Overtone spectroscopy of some benzaldehyde derivatives

Overtone spectrum of o, m and p-nitrobenzaldehydes and p-chlorobenzaldehyde has been studied in 2000–12000 cm⁻¹ region. Vibrational frequencies and anharmonicity constants for aryl as well as alkyl CH stretch vibrations have been determined. We have also determined the internuclear distances for the aryl CH bond in the different molecules. The small variation observed in these distances is an indication of the substitution effect. It is observed that in the case of p-disubstituted benzens, the shift in aryl CH bond is proportional to sum of the Hammet σ of the substituents. However in the case of o-disubstituted benzenes it is only 80% of the para-substituted shift.     

Scheduling of power generation via large-scale nonlinear optimization

We investigate methods for solving high-dimensional nonlinear optimization problems which typically occur in the daily scheduling of electricity production: problems with a nonlinear, separable cost function, lower and upper bounds on the variables, and an equality constraint to satisfy the demand. If the cost function is quadratic, we use a modified Lagrange multiplier technique. For a nonquadratic cost function (a penalty function combining the original cost function and certain fuel constraints, so that it is generally not separable), we compare the performance of the gradient-projection method and the reduced-gradient method, both with conjugate search directions within facets of the feasible set. Numerical examples at the end of the paper demonstrate the effectiveness of the gradient-projection method to solve problems with hundreds of variables by exploitation of the special structure.     

Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations

Background  

Organic light emitting devices (OLED) are becoming important and characterisation of them, in terms of structure, charge distribution, and intermolecular interactions, is important. Tris(8-hydroxyquinolinato)-aluminium(III), known as Alq₃, an organomettalic complex has become a reference material of great importance in OLED. It is important to elucidate the structural details of Alq₃ in its various isomeric and solvated forms. Solid-state nuclear magnetic resonance (NMR) is a useful tool for this which can also complement the information obtained with X-ray diffraction studies.     

Anisotropic ion heating and tail generation during tearing mode magnetic reconnection in a high-temperature plasma

Complementary measurements of ion energy distributions in a magnetically confined high-temperature plasma show that magnetic reconnection results in both anisotropic ion heating and the generation of suprathermal ions. The anisotropy, observed in the C(+6) impurity ions, is such that the temperature perpendicular to the magnetic field is larger than the temperature parallel to the magnetic field. The suprathermal tail appears in the majority ion distribution and is well described by a power law to energies 10 times the thermal energy. These observations may offer insight into the energization process.     

Experimental evidence for a reduction in electron thermal diffusion due to trapped particles

New high time resolution measurements of the electron thermal diffusion χ(e) throughout the sawtooth cycle of the Madison Symmetric Torus reversed-field pinch have been made by utilizing the enhanced capabilities of the upgraded multipoint, multipulse Thomson scattering system. These measurements are compared to the χ(e) due to magnetic diffusion predicted by using information from a new high spectral resolution zero-β nonlinear resistive magnetohydrodynamic simulation performed, for the first time, at the Lundquist number of high current Madison Symmetric Torus plasmas (S≈4×10(6)). Agreement between the measured and predicted values is found only if the reduction in thermal diffusion due to trapped particles is taken into account.     

Dual energy time reversed elastic wave propagation and nonlinear signal processing for localisation and depth-profiling of near-surface defects: a simulation study

Nonlinear Elastic Wave Spectroscopy (NEWS) relies on the activation of defects by wave energy that propagates through the medium. In general, the response of activated defects will not scale linearly with the excitation amplitude, and the resulting nonlinear signatures can be identified and used for quality inspection. The efficiency of NEWS based inspection methods is therefore intrinsically linked to the locally deposited activation energy at the defect zone and the ability to generate nonlinear signatures that exceed the noise level of acquisition. Time Reversal techniques allow focusing of high levels of energy in small areas, and are consequently very useful for the local activation of defected zones. In this report, numerical simulations are reported showing the potential of a combination consisting of dual energy reciprocal Time Reversal and nonlinearity filtering using the Scaling Subtraction Method. The method is applied to the detection of planar near-surface defects parallel to the surface in a 2D domain. The results are evaluated for sweep excitation at different frequency ranges; for point-like receiver as well as extended transducers, and for in-plane as well as out-of-plane focusing. The observable nonlinear response at the surface is linked to an effective nonlinearity within the medium based on the defect geometry and the distribution of the local stresses.     

Evidential reasoning in large partially ordered sets

The Dempster-Shafer theory of belief functions has proved to be a powerful formalism for uncertain reasoning. However, belief functions on a finite frame of discernment Ω are usually defined in the power set 2^Ω, resulting in exponential complexity of the operations involved in this framework, such as combination rules. When Ω is linearly ordered, a usual trick is to work only with intervals, which drastically reduces the complexity of calculations. In this paper, we show that this trick can be extrapolated to frames endowed with an arbitrary lattice structure, not necessarily a linear order. This principle makes it possible to apply the Dempster-Shafer framework to very large frames such as the power set, the set of partitions, or the set of preorders of a finite set. Applications to multi-label classification, ensemble clustering and preference aggregation are demonstrated.