Materials Literature
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We have developed an empirical EAM potential for magnesium by fitting to ab initio forces (the `force matching' method) and experimental data. The database includes many different structures, including bulk, cluster, liquid and several defect structures. The potential fit to the forces database, which has 2201 forces…
Leaching of nitrate from soils and sediments can be reduced in anoxic environments due to denitrification to N 2 O/N 2 or reduction of nitrate to ammonium. While microbial dissimilatory reduction of nitrate to ammonia is well known, it is shown here that this conversion can also proceed at appreciable rates in abiotic…
ABSTRACT Films were cast and dried from heated, alkaline aqueous egg albumen solutions containing glycerin (GLY) at 30, 40, or 50% w/w of protein, polyethylene glycol (PEG) at 50 or 60%, or sorbitol (S) at 50 or 60% as plasticizers. PEG‐plasticized (60%) films also were prepared by substituting 10, 30, 50, or 70% of a…
A new implementation of the coupled-wave method for TM polarization is proposed. We use a second-order differential operator established by Nevière together with a scattering-matrix approach. Thus we obtain for metallic gratings a convergence rate as quick as that in TE polarization.
Luminescence in organic conjugated polymers is considered in this article, which tries to clarify some of the issues related to the nature of the emitting species. A comparison of recent experimental and theoretical data on the exciton binding energy in luminescent poly(arylenevinylene)s, polyarylenes, and their deriv…
The phase transitions exhibited by systems of hard spherocylinders, with a diameter D and cylinder length L, are re-examined with the isothermal–isobaric Monte Carlo (MC-NPT) simulation technique. For sufficiently large aspect ratios (L/D) the system is known to form liquid crystalline phases: isotropic (I), nematic (…
Abstract The synthetic conditions of highly ordered and thermally stable mesoporous molecular sieves from a layered silicate kanemite are established. We divided the formation process of the mesoporous materials from kanemite into two elemental processes: i) exchange of Na+ in the interlayer of kanemite for alkyltrime…
Solute segregation at grain boundaries has been correlated with grain‐boundary conductivity in high‐purity 15‐mol%‐CaO‐stabilized ZrO 2 . STEM measurements of solute coverage show that the segregation of impurity silicon (present at bulk levels <80 ppm) is grain‐size dependent. The boundary coverage of silicon can…
Polylactide, sometimes called polylactic acid (PLA), meets many requirements as a packaging thermoplastic and is suggested as a commodity resin for general packaging applications. Its general physical properties and melt processing ease are similar to conventional packaging resins. PLA slowly degrades by hydrolysis in…
* NOTE: Each Part begins with an Introduction, and ends with Problems and References. Mixtures and Interfaces * Complex Materials and Interfaces * Review of Classical Statistical Mechanics * Phase Separation in Binary Mixtures * Differential Geometry of Surfaces * Review of Hydrodynamics Interfacial Tension * Free Ene…
Two recursive and numerically stable matrix algorithms for modeling layered diffraction gratings, the S-matrix algorithm and the R-matrix algorithm, are systematically presented in a form that is independent of the underlying grating models, geometries, and mountings. Many implementation variants of the algorithms are…
Gold nanocrystals passivated by self‐assembled monolayers of straightchain alkylhiolate molecules have been obtained as highly purified molecular materials of high intrinsic stability. Evidence is presented for a predicted discrete sequence of energetically optimal fcc structures of a truncated octahedral morphologica…
Semi-interpenetrating polymer networks (IPNs) composed of poly(methyl methacrylate) (PMMA) and aromatic/aliphatic siloxanes have been made via sequential and simultaneous polymerizations. As the percentage of aliphatic siloxane increases, flexibility and, in general, toughness of the IPNs increases and clarity is redu…
The crystal structure of the paramagnetic derivative (pentamethylcyclopentadienyl)(tetramethylfulvene)titanium(III) (Cp*FvTi) is reported. The structural data confirm the previously surmised π-η 5:σ-η 1 bonding mode for the tetramethylfulvene ligand.
The hexasilsesquioxanes (RSiO 1.5 ) 6 ( 1, R = 1,1,2-trimethylpropyl; 2, R = tert -butyl) were synthesized by a new method: condensation of the corresponding silanetriol, RSi(OH) 3, or 1,1,3,3-tetrahydroxydisiloxane, (HO) 2 RSiOSiR(OH) 2, using dicyclohexylcarbodiimide (DCC) as a dehydrating reagent in DMSO or DMF.
The review deals with aspects of the modelling of the compositions and properties of inorganic compounds with tetrahedral anions on the basis of crystal-chemical information. One of the possible algorithms employing crystal-chemical data for the modelling of the compositions, structures, and properties of new compound…
The reaction of acid chlorides with poly(vinyl alcohol) (PVA) leads to vinyl alcohol-vinyl ester copolymers. The esterification by Schotten-Baumann enables degrees of modification to be reached which depend on the chemical structure of the pendant unit introduced. High degrees of modification were obtained in the reac…
Anionomer-type waterborne polyurethanes (PUs) were obtained from poly(β-methyl-δ-valerolactone) glycol (PMVL) and isophorone diisocyanate, following a prepolymer mixing process. The soft-hard segment phase separation in response to the variations of composition and structure of PU has been studied from the dynamic mec…
Dependences of an irreversible response (memory effect) of suspension 'liquid crystal -- aerosol' on the ingredient's properties and electric field parameters are investigated. The experimental results are discussed in the frame of a model of a network organization of aerosol in a nematic liquid crystal.
The dynamic structure factor of glycerol and LiCl:6${\mathrm{H}}_{2}$O glasses, measured by inelastic x-ray scattering, shows modes dispersing linearly with momentum in the 2-8 ${\mathrm{nm}}^{\ensuremath{-}1}$ region. This finding demonstrates that acousticlike propagating modes can exist in glasses up to wavelengths…