Materials Literature
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Abstract Jute fabric was coated with natural rubber to develop double‐texture rubberized waterproof fabric and fabric‐reinforced rubber sheeting for hospitals. The vulcanization of such natural‐rubber‐coated flexible composites at 120°C for 3 h produced optimum effects. The jute/natural‐rubber composite was much super…
Atomistic density functional theory (DFT) calculations of the capacitance between a metallic cylindric gate and a carbon nanotube (CNT) are reported. We find that the quantum capacitance of the CNT becomes negative as the CNT carrier density is reduced. This corresponds to an unconventionally high charge accumulation…
We demonstrate a hydrostatic pressure-induced structure transition of an isolated double-walled carbon nanotube using constant pressure molecular dynamics simulations. We find that, during the transition, the tube cross section is changed from circular to elliptical shape, associated with large reduction of radial bul…
The dynamics of NO(x) species adsorbed on BaO(100) have been investigated with ab initio molecular dynamics simulations at a temperature of 300 degrees C. Nitrites are found to continuously interconvert between different adsorption configurations. For both nitrites and nitrates, diffusion events between anion sites ar…
Abstract We present a simple density theory based on first principles that predicts the shielding effectiveness of composite matrix materials at filler loadings near or above the percolation threshold. Such a model has practical applications in electromagnetic interference and radio frequency interference, and is vali…
The partitioning of a diblock copolymer (AB) and a triblock copolymer (ABA and BAB) into a pore, at a condition similar to that employed in the experimental liquid chromatography at the critical condition (LCCC), was investigated by lattice Monte Carlo simulations with self-avoiding-walk chains. The B block is set at…
Electrostatic-force-driven self-assembling behavior of gelatin polypeptides has been investigated through the predominantly seeded-aggregation growth of denatured gelatin molecules on citrate-stabilized gold nanoparticles (see Figure). The resulting self-assembled gelatin aggregates have been used as soft templates to…
We use magnetism and specific heat measurements to investigate the hexagonal Mn-rich YMnO3. It is found that upon cooling from a high temperature, the compound first orders antiferromagnetically at TN∼72K and then undergoes a re-entrant spin glass (RSG) transition at TSG∼42K. This RSG behavior results from the competi…
Abstract This review outlines recent advances in the area of supramolecular photochemistry, particularly with respect to the use of noncovalent interactions to direct and control excited‐state processes in the solid phase and in solution. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Abstract Flexural modulus of the press‐molding composites made from bagasse fiber and biodegradable resin was investigated by experiment and numerical prediction with Cox's model that incorporates the compression ratio of the bagasse fiber in the cross section. The effect of the volume fraction of bagasse fiber and it…
Donor-acceptor interactions were investigated in a series of unusually rigid, cofacially compressed pi-stacked porphyrin-bridge-quinone systems. The two-state generalized Mulliken-Hush (GMH) approach was used to compute the coupling matrix elements. The theoretical coupling values evaluated with the GMH method were ob…
Abstract We have characterized the morphology and nanomechanical properties of surface‐grafted nanoscale layers consisting of Y‐shaped binary molecules with one polystyrene (PS) arm and one poly(acrylic acid) (PAA) arm. We examined these amphiphilic brushes in fluids (in‐situ visualization), and measured their microtr…
Abstract Commercially available neoalkoxy titanate (Lica 12) and organosilane (3‐aminopropyltriethoxysilane) coupling agents were used to treat talc and calcium carbonate (CaCO 3 ) to compare their effects with those of untreated fillers upon their incorporation into polypropylene (PP). Commercial stearic acid treated…
Optical quality NaLnF 4 single crystals have been obtained from nonstoichiometric melts through the Czochralski technique, for Ln = La, Ce, Pr, Sm, Eu, and Gd. These crystals are potential laser host materials because of their high luminescence efficiency when doped with rare earth ions. In view of this application, t…
In an effort to elucidate the spin (rather than charge) degrees of freedom in colloidal semiconductor nanocrystal quantum dots, we report on a series of static and time-resolved photoluminescence measurements of colloidal CdSe quantum dots in ultrahigh magnetic fields up to 45 T. At low temperatures (1.5-40 K), the st…
Abstract Nanocomposites of polypropylene with organically modified clays were compounded in a twin‐screw extruder by a two‐step melt compounding of three components, i.e., polypropylene, maleic anhydride grafted polypropylene (PP g MA), and organically modified clay. The effect of PP g MA compatibilizers, including PH…
Abstract The mechanical properties and moisture resistance of the soy protein isolate (SPI) resin and flax yarn reinforced composites were improved significantly by incorporation of a poly‐carboxylic acid based modifier, Phytagel®. SPI and Phytagel® were blended to form an interpenetrating network‐like cross‐linked co…
The preservation of biomaterials depends critically on the mobility of water in the glassy state, manifested as a secondary beta relaxation and diffusion. We use coarse grain simulations to elucidate the molecular mechanism underlying the relaxations for water-glucose glass, finding two pathways for water diffusion: (…
Methanothermobacter thermautotrophicus is a thermophilic archaeon that produces methane as the end product of its primary metabolism. The biochemistry of methane formation has been extensively studied and is catalyzed by individual enzymes and proteins that are organized in protein complexes. Although much is known of…
Emission lines from transitions between high-energy states of noble-gas atoms (Ne, Ar, Kr, and Xe) and ions (Ar(+), Kr(+), and Xe(+)) formed and excited during single-bubble cavitation in sulfuric acid are reported. The excited states responsible for these emission lines range 8.3 eV (for Xe) to 37.1 eV (for Ar(+)) ab…