Materials Literature
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We present a theoretical density functional study of the electronic, magnetic, and transport properties of digital ferromagnetic heterostructures, obtained by delta doping GaAs with Mn. In the absence of intrinsic donors these systems have a half metallic density of states, with an exchange interaction much stronger t…
Efficient and faithful parallel simulation of large asynchronous systems is a challenging computational problem. It requires using the concept of local simulated times and a synchronization scheme. We study the scalability of massively parallel algorithms for discrete-event simulations which employ conservative synchr…
Scanning tunneling microscopy has been used to identify the adsorption site of ${\mathrm{H}}_{2}\mathrm{O}$ on ${\mathrm{TiO}}_{2}(110)\ensuremath{-}(1\ifmmode\times\else\texttimes\fi{}1)$ at 150 K, and to monitor the site of the dissociation products at 290 K. Water adsorbs onto the rows of fivefold coordinated Ti at…
The crystal structure of Fe(3)O(4) below the 122 K Verwey transition has been refined using high-resolution x-ray and neutron powder diffraction data. The refinements give direct evidence for charge ordering (CO) over four independent octahedral Fe sites, two with a charge of +2.4 and the other two of +2.6. CO schemes…
Through an interplay between scanning tunneling microscopy experiments and density functional theory calculations, we determine unambiguously the active surface site responsible for the dissociation of water molecules adsorbed on rutile TiO(2)(110). Oxygen vacancies in the surface layer are shown to dissociate H(2)O t…
Abstract Blends of wholly aromatic new thermoplastic polyimide (N‐TPI) and poly(ether sulfone) (PES) were prepared by melt‐mixing and subsequent injection molding. Their mechanical properties, morphology, and crystallization behavior were investigated. A synergistic effect on the flexural properties was observed for t…
We consider the microstructure evolution of a non-equilibrium system of primary defects, in which mobile point defects, vacancy loops, and sessile interstitial clusters are continuously produced by cascade damage irradiation. The stability of a spatially homogeneous microstructure is analysed. It is found that in full…
Addition of water to the AlO(OH)(g) molecule and to the corresponding binuclear anhydride Al2O3(g) are studied by means of quantum chemistry. The AlO bond and the Al–O–Al bridge are found to be highly reactive towards water, and the final products are determined as Al(OH)3(g) and the dimer Al2(OH)6(g). The addition of…
Hybrid films of the nematic liquid crystal penthylcyanobiphenyl (5CB) on the surface of glycerol were studied in the presence of an in-plane electric field. In this geometry there is a macroscopic flexoelectric polarization P(f) with a component in the film plane that couples linearly to the field. Here we report the…
Abstract Hydrogenation of carboxylic styrene–butadiene rubber latex was carried out using hydrazine and hydrogen peroxide with ferrous sulfate as a catalyst without pressurized hydrogen and an organic solvent. A mixed inhibitor was used during hydrogenation to prevent gel formation. Various hydrogenation conditions we…
Abstract Self‐assembled films of poly( o ‐ethoxyaniline)—POEA alternated with sulfonated lignin (SL)—were successfully produced, and their kinetics of formation and growth investigated for different dopants (hydrochloric acid, methanesulfonic acid, p ‐toluenesulfonic acid, and camphorsulfonic acid). These films were c…
Blends of polystyrene (PS) and polyurethane (PU) elastomer were obtained by melt mixing, using poly(styrene-co-maleic anhydride) (SMA) containing 7 wt % of maleic anhydride groups as a reactive compatibilizer. Polyurethanes containing polyester flexible segments, PU-es, and polyether flexible segments, PU-et, were use…
The morphology of silk produced by recluse spiders (Loxosceles arizonica) was investigated by scanning electron microscopy, atomic force microscopy, and transmission electron microscopy. This silk consisted entirely of very long, thin ribbons of width 2-4 microm and thicknesses of no more than 40 nm. The correspondenc…
Abstract Poly(trimethylene terephthalate) (PTT)‐based mono and bico meltblown webs have been produced by using a Reicofil® Bi‐Component Meltblown Line at TANDEC, located at the University of Tennessee, Knoxville, TN. Thermal and flow properties of PTT were first examined by DSC (differential scanning calorimetry) and…
In the field of the science of flow and deformation of matter (rheology), the so-called Deborah number plays an important role, since it describes the influence of time on the observed flow properties. The technique of thermally stimulated depolarisation currents (TSDC) constitutes a dielectric technique whose experim…
We describe a novel method to control the shape and size of Au nanoparticles using a protection–reduction technique. The remarkable feature of this method is that the reducing and protecting agents were mixed first prior to addition to the solution of KAu(CN)2.The reactivity and concentration of reducing agent, the mo…
In this paper, the experimental results of the study of the behaviour of three-layer solid dielectrics in high electric field are presented. The breakdown voltage and the breakdown channel forms depend on factors such as the position of the boundaries between layers in the gap, the ratio of permittivities of layer mat…
We have measured the thermal conductivity of glassy glycerol between 1.5 and 100 K, as well as the specific heat of both glassy and crystalline phases of glycerol between 0.5 and 25 K. We discuss both low-temperature properties of this typical molecular glass in terms of the soft-potential model. Our finding of an exc…
New layered inorganic−organic magnesium organosilicates were prepared by a single-step template sol−gel synthesis through the reaction of magnesium ions with a synthetic homologous series of urea−alkoxysilanes with the general formula (CH 3 CH 2 O) 3 Si(CH 2 ) 3 NHC(O)NH(CH 2 ) n CH 3, for n = 2, 4, and 6. The nanocom…
A hydrophobic core is a widely accepted determinant of protein stability. However, regulatory proteins undergoing ligand-induced conformational switching may expose interior residues to solvent and cannot afford to be extremely rigid. Optimizing the energetic balance between stability and binding is challenging. The a…