The modelling of oxide film entrainment in casting systems using computational modelling

As Campbell stated in 2006, “the use of entrainment models to optimise filling systems designs for castings has huge commercial potential that has so far being neglected by modellers”. In this paper a methodology using computational modelling to define entraining events and track the entrained oxide films is presented. Research has shown that these oxide films present within the casting volume are highly detrimental to casting integrity, thus their entrainment during mould filling is especially undesirable.The method developed for the modelling of oxide entrainment has been validated against previously published data by Green and Campbell (1994) [31]. The validation shows good quantitative correlation with experimental data. However there is scope for further development which has the potential to both improve the accuracy and further validate the technique.     

IR Spectrum of C8H2: Integrated Band Intensities and Some Observational Implications

Polyynes are of astrophysical interest since they appear to be involved in organic chemistry in very different mediums. In Titan's atmosphere, the lightest polyyne, C₄H₂, was detected by Voyager. Recently C₄H₂ and C₆H₂ have been discovered in a protoplanetary nebula, suggesting polyynes as a possible chemical pathway to PAH (polycyclic aromatic hydrocarbons). Moreover, several experimental simulations and modeling imply their production from the photochemistry of methane and their involvement in the formation of organic aerosols. After the study of C₄H₂ and C₆H₂ spectra in the UV and IR wavelength range, we report here the first spectrum of gaseous C₈H₂ in the range 400–4000 cm⁻¹ at room temperature and low resolution. The task was hardly achieved because of the high instability of this molecule with temperature and pressure. To avoid exothermic polymerization, the compound as mixed with a solvent. We have performed a separate spectroscopic study of the solvent to determine C₈H₂ partial pressure within the mixture. This allowed us to calculate C₈H₂ integrated band intensities. In the studied wavelength range, C₈H₂ presents three main bands similar to those of C₆H₂ in terms of vibrational type, position, and relative intensity. To study the possible identification of these polyynes by spatial observatories (Cassini–Huygens, ISO), we have also measured the C₆H₂ and C₈H₂ infrared spectra in the range 400–1500 cm⁻¹ at 0.35 cm⁻¹ resolution.     

On the behavior of the Lorenz equation backward in time

The sets of solutions to the Lorenz equations that exist backward in time and are bounded at an exponential rate determined by the eigenvalues of the linear part of the equation are examined. The set associated with the middle eigenvalue is shown to project surjectively onto a plane, thereby providing a lower estimate for its dimension. Specific bounds are also found for a cone containing this set.     

Two-dimensional invariant manifolds and global bifurcations: some approximation and visualization studies

We illustrate and discuss the computer-assisted study (approximation and visualization) of two-dimensional (un)stable manifolds of steady states and saddle-type limit cycles for flows in R ⁿ . Our investigation highlights a number of computational issues arising in this task, along with our solutions and “quick-fixes” for some of these problems. Two examples illustrative of both successes and shortcomings of our current approach are presented. Representative “snapshots” demonstrate the dependence of two-dimensional invariant manifolds on a bifurcation parameter as well as their interactions. Such approximation and visualization studies are a necessary component of the computer-assisted study and understanding of global bifurcations. This revised version was published online in June 2006 with corrections to the Cover Date.     

Generation of arbitrary waveforms with electro-optic pulse-shapers for high energy—multimode lasers

Precisely controlled pulse-shaping operation with large-aperture high-energy laser beams may imply numerous limitations when some minimal flexibility together with high optical performance are required. This paper presents an original electro-optical concept for the production of very high dynamic range arbitrary-waveforms with high temporal resolution, using laser–diode coupled photo-conductive bars coupled onto large coplanar micro-strip lines. This concept simply involves a short-impulse high-voltage generator at the input and a standard Pockels cell at the output. A number of prototypes have been tested on large-aperture fast Pockels cells for the validation of both electrical and optical performance. Such pulse-shapers may find specific applications in the field of optical smoothing related to fusion lasers and other areas, i.e. whenever one needs to provide computer-controlled, low- or high-voltage, pulses with any pre-defined arbitrary waveform. Apart from the coupling application to a Pockels cell, this concept is fully scalable for higher electrical energies and higher voltages.     

Peptide Conjugates of a Nonsteroidal Anti‐Inflammatory Drug as Supramolecular Gelators: Synthesis,Characterization, and Biological Studies

Indomethacin ( IND ), which is a well‐known nonsteroidal anti‐inflammatory drug (NSAID), was conjugated with various naturally occurring amino acids. Most of these bioconjugates were capable of gelling pure water, a solution of NaCl (0.9 wt %), and phosphate‐buffered saline (pH 7.4), as well as a few organic solvents. The gels were characterized by table‐top and dynamic rheology, and electron microscopy. Variable‐temperature ¹H NMR spectroscopy studies on a selected gel were performed to gain insights into the self‐assembly process during gel formation. Both 1D and 2D hydrogen‐bonded networks were observed in the single‐crystal structures of two of the gelators. Plausible biological applications of the hydrogelators were evaluated with the ultimate aim of drug delivery in a self‐delivery fashion. All hydrogelators were stable in phosphate‐buffered saline at pH 7.4 at 37 °C, and biocompatible in mouse macrophage RAW 264.7 cell line (3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide assay). Two of the most biocompatible hydrogelators displayed an anti‐inflammatory response comparable to that of the parent drug IND in prostaglandin E₂ assay. Release of the bioconjugates into the bulk solvent interfaced with the corresponding hydrogels indicated their plausible future application in drug delivery.     

New Synthesis of 2-Deoxy-2-fluoro-D-hexoses by Fluorination in Water

Interest in fluorinated sugars labelled with {¹⁸F} positron-emitting radionuclides as tracers for the measurement of glucose utilization in man by positron emission tomography¹ (PET) and in animals by autoradiography² has resulted in the development of numerous syntheses^3-11 of 2-deoxy-2-fluoro-D-glucose (3a). Some of these syntheses are not practical because the carbohydrate substrates for the fluorination reactions are not readily available.