Materials Literature
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This article reviews recent developments in multiresolution analysis which make it a powerful tool for the systematic treatment of the multiple length-scales inherent in the electronic structure of matter. Although the article focuses on electronic structure, the advances described are useful for non-linear problems i…
Polyethylene thin films are simulated on a high coordination lattice, which is formed by connecting every other site on a diamond lattice. The films present two surfaces to vacuum at 509 K. Each film contains 36 linear or cyclic chains of 50 beads on the coarse-grained lattice, where each bead represents two united-at…
Reactions of H 2 O 2 with Cp*MoCl 4 and Cp*WCl 4 (Cp* = C 5 Me 5 ) yield chloro oxo−peroxo complexes of the type Cp*MoO(O 2 )Cl ( 1 ) and Cp*WO(O 2 )Cl ( 2 ) in high yields. The compounds have been characterized using X-ray structural analysis.
The laser photolysis of gold Au III salts embedded in micelle cores of block copolymer micelles derived from polystyrene−poly-4-vinylpyridine was studied. Two types of polystyrene−poly-4-vinylpyridines having different block length have been employed, producing micelles with different properties. The influence of the…
For powder diffraction, high resolution can be best achieved using the parallel beam geometry with a monochromator/analyzer combination. However experiments are long and a way to reduce this time without compromising resolution is to use several analyzer/ detector combinations mounted on a single (theta) <SUB>a</SUB>/…
In this work we employed the layer-by-layer adsorption technique for deposition on solid substrates of polyionic films containing photoactive azobenzene groups. We investigated two systems, each having the same polyanion but using a different polycation. Poly {1-4[4-(3-carboxy-4-hydroxyphenylazo)benzenesulfonamido]-1,…
The growth process of selenium nanoparticles prepared in a microemulsion by a reverse micelle method is probed by several techniques. The smallest particles synthesized are of the order of 40 Å in diameter, producing the usual blue shift in the optical spectra. An amorphous to crystalline phase transition was detected…
Nanometer-sized gold clusters stabilized by monolayers of arenethiolates prepared using the Brust reaction are somewhat larger (by TEM) and less thermally stable (by TGA) than those prepared under similar conditions and stabilized by alkanethiolates. Like the latter, the mean core size decreases for synthetic conditio…
We consider incorporation of particle detachment in Smoluchowski model of colloidal growth. Two approaches are considered, utilizing phenomenological rate equation and exact large-time results. Our main conclusion is that the value of the large-time diffusing particle concentration at the aggregate surface is the only…
We model two-dimensional systems of granular aggregates confined between two planes and demonstrate that at a critical grain volume fraction an abrupt rigidity transition occurs. This transition is observed both in static and shear tests. The grain volume fraction at which the transition occurs, $ν_c$, decreases with…
Models for semiconductor nanocluster growth within polymer films are presented. The models assume a diffusion−aggregation mechanism of nanocluster growth, where the semiconductor molecules aggregate to form primary particles, which then aggregate, giving larger particles. Reaction−diffusion and equilibrium models base…
Congruent melting of albite, NaAlSi 3 O 8 , is found to be a surface‐initiated process, with melt nucleating at external surfaces and internal cracks and cleavage planes. Melting rates are found to be within a factor of 5 of rates calculated by a normal growth model. The melting point of albite is shown to be in the 1…
We evaluated the in vivo biodistribution of indium- and yttrium-labeled second-generation polyamidoamine dendrimer (PAMAM) conjugated with 2-(p-isothiocyanatobenzyl)-6-methyl-diethylenetriaminepentaacetic acid (1B4M), a derivative of DTPA. In addition, we conjugated PAMAM-1B4M to humanized anti-Tac IgG (HuTac) and eva…
Direct observation of electric potential and field variation near local scatterers like grain boundaries, triple points and voids in thin platinum films studied by scanning tunneling potentiometry is presented. The field is highest at a void, followed by a triple point and a grain boundary. The local field near a void…
We study the steady-state motion of mode III cracks propagating on a lattice exhibiting viscoelastic dynamics. The introduction of a Kelvin viscosity $η$ allows for a direct comparison between lattice results and continuum treatments. Utilizing both numerical and analytical (Wiener-Hopf) techniques, we explore this co…
Polymer-stabilized platinum colloids with nearly uniform spherical shape were prepared by microwave dielectric heating. The average diameters of the as-prepared platinum colloids were 2−4 nm with a narrow size distribution in regard to the preparation conditions.
Growing small particles of silver have been observed to be more efficient catalysts than stable colloidal particles. These growing particles catalyze the borohydride reduction of several organic dyes. The rate of the reduction catalyzed by growing particles is distinctly faster compared to that of stable and larger si…
A variety of global kinetic models are reviewed, including first-order, n th-order, nucleation, and sequential models as well as models having Gaussian, Weibull, and discrete activation-energy distributions. The important characteristics of these various models are outlined, with guidance in how to select the correct…
This 1998 study introduces the physical principles of how and why crystals grow. The first three chapters recall the fundamental properties of crystal surfaces at equilibrium. The next six chapters describe simple models and basic concepts of crystal growth including diffusion, thermal smoothing of a surface, and appl…
I. FUNDAMENTALS AND GENERAL ASPECTS OF ELECTROCHEMICAL ENERGY STORAGE Thermodynamics and Mechanistics Practical Batteries Global Competition of Primary and Secondary Batteries II. MATERIALS FOR AQUEOUS ELECTROLYTE BATTERIES Structural Chemistry of Manganese Dioxide and Related Compounds Electrochemistry of Manganese O…