtained by use of g-line exposure and reactive ion etching. By use of an i-line aligner (NA = 0.42), LMR-UV resolves 0.25 μm space patterns with overhang profiles. The profiles are due to the large absorption coefficient of 3.8 μm^?1. 0.3 μm wide aluminum patterns are formed by i-line exposure and lift-off metallization.     

An investigation of induced voltages to an underground gas pipeline from an overhead transmission line

This paper investigates induced voltage characteristics from an overhead transmission line by applying a method of modeling of induced voltages proposed by the authors. EMTP simulation results obtained by the modeling method agree with analytical results obtained from a well‐known formula. The induced voltages are significantly dependent on the configuration of the overhead line. A horizontal line induces the largest voltage in a gas pipeline, and the voltage induced by a vertical twin‐circuit line is about 20% smaller than that induced by a vertical single‐circuit line. The method is applied to a real pipeline system and the simulation results show reasonable agreement with field test results. © 2008 Wiley Periodicals, Inc. Electr Eng Jpn, 164(1): 43–51, 2008; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/eej.20465     

Catalytic decomposition of biomass tars with iron oxide catalysts

Catalytic gasification of wood (Cedar) biomass was carried out using a specially designed flow-type double beds micro reactor in a two step process: temperature programmed non-catalytic steam gasification of biomass was performed in the first (top) bed at 200–850 °C followed by catalytic decomposition gasification of volatile matters (including tars) in the second (bottom) bed at a constant temperature, mainly 600 °C. Iron oxide catalysts, which transformed to Fe₃O₄ after use possessed catalytic activity in biomass tar decomposition. Above 90% of the volatile matters was gasified by the use of iron oxide catalyst (prepared from FeCl₃ and NH_3aq) at SV of 4.5 × 10³ h^?1. Tar was decomposed over the iron oxide catalysts followed by water gas shift reaction. Surface area of the iron oxide seemed to be an important factor for the catalytic tar decomposition. The activity of the iron oxide catalysts for tar decomposition seemed stable with cyclic use but the activity of the catalysts for the water gas shift reaction decreased with repeated use.     

Changes in the thermomechanical behavior of epoxy glasses under the state of strain aging

Changes in thermomechanical behavior with structural relaxation taking place in epoxy glasses were studied. Differential scanning calorimetry measurements and thermostimulated strain recovery tests were performed for specimens deformed and then aged under fixed strain. In the course of heating, the specimens started to absorb thermal energy, whereas plastic strain was still stable. At higher temperatures, plastic strain started recovery, which was accompanied by exothermic behavior of the specimen. With an increase in the aging duration, the endothermic peak signified and moved to a higher temperature. These results indicated that the longer the aging duration was, the harder the plastic strain and strain energy were frozen in the glassy structure. This freeze‐strain phenomenon was observed for crosslinked epoxy glass, as well as polymeric glasses with linear molecular structures, aged under strain. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Synthesis and applications of fluoroalkyl end-capped cooligomers having fullerene and mixed fullerenes in the main chain

Fluoroalkanoyl peroxides reacted with FULLERENES [fullerene (C₆₀) and commercially available fullerenes (Nanom Mix^TR and Nanom Black^TR)] and radical polymerizable comonomers such as acrylic acid, N,N-dimethylacrylamide, N-(1,1-dimethyl-3-oxobutyl)acrylamide, and acryloylmorpholine to afford fluoroalkyl end-capped cooligomers having FULLERENES in the main chain under very mild conditions. Fluoroalkyl end-capped Nanom Mix and Nanom Black cooligomers thus obtained were found to exhibit a similar solubility to that of the corresponding fluoroalkyl end-capped cooligomers having fullerene in the main chain. These fluorinated FULLERENES cooligomers were found to form the nanometer size-controlled self-assembled cooligomeric aggregates in aqueous solutions. These fluoroalkyl end-capped FULLERENES cooligomers were more effective for solubilizing fullerene, Nanom Mix and Nanom Black into water, compared to those of the corresponding fluoroalkyl end-capped homooligomers having no FULLERENES in the main chain. Fluoroalkyl end-capped fullerene- and Nanom Mix-acrylic acid cooligomers were found to exhibit fluorescence spectra related to fullerene and Nanom Mix in cooligomers, respectively, in aqueous solutions. Additionally, these fluorinated fullerene- and Nanom Mix-acrylic acid cooligomers were able to increase chemiluminescence intensity related to luminol, effectively, compared to the corresponding fluorinated acrylic acid homooligomers.