Materials Literature
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Using the full-potential linearized-augmented-plane-wave (FLAPW) method, we have analyzed systematically the trends in the structural and electronic properties of the 3d and 4d transition-metal oxides SrMO_3 (M = Ti, V, Zr and Nb). The optimized lattice parameters, bulk modules, densities of states, band structures an…
Coherent bremsstrahlung of high energy electrons moving in a three-dimensional imperfect periodic lattice consisting of a complicated system of atoms is considered. On the basis of the normalized probability density function of the distribution of atomic centers in the fundamental cell the relations describing coheren…
Atomistic molecular dynamics simulations are used to study generation 5 polyamidoamine (PAMAM) dendrimers immersed in a bath of water. We interpret the results in terms of three classes of water: buried water well inside of the dendrimer surface, surface water associated with the dendrimer-water interface, and bulk wa…
The Volmer-Weber mode for growing polycrystalline films, which comprises island, network, and channel stages before the films become continuous, is well known for its complex stress behavior with compressive and tensile stress alternating in the initial three growth stages. Recently, two new mechanisms for the compres…
The influence of twin boundaries on the heat capacity and diffuse scattering in a crystal is described within the framework of a macroscopic dynamic theory.
This article presents a characterization and evaluation of silicon carbide for high-velocity impact. This includes a wide range of loading conditions that produce large strains, high strain rates, and high pressures. Experimental data from the literature are used to determine constants for the Johnson–Holmquist–Beisse…
We apply a first-order reversal curve (FORC) diagram analysis to a perpendicular nickel nanopillar array. We find that the FORC diagram signature of this system consists of a two-branch ``wishbone'' structure. Two distinct negative regions are also observed, along with a prominent reversible ridge. The objective of th…
Ionic liquids (ILs) have been used as electrolytes for supercapacitors. Two phosphonium salts such as trihexyl(tetradecyl)phosphonium bis(trifluoromethylsulfonyl)imide (IL1) and trihexyl(tetradecyl) phosphonium dicyanamide (IL2) have been selected for this target. To decrease the viscosity of ILs, a small amount of ac…
A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material and a dimensionless periodic function that restores the translation invariance of…
Within the ``anisotropic relaxation time'' approach to transport processes, I obtain a new geometric formula for the weak-field Hall conductivity of metals, which generalizes previously-known formulas due to Tsuji (restricted to cubic 3D metals) and Ong (for 2D metals).
The pioneer work of Krim and Widom unveiled the origin of the viscous nature of friction at the atomic scale. This generated extensive experimental and theoretical activity. However, fundamental questions remain open like the relation between sliding friction and the topology of the substrate, as well as the dependenc…
Polycrystalline BiFeO3 thin films were fabricated on (111)Pt∕Ti∕SiO2∕Si substrates via Bi-acetate- and Fe-acetylacetonate-based chemical solution deposition and spin-coating techniques. The processing parameters were optimized in order to obtain films with high resistivity. The optical properties (refractive indices a…
We study fluid flow in the vicinity of textured and superhydrophobically coated surfaces with characteristic texture sizes on the order of 10μm. Both for droplets moving down an inclined surface and for an external flow near the surface (hydrofoil), there is evidence of appreciable drag reduction in the presence of su…
Targeted drug delivery is an important research area in specific therapy. Transferrin-conjugated nanoparticles are an attractive formulation as a vehicle for specific cellular uptake and targeted drug delivery. In this report, atomic force microscopy imaging was used to visualize the process of cellular uptake of tran…
We report a general synthetic method for the formation of shape-controlled CdS, CdSe and CdTe nanocrystals and mixed-semiconductor heterostructures. The crystal growth kinetics can be manipulated by changing the injection rate of the chalcogen precursor, allowing the particle shape-spherical or rodlike-to be tuned wit…
<div class="htmlview paragraph">A strategy for performing transient computational fluid dynamics simulations of systems consisting of exhaust manifolds and close-coupled catalytic converters is described. The motivation for performing such a simulation is discussed, with reference to the literature, and a descri…
The correlation between the magnetic behavior and intergranular residual strain was investigated on several mild steel samples which were plastically deformed in the range 0.5%–20% engineering strain followed by unloading. At low deformation levels (0.5%–∼2%) the samples exhibited Luders banding, but after 2% strain t…
<div class="htmlview paragraph">The selective catalytic reduction (SCR) of nitrogen oxide (NO<sub>x</sub>) with ammonia (NH<sub>3</sub>) or urea ((NH<sub>2</sub>)<sub>2</sub>CO) as a reductant is becoming a promising method for near future diesel exhaust emission c…
<div class="htmlview paragraph">Palladium is well known to catalyze methane (CH<sub>4</sub>) oxidation more efficiently than platinum (Pt) and/or rhodium (Rh) catalysts. The mechanism for methane oxidation on palladium is hypothesized to proceed via a radical intermediate. Direct identification of a…
Holtstamite, Ca3(Al,Mn3+)2(SiO4)3-x(H4O4)x, a new tetragonal hydrogarnet from Wessels Mine, South Africa