Materials Literature
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A new microcalorimeter for measuring heats of adsorption on clean single-crystal surfaces is described, and its operational characteristics are presented. The principle is similar to that pioneered by David King’s group: A pulse of gas from a molecular beam adsorbs on an ultrathin single crystal’s surface, causing a m…
The influence of microstructure on the corrosion rate of steels in a carbon dioxide (CO2)-containing aqueous solution was measured experimentally as a function of pH, temperature, and partial pressure of CO2. An attempt was made to quantify and relate the microstructure to the corrosion rate. The effect of alloy micro…
The thermal conductivities of α-Al2O3 and κ-Al2O3 wear-resistant coatings are measured using the 3ω method in the temperature range 80<T<600 K. The coatings are 13 μm thick and deposited by chemical vapor deposition on substrates of Co-cemented WC. The α-Al2O3 coating has a thermal conductivity comparabl…
The effect of O16→O18 isotope exchange on the electric resistivity was studied for (La1−yPry)0.7Ca0.3MnO3 ceramic samples. It was found that at y=0.75, the substitution of O16 by O18 results in the reversible transition from a ferromagnetic metal (FM) to charge ordered (CO) insulator at zero magnetic field. The applie…
Local spin density approximation calculations are used to elucidate electronic and magnetic properties of the Heusler structure ${\mathrm{Fe}}_{2}\mathrm{VA}1$. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets derived from a triply degenerate Fe derived state at $\e…
We use first-principles density-functional total-energy and polarization calculations to calculate the piezoelectric tensor at zero temperature for both cubic and simple-tetragonal ordered supercells of ${\mathrm{Pb}}_{3}{\mathrm{GeTe}}_{4}.$ The largest piezoelectric coefficient for the tetragonal configuration is en…
The structural properties of the (Zn, Mg) (S, Se) solid solutions are determined by a combination of the computational alchemy and the cluster expansion methods with Monte Carlo simulations. We determine the phase diagram of the alloy and show that the homogeneous phase is characterized by a large amount of short-rang…
In this paper we present a computer simulation study of the phase behavior of the Gay-Berne liquid crystal model, concentrating on the effects of varying the molecular elongation $\ensuremath{\kappa}.$ We study a range of length-to-width parameters $3<~\ensuremath{\kappa}<~4,$ using a variety of molecular dynami…
A novel technique for suppression of the multi-photon fluorescence contribution in second-order nonlinear optical hyper-Rayleigh scattering experiments is described. The technique takes advantages of the demodulation and the phase shift in the frequency domain of the time-delayed (multi-photon) fluorescence in the tim…
We invesitgate the electronic correlation effect on the ground-state properties of the double exchange model for manganites by using a semiclassical approach and the slave-boson technique. It is shown that magnetic feild has a similar effect on the canted angle between manganese spins as doping concentration does, and…
Active material actuators, sometimes referred to as "smart" actuators, are gaining widespread use for control actuation. Many of these actuators exhibit hysteresis to some degree between their input and output response. There exists an extensive body of research concerning the modeling of hysteresis for the linearizat…
Computer simulations of a hard sphere system close to the glass transition are presented. From three-time correlations, we obtain information about the single-particle dynamics on all relevant time scales, including the presence of dynamic heterogeneities. A detailed picture of the cage effect in the $\ensuremath{\bet…
This paper focuses on the similarities and differences between metamorphic \ngraphite (formed in situ from organic matter) and fluid-deposited graphite. \nWe discuss the formation of fluid-deposited graphite in terms of the source of \ncarbon, the characteristics of the C-bearing fluids (the C-O-H system),…
Crack‐tip bridging by particles is considered to be one of the primary strengthening mechanisms of ceramic nanocomposites. Small, brittle particulate inclusions have been shown to cause crack‐tip bridging at short distances behind the crack tip. This mechanism leads to modest toughness but a very steep R ‐curve, and i…
We investigate the nature of atomic relaxations around oxygen-vacancy defects in the ferroelectric perovskite ${\mathrm{PbTiO}}_{3}$ through first-principles pseudopotential total energy calculations. A tail-to-tail polarization is one of the patterns that emerges from atomic relaxations around oxygen vacancies and it…
We consider the dynamical systems arising from substitution tilings. Under some hypotheses, we show that the dynamics of the substitution or inflation map on the space of tilings is topologically conjugate to a shift on a stationary inverse limit, i.e. one of R. F. Williams' generalized solenoids. The underlying space…
The formation of twodimensional nanowire arrays by the selfassembly and subsequent fusion of ellipsoidal silver nanocrystals is described (see also cover). It is demonstrated that the shape of the particle provides a route to control the geometry of self-assembled nanocrystal arrays—spherical dodecanethiol-capped Ag n…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTSonochemical Synthesis of Nanostructured Molybdenum SulfideMillan M. Mdleleni, Taeghwan Hyeon, and Kenneth S. SuslickView Author Information School of Chemical Sciences University of Illinois at Urbana-Champaign 601 South Goodwin Avenue, Urbana, Illinois 61801 Cite thi…
Transparent aluminum‐doped zinc oxide (ZnO) films were prepared via the sol‐gel method on silica‐glass substrates from 2‐methoxyethanol solutions of zinc acetate and aluminum chloride that contained monoethanolamine. Dip coating was conducted at room temperature, with substrate withdrawal rates of 1.2‐7.0 cm/min. Afte…
The fourth generation tridendron dendrimer based on 2,2-bis(hydroxymethyl)propionic acid (bis-MPA) with 48 hydroxyl groups was synthesized in high yields using N, N ‘-dicyclohexylcarbodiimide (DCC) for the coupling steps. A double-stage convergent approach reduced the number of synthetic and liquid chromatographic ste…