Materials Literature
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High density vertical zinc oxide nanowire arrays were fabricated using highly ordered channels in anodic alumina membranes via chemical vapor deposition assisted by electrochemical deposition methods. Using conductive atomic force microscopy, the electrical transport and photoconduction of individual vertical nanowire…
This paper studies a phase field model for the mixture of two immiscible and incompressible fluids. The model is described by a nonlinear parabolic system consisting of the nonstationary Stokes equations coupled with the Allen-Cahn equation through an extra phase induced stress term in the Stokes equations and a fluid…
Here the authors report on a simple and cost-effective procedure to prepare blue luminescent colloidal silicon nanocrystals (Si-ncs) in de-ionized water at room temperature and atmospheric pressure by nanosecond pulsed laser ablation. At low laser fluences well-separated and spherical Si-ncs aggregates are formed. The…
We develop a new approach to determining LJ-EAM potentials for alloys and use these to determine the solid-liquid phase diagrams for binary metallic alloys using Kofke's Gibbs-Duhem integration technique combined with semigrand canonical Monte Carlo simulations. We demonstrate that it is possible to produce a wide-ran…
Since the development of light-responsive amino acids, the activity of numerous biomolecules has been photomodulated in biochemical, biophysical, and cellular assays. Biological problems of even greater complexity motivate the development of quantitative methods for controlling gene activity with high spatial and temp…
Spin-disorder resistivity of Fe and Ni is studied using the noncollinear density functional theory. The Landauer conductance is averaged over random disorder configurations and fitted to Ohm's law. The distribution function is approximated by the mean-field theory. The dependence of spin-disorder resistivity on magnet…
The Monte Carlo technique is used to calculate electrical as well as thermoelectric transport properties across thin-film heterostructures. We study a thin InGaAsP barrier layer sandwiched between two InGaAs contact layers, when the barrier thickness is in the $50\phantom{\rule{0.3em}{0ex}}\mathrm{nm}--2000\phantom{\r…
We use the "isoconfigurational ensemble" [Phys. Rev. Lett. 93, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass-forming molecular liquid. We show that spatially correlated clusters of low-potential-energy molecules are observable on the time scale of structural relaxation, d…
Motivated by experiments on atomically smooth layers of ${\mathrm{LaTiO}}_{3}$, a Mott insulator, sandwiched between layers of ${\mathrm{SrTiO}}_{3}$, a band insulator, a simple model for such heterostructures is studied using quasi-one-dimensional lattices and the Lanczos method. Taking both the local and long-range…
It is demonstrated that the photoluminescence intensity of optically active erbium ions positioned in close proximity of anisotropic Ag nanoparticles is significantly enhanced if the nanoparticles support plasmon modes that are resonant with the erbium emission. In addition, the photoluminescence intensity enhancement…
Bulk copper (II) oxide (CuO), heat treated at 1223K, shows extraordinarily high dielectric constant (εr∼104), almost independent of temperature (above 230K) and frequency in the kilohertz region. A sudden decrease of εr is observed at lower temperature (below 150K). X-ray photoelectron spectroscopy and high resolution…
We quantize the elastic modes in a plate. For this, we find a complete, orthogonal set of eigenfunctions of the elastic equations and we normalize them. These are the phonon modes in the plate and their specific forms and dispersion relations are manifested in low temperature experiments in ultra-thin membranes.
Roughness of $i\text{\ensuremath{-}}\mathrm{Al}\mathrm{Pd}\mathrm{Mn}$ fracture surfaces are presently analyzed. From the atomic scale up to $2--3\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$, they are shown to exhibit scaling properties hiding the cluster $(0.45\phantom{\rule{0.3em}{0ex}}\mathrm{nm})$ aperiodic structure.…
Motivated by recent experimental work, we use first-principles density functional theory methods to conduct an extensive search for low enthalpy structures of C$_6$Ca under pressure. As well as a range of buckled structures, which are energetically competitive over an intermediate range of pressures, we show that the…
Electrical resistivity evolution during precipitation in Al-Sc alloys is modeled using cluster dynamics. This mesoscopic modeling has already been shown to correctly predict the time evolution of the precipitate size distribution. In this work, we show that it leads too to resistivity predictions in quantitative agree…
We report ab initio investigations of hexagon-shaped, [111]/[0001] oriented III-V semiconductor nanowires with varying crystal structure, surface passivation, surface orientation, and diameter. Their stability is dominated by the free surface energies of the corresponding facets which differ only weakly from those of…
Highly oriented ZnO thin-film has been obtained at a very low pre-heating temperature, with the spin-coating sol-gel technique. The dependence of the c-axis orientation on the pre-heating temperature has been studied with experimental design and response surface techniques to optimize the deposition process with respe…
Abstract The use of biologically active dopants in conductive polymers allows the polymer to be tailored for specific applications. The incorporation of nerve growth factor (NGF) as a co‐dopant in the electrochemical deposition of conductive polymers is evaluated for its ability to elicit specific biological interacti…
Metal nanoparticles with different shapes have different crystallographic faces. It is therefore of interest to study the effect of the shape of metal nanoparticles on their catalytic activity in various organic and inorganic reactions. Truncated triangular silver nanoplates with well-defined planes were synthesized b…
Shape-memory polymers represent a promising class of materials that can move from one shape to another in response to a stimulus such as heat. Thus far, these systems are dual-shape materials. Here, we report a triple-shape polymer able to change from a first shape (A) to a second shape (B) and from there to a third s…