Thermal Rearrangement of Azido Ketones into Oxazoles via Azirines: One-Pot, Metal-Free Heteroannulation to Functionalized 1,3-Oxazoles

alpha-Azidoacetophenones were converted into 2-aryl-1,3-oxazole-4-carbaldehydes through rearrangement of the carbon framework upon exposure to DMF/POCl3. The unprecedented rearrangement occurs via alkenyl azides and 2H-azirines. A mechanism for this unusual reaction was proposed and evidenced.

Simulation of Deformation Texture Evolution During Multi Axial Forging of Interstitial Free Steel

Bulk texture measurement of multi-axial forged body center cubic interstitial free steel performed in this study using x-ray and neutron diffraction indicated the presence of a strong {101}aOE (c) 111 > single texture component. Viscoplastic self-consistent simulations could successfully predict the formation of this texture component by incorporating the complicated strain path followed during this process and assuming the activity of {101}aOE (c) 111 > slip system. In addition, a first-order estimate of mechanical properties in terms of highly anisotropic yield locus and Lankford parameter was also obtained from the simulations.

Clusters of bound particles in the derivative delta-function Bose gas

In this paper we discuss a novel procedure for constructing clusters of bound particles in the case of a quantum integrable derivative delta-function Bose gas in one dimension. It is shown that clusters of bound particles can be constructed for this Bose gas for some special values of the coupling constant, by taking the quasi-momenta associated with the corresponding Bethe state to be equidistant points on a single circle in the complex momentum plane. We also establish a connection between these special values of the coupling constant and some fractions belonging to the Farey sequences in number theory. This connection leads to a classification of the clusters of bound particles associated with the derivative delta-function Bose gas and allows us to study various properties of these clusters like their size and their stability under the variation of the coupling constant. (C) 2013 Elsevier B.V. All rights reserved.

Optimization of thermoacoustic refrigerator using response surface methodology

Thermoacoustic refrigerator (TAR) converts acoustic waves into heat without any moving parts. The study presented here aims to optimize the parameters like frequency, stack position, stack length, and plate spacing involving in designing TAR using the Response Surface Methodology (RSM). A mathematical model is developed using the RSM based on the results obtained from DeltaEC software. For desired temperature difference of 40 K, optimized parameters suggested by the RSM are the frequency 254 Hz, stack position 0.108 m, stack length 0.08 m, and plate spacing 0.0005 m. The experiments were conducted with optimized parameters and simulations were performed using the Design Environment for Low-amplitude ThermoAcoustic Energy Conversion (DeltaEC) which showed similar results.

Sex and physiological state influence the rate of resource acquisition and monopolisation in urban free-ranging dogs, Canis familiaris

In animal populations, the constraints of energy and time can cause intraspecific variation in foraging behaviour. The proximate developmental mediators of such variation are often the mechanisms underlying perception and associative learning. Here, experience-dependent changes in foraging behaviour and their consequences were investigated in an urban population of free-ranging dogs, Canis familiaris by continually challenging them with the task of food extraction from specially crafted packets. Typically, males and pregnant/lactating (PL) females extracted food using the sophisticated `gap widening' technique, whereas non-pregnant/non-lactating (NPNL) females, the relatively underdeveloped `rip opening' technique. In contrast to most males and PL females (and a few NPNL females) that repeatedly used the gap widening technique and improved their performance in food extraction with experience, most NPNL females (and a few males and PL females) non-preferentially used the two extraction techniques and did not improve over successive trials. Furthermore, the ability of dogs to sophisticatedly extract food was positively related to their ability to improve their performance with experience. Collectively, these findings demonstrate that factors such as sex and physiological state can cause differences among individuals in the likelihood of learning new information and hence, in the rate of resource acquisition and monopolization.

Model-free simulations for compressible mixing layer

Confined supersonic mixing layer is explored through model-free simulations. Both two- and three-dimensional spatio-temporal simulations were carried out employing higher order finite difference scheme as well as finite volume scheme based on open source software (OpenFOAM) to understand the effect of three-dimensionality on the development of mixing layer. It is observed that although the instantaneous structures exhibit three-dimensional features, the average pressure and velocities are predominantly two-dimensional. The computed wall pressures match well with experimental results fairly well, although three-dimensional simulation underpredicts the wall pressure in the downstream direction. The self-similarity of the velocity profiles is obtained within the duct length for all the simulations. Although the mixing layer thicknesses differ among different simulations, their growth rate is nearly the same. Significant differences are observed for species and temperature distribution between two- and three-dimensional calculations, and two-dimensional calculations do not match the experimental observation of smooth variations in species mass fraction profiles as reported in literature. Reynolds stress distribution for three-dimensional calculations show profiles with less peak values compared to two-dimensional calculations; while normal stress anisotropy is higher for three-dimensional case.

Surfactant free, non-aqueous method, for the deposition of ZnO nanoparticle thin films on Si(100) substrate with tunable ultraviolet (UV) emission

We report, strong ultraviolet (UV) emission from ZnO nanoparticle thin film obtained by a green synthesis, where the film is formed by the microwave irradiation of the alcohol solution of the precursor. The deposition is carried out in non-aqueous medium without the use of any surfactant, and the film formation is quick (5 min). The film is uniform comprising of mono-disperse nanoparticles having a narrow size distribution (15-22 nm), and that cover over an entire area (625 mm(2)) of the substrate. The growth rate is comparatively high (30-70 nm/min). It is possible to tune the morphology of the films and the UV emission by varying the process parameters. The growth mechanism is discussed precisely and schematic of the growth process is provided.

Free energy barriers for homogeneous crystal nucleation in a eutectic system of binary hard spheres

In this study, the free energy barriers for homogeneous crystal nucleation in a system that exhibits a eutectic point are computed using Monte Carlo simulations. The system studied is a binary hard sphere mixture with a diameter ratio of 0.85 between the smaller and larger hard spheres. The simulations of crystal nucleation are performed for the entire range of fluid compositions. The free energy barrier is found to be the highest near the eutectic point and is nearly five times that for the pure fluid, which slows down the nucleation rate by a factor of 10(-31). These free energy barriers are some of highest ever computed using simulations. For most of the conditions studied, the composition of the critical nucleus corresponds to either one of the two thermodynamically stable solid phases. However, near the eutectic point, the nucleation barrier is lowest for the formation of the metastable random hexagonal closed packed (rhcp) solid phase with composition lying in the two-phase region of the phase diagram. The fluid to solid phase transition is hypothesized to proceed via formation of a metastable rhcp phase followed by a phase separation into respective stable fcc solid phases.

Feature weighting for clustering by particle swarm optimization

Clustering has been the most popular method for data exploration. Clustering is partitioning the data set into sub-partitions based on some measures say the distance measure, each partition has its own significant information. There are a number of algorithms explored for this purpose, one such algorithm is the Particle Swarm Optimization(PSO) which is a population based heuristic search technique derived from swarm intelligence. In this paper we present an improved version of the Particle Swarm Optimization where, each feature of the data set is given significance accordingly by adding some random weights, which also minimizes the distortions in the dataset if any. The performance of the above proposed algorithm is evaluated using some benchmark datasets from Machine Learning Repository. The experimental results shows that our proposed methodology performs significantly better than the previously performed experiments.

Multiobjective discrete particle swarm optimization for multisensor image alignment

A new technique is proposed for multisensor image registration by matching the features using discrete particle swarm optimization (DPSO). The feature points are first extracted from the reference and sensed image using improved Harris corner detector available in the literature. From the extracted corner points, DPSO finds the three corresponding points in the sensed and reference images using multiobjective optimization of distance and angle conditions through objective switching technique. By this, the global best matched points are obtained which are used to evaluate the affine transformation for the sensed image. The performance of the image registration is evaluated and concluded that the proposed approach is efficient.

Topology optimization-based design of a compliant aircraft compliant aircraft wing for morphing leading and trailing edges

In this paper, we present a methodology for designing a compliant aircraft wing, which can morph from a given airfoil shape to another given shape under the actuation of internal forces and can offer sufficient stiffness in both configurations under the respective aerodynamic loads. The least square error in displacements, Fourier descriptors, geometric moments, and moment invariants are studied to compare candidate shapes and to pose the optimization problem. Their relative merits and demerits are discussed in this paper. The `frame finite element ground structure' approach is used for topology optimization and the resulting solutions are converted to continuum solutions. The introduction of a notch-like feature is the key to the success of the design. It not only gives a good match for the target morphed shape for the leading and trailing edges but also minimizes the extension of the flexible skin that is to be put on the airfoil frame. Even though linear small-displacement elastic analysis is used in optimization, the obtained designs are analysed for large displacement behavior. The methodology developed here is not restricted to aircraft wings; it can be used to solve any shape-morphing requirement in flexible structures and compliant mechanisms.

Lead-free piezoelectric system (Na0.5Bi0.5)TiO3-BaTiO3: Equilibrium structures and irreversible structural transformations driven by electric field and mechanical impact

The structure-property correlation in the lead-free piezoelectric (1 - x)(Na0.5Bi0.5)TiO3-(x)BaTiO3 has been systematically investigated in detail as a function of composition (0 < x <= 0.11), temperature, electric field, and mechanical impact by Raman scattering, ferroelectric, piezoelectric measurement, x-ray, and neutron powder diffraction methods. Although x-ray diffraction study revealed three distinct composition ranges characterizing different structural features in the equilibrium state at room temperature: (i) monoclinic (Cc) + rhombohedral (R3c) for the precritical compositions, 0 <= x <= 0.05, (ii) cubiclike for 0.06 <= x <= 0.0675, and (iii) morphotropic phase boundary (MPB) like for 0.07 <= x < 0.10, Raman and neutron powder diffraction studies revealed identical symmetry for the cubiclike and the MPB compositions. The cubiclike structure undergoes irreversible phase separation by electric poling as well as by pure mechanical impact. This cubiclike phase exhibits relaxor ferroelectricity in its equilibrium state. The short coherence length (similar to 50A degrees) of the out-of-phase octahedral tilts does not allow the normal ferroelectric state to develop below the dipolar freezing temperature, forcing the system to remain in a dipolar glass state at room temperature. Electric poling helps the dipolar glass state to transform to a normal ferroelectric state with a concomitant enhancement in the correlation length of the out-of-phase octahedral tilt.

Polymorphic phase boundaries and enhanced piezoelectric response in extended composition range in the lead free ferroelectric BaTi1-xZrxO3

Neutron powder diffraction study of Ba(Ti1-xZrx)O-3 at close composition intervals has revealed coexistence of ferroelectric phases: orthorhombic (Amm2) + tetragonal (P4mm) for 0.02 <= x <= 0.05 and rhombohedral (R3m) + orthorhombic (Amm2) for 0.07 <= x < 0.09. These compositions exhibit relatively enhanced piezoelectric properties as compared to their single phase counterparts outside this composition region, confirming the polymorphic phase boundary nature of the phase coexistence regions. (C) 2013 AIP Publishing LLC.

Efficient gradient-free simplex method for estimation of optical properties in image-guided diffuse optical tomography

Typical image-guided diffuse optical tomographic image reconstruction procedures involve reduction of the number of optical parameters to be reconstructed equal to the number of distinct regions identified in the structural information provided by the traditional imaging modality. This makes the image reconstruction problem less ill-posed compared to traditional underdetermined cases. Still, the methods that are deployed in this case are same as those used for traditional diffuse optical image reconstruction, which involves a regularization term as well as computation of the Jacobian. A gradient-free Nelder-Mead simplex method is proposed here to perform the image reconstruction procedure and is shown to provide solutions that closely match ones obtained using established methods, even in highly noisy data. The proposed method also has the distinct advantage of being more efficient owing to being regularization free, involving only repeated forward calculations. (C) 2013 Society of Photo-Optical Instrumentation Engineers (SPIE)

Rotating beams and non-rotating beams with shared eigenpair for pinned-free boundary condition

In this paper we look for a rotating beam, with pinned-free boundary conditions, whose eigenpair (frequency and mode-shape) is same as that of a uniform non-rotating beam for a particular mode. It is seen that for any given mode, there exists a flexural stiffness function (FSF) for which the ith mode eigenpair of a rotating beam with uniform mass distribution, is identical to that of a corresponding non-rotating beam with same length and mass distribution. Inserting these derived FSF's in a finite element code for a rotating pinned-free beam, the frequencies and mode shapes of a non-rotating pinned-free beam are obtained. For the first mode, a physically realistic equivalent rotating beam is possible, but for higher modes, the FSF has internal singularities. Strategies for addressing these singularities in the FSF for finite element analysis are provided. The proposed functions can be used as test functions for rotating beam codes and also for targeted destiffening of rotating beams.