Materials Literature
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The equilibrium structure and exchange constants of ${\mathrm{CaMnO}}_{3}$ and ${\mathrm{LaMnO}}_{3}$ have been investigated using total-energy unrestricted Hartree-Fock (UHF) and localized orbital configuration interaction (CI) calculations on bulk compounds and ${\mathrm{Mn}}_{2}{\mathrm{O}}_{11}^{14\ensuremath{-}}$…
The calculation of the polarization in ferroelectric thin films is performed using an analytical solution of the Euler-Lagrange differential equation with boundary conditions with different extrapolation lengths of positive sign on the surfaces. The depolarization field effect is taken into account in the model for a…
We report the first ab initio density-functional study of the strain field and Peierls stress of isolated <111> screw dislocations in bcc Mo and Ta. The local dislocation strain field is self-consistently coupled to the long-range elastic field using a flexible boundary condition method. This reduces the mesoscopic at…
Single-bubble sonoluminescence occurs when an acoustically trapped and periodically driven gas bubble collapses so strongly that the energy focusing at collapse leads to light emission. Detailed experiments have demonstrated the unique properties of this system: the spectrum of the emitted light tends to peak in the u…
The crystal structure of the novel title diphosphate, Li(2)BaP(2)O(7), exists with a three-dimensional lattice composed of BaO(9) polyhedra linked to corner- and edge-sharing P(2)O(7) diphosphate groups, forming layers parallel to the (010) plane, the layers being linked by P[bond]O[bond]Ba bridges. Tunnels thus creat…
Thermal, rheological, and fiber spinning behavior of poly(ethylene terephthalate- co -4,4‘-bibenzoate) random copolymers containing 5−65 mol % bibenzoate (BB) units have been studied. Copolymer randomness was determined by 13 C solution NMR. Copolymers with >40 mol % BB units spin like thermotropic liquid crystals and…
The interaction between two proteins, Mefp-1 and Mefp-2, from the byssal plaque of the blue mussel, Mytilus edulis, was investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D) technique. The challenge in using a surface-sensitive technique to investigate the interaction between two strongl…
Facile formation of organometallic dendrons utilizing steric control is demonstrated, affording rapid access to nanometer-sized π-delocalized quadrupolar and octopolar complexes.
The effects of the addition of two different types of cosurfactants, n -alkylamine and n -alkyl alcohol, on the phase behavior of silicate-surfactant mesophases and the pore size of the calcined materials have been investigated using X-ray diffraction, N 2 -sorption, TG-MS, and solid state 1 H and 13 C NMR spectroscop…
The translational motion of single terrylenediimide (TDI) dye molecules incorporated into the organic part of a surfactant−silica mesostructure of a monolithic M41S host was observed by confocal microscopy. Only isotropic motion was found indicating that the channel-like motion lies below the optical resolution limit…
Ordered porous silicas with unprecedented loadings of pendant vinyl groups have been synthesized via co-condensation of tetraethyl orthosilicate (TEOS) and triethoxyvinylsilane (TEVS) under basic conditions in the presence of cetyltrimethylammonium surfactant. The resulting organosilicate-surfactant composites exhibit…
The design, synthesis and characterization of novel blue emission cationic water-soluble conjugated polymers based on the polyfluorene (PF) derivatives with amino-terminal groups are described. Water solubility was realized through quaternization of the amino group, which permits a control of the cationic degree, whic…
As Nitinol emerges to find more and more applications in medical devices and industrial commercial markets, understanding on the effects of material processing becomes increasingly important. More so than other materials, properties of Nitinol are significantly affected by its fabrication processes. There are abundant…
We describe the preparation and characterization of bioinorganic conjugates in which luminescent semiconductor CdSe-ZnS core-shell nanocrystal quantum dots (QDs) were coupled to antibodies through the use of an avidin bridge adsorbed to the nanocrystal surface via electrostatic self-assembly. Avidin, a highly positive…
Abstract Using oligoketones with different degrees of condensation ( n = 1, 10, 20), dichlorides of isophthalic and terephthalic acids and 2,2‐bis[4‐hydroxyphenyl]‐propane block ‐copolyetherether ketones (BCPEEKs) were synthesized by means of acceptor–catalytic polycondensation. Their properties were also investigated…
X-ray photoelectrons excited by x-ray standing waves (XSW) are used to study the atomic structure of the low-formation-temperature $(370\ifmmode^\circ\else\textdegree\fi{}\mathrm{C})$ interface between ${\mathrm{CaF}}_{2}$ and Si(111). The core-level shift of the photoemission spectra of the Ca atoms at the ${\mathrm{…
Abstract The vulcanization of natural rubber was studied with the sulfurating agents dipentamethylene thiuram tetrasulfide (DPTT) and tetramethylene thiuram disulfide (TMTD) in the presence of tetramethyl thiuram monosulfide (TMTM). This last accelerant affects the rate and efficiency of the vulcanization as well as t…
High-pressure infrared absorption spectroscopy is used to examine changes in local bonding upon hydrostatic compression in both ordered surfactant-templated mesoporous silica and sintered sol−gel silica with a goal of connecting atomic scale structural changes with variations in nanoscale periodicity. High-pressure IR…
A weakly charged polyelectrolyte brush in a polar−nonpolar solvent mixture is studied using a boxlike model and by numerical self-consistent-field theory. The work is a continuation of a similar study of a neutral polymer brush in a solvent mixture with a pronounced solubility gap. We study both the structure and stru…
Abstract The air penetration within a porous clothing system on a moving human being is an important physical process that considerably affects the heat and moisture resistance of the textile material. This effect of the coupled convection heat and mass exchange within the clothing system is experimentally investigate…