Materials Literature
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Abstract A series of hyperbranched polymers functionalized with long aliphatic chains has been prepared and characterized. The property of films prepared from these polymers to encapsulate lipophilic polyaromatic pollutants dissolved in water has been established. The level of pyrene and fluoranthene remaining in wate…
Density functional theory (DFT) and time-dependent DFT calculations were carried out to comparatively describe the molecular structures, molecular orbital energy gaps, atomic charges, infrared (IR) and Raman spectra, and UV-vis spectra of PbPc (1), PbPc(alpha-OC2H5)4 (2), and PbPc(alpha-OC5H11)4 (3) {Pc2- = dianion of…
This paper proposes an extension-neural-network (ENN)-based recognition method to identify the partial-discharge (PD) patterns of high-voltage current transformers (HVCTs). First, a commercial PD detector is used to measure the three-dimensional (3D) PD patterns of cast-resin HVCTs, then three data preprocessing schem…
Mixed cationic liposomes composed by different ratios of dimyristoyl-sn-glycero-phosphatidylcoline (DMPC) and a cationic gemini surfactant have been studied by various physicochemical tools as vehicles for m-tetrahydroxyphenylchlorin (m-THPC), a photosensitizer used in photodynamic therapy. Entrapment and location of…
Temperature-modulated differential scanning calorimetry (TMDSC) is used to study the heat capacity ( C p ) of monodisperse polystyrene in the nanocomposites. It is found that the bulk portion of polystyrene in the nanocomposites has a similar temperature range of glass transition behavior as pure polystyrene, while th…
The occupation site and the behavior of the phosphorus atom in $\ensuremath{\alpha}$ iron is investigated by ab initio density functional theory based calculations. The interaction of P with vacancy and self-interstitial atoms is discussed. The migration energies associated to diffusion by vacancy mechanism are determ…
Transformer modeling for transient simulations has many challenges because of nonlinear and frequency-dependent behavior. Some of the model parameters are relatively easy to obtain from standard factory tests. Other parameters can only be obtained from special tests or by estimation. This paper provides guidelines for…
Transparent polyurethane hybrid containing an inorganic open cage polyhedral oligomeric silsesquioxane was synthesized for thin film applications. The resulting material was characterized using various spectroscopic, microscopic, thermal, and scattering techniques. Modulated differential scanning calorimetry (MDSC) in…
Monolayers of silica particles at horizontal and vertical octane-water interfaces have been studied by microscopy. It is found that their structure and stability depend strongly on the particle hydrophobicity. Very hydrophobic silica particles, with a contact angle of 152 degrees measured through the water, give well-…
Mercaptoacetic acid-modified CdS nanoparticles disperse selectively in the poly(4-vinylpyridine) domains of poly(styrene- b -4-vinylpyridine) (S4VP) block copolymer as a result of the formation of hydrogen bonds. This process in turn induces the morphological transformation of S4VP from a hexagonally packed cylinder s…
We create collectively jammed (CJ) packings of 50-50 bidisperse mixtures of smooth disks in two dimensions (2D) using an algorithm in which we successively compress or expand soft particles and minimize the total energy at each step until the particles are just at contact. We focus on small systems in 2D and thus are…
The growth of gold nanorods can be arrested at intermediate stages by treatment with Na(2)S, providing greater control over their optical resonances. Nanorods prepared by the seeded reduction of AuCl(4) in aqueous cetyltrimethylammonium bromide solutions in the presence of AgNO(3) typically exhibit a gradual blueshift…
ZnO nanopencils were synthesized on a silicon wafer without catalysts at a low temperature of 550 ° C through a simple two-step pressure controlled thermal evaporation. Penholders were well-hexagonal faceted and the diameter of pen tips on the nanopencils was in the range of 20–30 nm. High-resolution transmission elec…
We extend our previous shell effect observation in gold nanowires at room temperature under ultra high vacuum to the other two noble metals: silver and copper. Similar to gold, silver nanowires present two series of exceptionally stable diameters related to electronic and atomic shell filling. This observation is in c…
Abstract The biodegradation of poly(butylene succinate) (PBS) was studied under controlled composting conditions. The ultimate biodegradation percentage revealed that the powder‐formed sample showing the best biodegradability may be ascribed to the largest specific surface. The biodegradation process of PBS under cont…
We have performed an extensive computational study of $\ensuremath{\gamma}\text{\ensuremath{-}}{\mathrm{Al}}_{2}{\mathrm{O}}_{3}$, beginning with the geometric analysis of approximately 1.47 billion spinel-based structural candidates, followed by derivative method energy minimization calculations of approximately 122…
The impedimetric sensing of DNA hybridization on polyaniline/polyacrylate (PANI/PAA)-modified boron-doped diamond (BDD) electrode has been investigated. An ultrathin film of PANI-PAA copolymer was electropolymerized onto the diamond surfaces to provide carboxylic groups for tethering to DNA sensing probes. The electro…
A phenomenon recently coined as ``overaging'' implies a slowdown in the collective (slow) relaxation modes of a glass when a transient shear strain is imposed. We are able to reproduce this behavior in simulations of a supercooled polymer melt by imposing instantaneous shear deformations. The increases in relaxation t…
Amorphous solids exhibit intrinsic, local structural transitions, that give rise to the well known quantum-mechanical two-level systems at low temperatures. We explain the microscopic origin of the electric dipole moment of these two-level systems: The dipole emerges as a result of polarization fluctuations between ne…
Exotic superconducting properties of Sr$_{2}$RuO$_{4}$ have provided strong support for an unconventional pairing symmetry. However, the extensive efforts over the past decade have not yet unambiguously resolved the controversy about the pairing symmetry in this material. While recent phase-sensitive experiments using…