Materials Literature
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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…
Tissue engineering scaffolds capable of sustained plasmid release can promote gene transfer locally and stimulate new tissue formation. We have investigated the scaffold design parameters that influence the extent and duration of transgene expression and have characterized the distribution of transfected cells. Porous…
Reaction of NaN(3) with the [Cu(II)(tn)](2+) ion (tn = 1,3-diaminopropane) in basic aqueous solution yields the azido-bridged complex of formula [Cu(2)(tn)(2)(N(3))(4)] (1), which is characterized by X-ray crystallography. The structure of 1 is made up of dinuclear neutral complexes, of formula [Cu(2)(tn)(2)(N(3))(4)]…
Slow crack propagation in ductile, and in certain brittle materials, appears to take place via the nucleation of voids ahead of the crack tip due to plastic yields, followed by the coalescence of these voids. Postmortem analysis of the resulting fracture surfaces of ductile and brittle materials on the microm-mm and t…
This is a review article of our work on hysteresis, avalanches, and criticality. We provide an extensive introduction to scaling and renormalization--group ideas, and discuss analytical and numerical results for size distributions, correlation functions, magnetization, avalanche durations and average avalanche shapes,…
The thermal conductivity of individual multiwalled carbon nanotubes (outer diameter of ∼45nm) was obtained by employing the 3-ω method. To this end, the third-harmonic amplitude as a response to the applied alternate current at fundamental frequency (ω) is expressed in terms of thermal conductivity. A microfabricated…