Search results for "Diffraction"

Physical properties of (1−x)Ba0.95Pb0.05TiO3+xCo2O3 (x=0, 0.1, 0.3, 0.5, 1.0, 2.0wt%) ceramics

2015

The paper reports studies of the (1−x)Ba0.95Pb0.05TiO3 – xCo2O3 (x≤0.02) ceramics. Results of X-ray powder diffraction, dielectric, magnetic and IR measurements, as well as ab initio simulations are presented. The Co-doping induces small decrease of the (c/a) tetragonality of the perovskite lattice and leads to the gradual shift of the ferroelectric transition temperature from 398 K for x=0 down to 357 K for x=0.02. The conductivity activation energies are in the range 0.8–0.9 eV in agreement with the calculations. The high-temperature conductivity can be ascribed by the migration of oxygen vacancies introduced to compensate the charge deficiency due to Co3+ valence at the B-site of the per…

Organic solvent vapor effects on phase transition of α and β tegafur upon grinding with solvent additives.

2012

Abstract Solvent effects on α tegafur (5-fluoro-1-(tetrahydro-2-furyl)uracil) phase transition to β tegafur during grinding with solvent additive, as well as phase transition in samples exposed to 95% relative solvent vapor pressure has been studied in this research. Samples containing 0.5% and 0.1% of β tegafur in α and β tegafur mixture, as well as samples of pure α tegafur were ground with different solvent additives, and conversion degrees depending on the solvent were determined using PXRD method. Samples with α and β tegafur weight fraction of 1:1 were exposed to 95% relative solvent vapor pressure, and phase transition rates were determined. Solubility of α tegafur, solvent sorption …

Polymorphism and solvates of flecainide base

2013

Flecainide base is pharmaceutically active substance used for production of flecainide acetate which is known in market as Tambacor, Almarytm, Apocard, Ecrinal or Flecaine. It is determined that flecainide base forms four polymorphic forms abbreviated as Ib, IIb, IIIb and IVb. Flecainide base form Ib is thermodynamically stable form at laboratory temperature while form IIIb is stable at higher temperatures. Flecainide form Ib absorbs water in its structure between layers and forms non-stoichiometric hydrate. Flecainide base binds with organic solvents and form monosolvates. Flecainide base form Ib crystallizes in orthorhombic crystals with lattice parameters a = 27.88 Å, b = 13.78 Å, c = 9.…

Off-axis focal shift for rotationally nonsymmetric screens

2009

We report on an analytical formulation for evaluating the amplitude distribution along any line directed toward the geometrical focus of a spherical wave front that passes through a rotationally nonsymmetric diffracting screen. Our formula consists of two factors. The first factor involves the one-dimensional Fourier transform of the projection of the screen function onto the off-axis line. The second factor depends on the inverse distance to the screen and permits us to recognize the existence of focal shift along off-axis lines.

Dynamic wavefront sensing and correction with low-cost twisted nematic spatial light modulators

2010

Off-the-shelf spatial light modulators (SLMs), like twisted nematic liquid crystal displays (TNLCDs) used in projection systems, show some interesting features such as high spatial resolution, easy handling, wide availability, and low cost. We describe a compact adaptive optical system using just one TNLCD to measure and compensate optical aberrations. The current system operates at a frame rate of the order of 10 Hz with a four-level codification scheme. Wavefront estimation is performed through conventional Hartmann–Shack sensing architecture. The system has proved to work properly with a maximum rms aberration of 0. 76 μm and wavefront gradient of 50 rad/mm at a wavelength of 514 nm. The…

Considerations on the electromagnetic flow in Airy beams based on the Gouy phase

2012

We reexamine the Gouy phase in ballistic Airy beams (AiBs). A physical interpretation of our analysis is derived in terms of the local phase velocity and the Poynting vector streamlines. Recent experiments employing AiBs are consistent with our results. We provide an approach which potentially applies to any finite-energy paraxial wave field that lacks a beam axis. This research was funded by the Spanish Ministry of Economy and Competitiveness under the project TEC2009-11635.

Wavelength compensation of broadband light diffraction

1998

A tangent formula derived from Patterson-function arguments. VII. Solution of inorganic structures from powder data with accidental overlap

2000

Accidental overlap constitutes one of the principal limitations for the solution of crystal structures from powder diffraction data, since it reduces the number of available intensities for direct-methods application. In this work, the field of application of the direct-methods sum function is extended to cope with powder patterns with relatively large amounts of accidental overlap. This is achieved by refining not only the phases of the structure factors but also the estimated intensities of the severely overlapped peaks during the structure solution process. This procedure has been specifically devised for inorganic compounds with uncertain cell contents and with probable severe atomic di…

From Mannose to Small Amphiphilic Polyol: Perfect Linearity Leads To Spontaneous Aggregation

2016

Terminally unsaturated and diastereochemically pure polyol derived from d-mannose shows spontaneous aggregation behavior in water solution. In order to study and clarify this unforeseen phenomenon, a conformational study based on NMR spectroscopy combined with ab initio structure analysis using the COSMO-solvation model was pursued. The results, together with X-ray diffraction studies, suggest a low energy linear conformation for this particular substrate both in solid states and in solution. For such small-sized acyclic carbohydrate derivatives, the linear conformation appears to be a key prerequisite for the unusual molecular self-assembly reported herein. peerReviewed

Polystyrene nanoparticle-templated hollow titania nanosphere monolayers as ordered scaffolds

2018

We report a novel multi-step method for the preparation of ordered mesoporous titania scaffolds and show an illustrative example of their application to solar cells. The method is based on (monolayer) colloidal nanosphere lithography that makes use of polystyrene nanoparticles organised at a water–air interface and subsequently transferred onto a solid substrate. A titania precursor solution (titanium(IV) isopropoxide in ethanol) is then drop-cast onto the monolayer and left to “incubate” overnight. Surprisingly, instead of the expected inverse monolayer-structure, a subsequent calcination step of the precursor yields an ordered monolayer of hollow titania nanospheres with a wall thickness …