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.

Periodic architecture for high performance shock absorbing composites

A novel composite architecture consisting of a periodic arrangement of closely-spaced spheres of a stiff material embedded in a soft matrix is proposed for extremely high damping and shock absorption capacity. Efficacy of this architecture is demonstrated by compression loading a composite, where multiple steel balls were stacked upon each other in a polydimethylsiloxane (PDMS) matrix, at a low strain-rate of 0.05 s(-1) and a very high strain-rate of >2400 s(-1). The balls slide over each other upon loading, and revert to their original position when the load is removed. Because of imposition of additional strains into the matrix via this reversible, constrained movement of the balls, the composite absorbs significantly larger energy and endures much lesser permanent damage than the monolithic PDMS during both quasi-static and impact loadings. During the impact loading, energy absorbed per unit weight for the composite was, 8 times larger than the monolithic PDMS.

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.

Closed-form solutions for non-uniform Euler-Bernoulli free-free beams

In this paper, the free vibration of a non-uniform free-free Euler-Bernoulli beam is studied using an inverse problem approach. It is found that the fourth-order governing differential equation for such beams possess a fundamental closed-form solution for certain polynomial variations of the mass and stiffness. An infinite number of non-uniform free-free beams exist, with different mass and stiffness variations, but sharing the same fundamental frequency. A detailed study is conducted for linear, quadratic and cubic variations of mass, and on how to pre-select the internal nodes such that the closed-form solutions exist for the three cases. A special case is also considered where, at the internal nodes, external elastic constraints are present. The derived results are provided as benchmark solutions for the validation of non-uniform free-free beam numerical codes. (C) 2013 Elsevier Ltd. All rights reserved.

Parametrisation-free determination of the shape parameters for the pion electromagnetic form factor

Recent data from high-statistics experiments that have measured the modulus of the pion electromagnetic form factor from threshold to relatively high energies are used as input in a suitable mathematical framework of analytic continuation to find stringent constraints on the shape parameters of the form factor at t = 0. The method uses also as input a precise description of the phase of the form factor in the elastic region based on Fermi-Watson theorem and the analysis of the pi pi scattering amplitude with dispersive Roy equations, and some information on the spacelike region coming from recent high precision experiments. Our analysis confirms the inconsistencies of several data on the modulus, especially from low energies, with analyticity and the input phase, noted in our earlier work. Using the data on the modulus from energies above 0.65 GeV, we obtain, with no specific parametrisation, the prediction < r(pi)(2)> is an element of (0.42, 0.44) fm(2) for the charge radius. The same formalism leads also to very narrow allowed ranges for the higher-order shape parameters at t = 0, with a strong correlation among them.

e-SURAKSHAK: A Cyber-Physical Healthcare System with Service Oriented Architecture

In this paper we present the design of ``e-SURAKSHAK,'' a novel cyber-physical health care management system of Wireless Embedded Internet Devices (WEIDs) that sense vital health parameters. The system is capable of sensing body temperature, heart rate, oxygen saturation level and also allows noninvasive blood pressure (NIBP) measurement. End to end internet connectivity is provided by using 6LoWPAN based wireless network that uses the 802.15.4 radio. A service oriented architecture (SOA) 1] is implemented to extract meaningful information and present it in an easy-to-understand form to the end-user instead of raw data made available by sensors. A central electronic database and health care management software are developed. Vital health parameters are measured and stored periodically in the database. Further, support for real-time measurement of health parameters is provided through a web based GUI. The system has been implemented completely and demonstrated with multiple users and multiple WEIDs.

Communication: Benzene dimer-The free energy landscape

Establishing the relative orientation of the two benzene molecules in the dimer has remained an enigmatic challenge. Consensus has narrowed the choice of structures to either a T-shape, that may be tilted, or a parallel displaced arrangement, but the relatively small energy differences makes identifying the global minimum difficult. Here we report an ab initio Car-Parrinello Molecular Dynamics based metadynamics computation of the free-energy landscape of the benzene dimer. Our calculations show that although competing structures may be isoenergetic, free energy always favors a tilted T-shape geometry at all temperatures where the bound benzene dimer exist. (C) 2013 AIP Publishing LLC.

Cross-Hetero-Dehydrogenative Coupling Reaction of Phosphites: A Catalytic Metal-Free Phosphorylation of Amines and Alcohols

Phosphorylation of amines, alcohols, and sulfoximines are accomplished using molecular iodine as a catalyst and H2O2 as the sole oxidant under mild reaction conditions. This method provides an easy route for synthesizing a variety of phosphoramidates, phosphorus triesters and sulfoximine-derived phosphoramidates which are of biological importance.

Gibbs free energy of formation of rhodium sulfides

Using a solid-state electrochemical technique, thermodynamic properties of three sulfide phases (RhS0.882, Rh3S4, Rh2S3) in the binary system (Rh + S) are measured as a function of temperature over the range from (925 to 1275) K. Single crystal CaF2 is used as the electrolyte. The auxiliary electrode consisting of (CaS + CaF2) is designed in such a way that the sulfur chemical potential converts into an equivalent fluorine potential at each electrode. The sulfur potentials at the measuring electrodes are established by the mixtures of (Rh + RhS0.882), (RhS0.882 + Rh3S4) and (Rh3S4 + Rh2S3) respectively. A gas mixture (H-2 + H2S + Ar) of known composition fixes the sulfur potential at the reference electrode. A novel cell design with physical separation of rhodium sulfides in the measuring electrode from CaS in the auxiliary electrode is used to prevent interaction between the two sulfide phases. They equilibrate only via the gas phase in a hermetically sealed reference enclosure. Standard Gibbs energy changes for the following reactions are calculated from the electromotive force of three cells: 2.2667Rh (s) + S-2 (g) -> 2.2667RhS(0.882) (s), Delta(r)G degrees +/- 2330/(J . mol(-1)) = -288690 + 146.18 (T/K), 4.44RhS(0.882) (s) + S-2 (g) -> 1.48Rh(3)S(4) (s), Delta(r)G degrees +/- 2245/(J . mol(-1)) = -245596 + 164.31 (T/K), 4Rh(3)S(4) (s) + S-2 (g) -> 6Rh(2)S(3) (s), Delta(r)G degrees +/- 2490/(J . mol(-1)) = -230957 + 160: 03 (T/K). Standard entropy and enthalpy of formation of rhodium sulfides from elements in their normal standard states at T = 298.15 K are evaluated. (C) 2013 Elsevier Ltd. All rights reserved.

Long ranged structural modulation in the pre-morphotropic phase boundary cubic-like state of the lead-free piezoelectric Na1/2Bi1/2TiO3-BaTiO3

The nature of the pre-morphotropic phase boundary (MPB) cubic-like state in the lead-free piezoelectric ceramics (1-x)Na1/2Bi1/2TiO3-(x)BaTiO3 at x similar to 0.06 has been examined in detail by electric field and temperature dependent neutron diffraction, x-ray diffraction, dielectric and ferroelectric characterization. The superlattice reflections in the neutron diffraction patterns cannot be explained with the tetragonal P4bm and the rhombohedral (R3c) phase coexistence model. The cubic like state is rather a result of long ranged modulated complex octahedral tilt. This modulated structure exhibits anomalously large dielectric dispersion. The modulated structure transforms to a MPB state on poling. The field-stabilized MPB state is destroyed and the modulated structure is restored on heating the poled specimen above the Vogel-Fulcher freezing temperature. The results show the predominant role of competing octahedral tilts in determining the nature of structural and polar states in Na1/2Bi1/2TiO3-based ferroelectrics. (C) 2013 AIP Publishing LLC.