Design of solid electrolytes for use with dissimilar gas electrodes

The design of a solid electrolyte that permits the use of dissimilar gas electrodes in an electrochemical cell is presented. It consists of a functionally gradient material with spatial variation in composition. The activity of the conducting ion is fixed at each electrode using different gas species. The system chosen for demonstrating the concept consists of a solid solution between K2CO3 and K2SO4. The composition of the solid solution varies from pure K2CO3 in contact with a CO2 + O2 gas mixture at one electrode to pure K2SO4 exposed to a mixture of SO3 + SO2 + O2 at the other. Two types of composition profiles are studied, one with monotonic variation in composition and the other with extrema. The e.m.f. of the cells is studied as a function of temperature and composition of the gas mixture at each electrode. The results indicate that the e.m.f. is determined primarily by the difference in the chemical potential of potassium at the two electrodes. The diffusion potential caused by ionic concentration gradients in the electrolyte appears to be negligible when the corresponding ionic transport numbers are insignificant. Studies on the response characteristics of the cell based on the gradient electrolyte indicate that the nature of the variation in composition of the electrolyte has only a minor effect on the time evolution of e.m.f. The gradient solid electrolytes have potential application in multielement galvanic sensors at high temperatures.

Seebeck Coefficient in Bulk and Quantum Wells of Non-Parabolic Kane-Type Materials

We present a simplified and quantitative analysis of the Seebeck coefficient in degenerate bulk and quantum well materials whose conduction band electrons obey Kane's non-parabolic energy dispersion relation. We use k.p formalism to include the effect of the overlap function due to the band non-parabolicity in the Seebeck coefficient. We also address the key issues and the conditions in which the Seebeck coefficient in quantum wells should exhibit oscillatory dependency with the film thickness under the acoustic phonon and ionized impurity scattering. The effect of screening length in degenerate bulk and quantum wells has also been generalized for the determination of ionization scattering. The well-known expressions of the Seebeck coefficient in non-degenerate wide band gap materials for both bulk and quantum wells has been obtained as a special case and this provides an indirect proof of our generalized theoretical analysis.

Swing amplification of nonaxisymmetric perturbations in stars and gas in a sheared galactic disk

We present a study of the growth of local, nonaxisymmetric perturbations in gravitationally coupled stars and gas in a differentially rotating galactic disk. The stars and gas are treated as two isothermal fluids of different velocity dispersions, with the stellar velocity dispersion being greater than that for the gas. We examine the physical effects of inclusion of a low-velocity dispersion component (gas) on the growth of non-axisymmetric perturbations in both stars and gas, as done for the axisymmetric case by Jog & Solomon. The amplified perturbations in stars and gas constitute trailing, material, spiral features which may be identified with the local spiral features seen in all spiral galaxies. The formulation of the two-fluid equations closely follows the one-fluid treatment by Goldreich & Lynden-Bell. The local, linearized perturbation equations in the sheared frame are solved to obtain the results for a temporary growth via swing amplification. The problem is formulated in terms of five dimensionless parameters-namely, the Q-factors for stars and gas, respectively; the gas mass fraction; the shearing rate in the galactic disk; and the length scale of perturbation. By using the observed values of these parameters, we obtain the amplifications and the pitch angles for features in stars and gas for dynamically distinct cases, as applicable for different regions of spiral galaxies. A real galaxy consisting of stars and gas may display growth of nonaxisymmetric perturbations even when it is stable against axisymmetric perturbations and/or when either fluid by itself is stable against non-axisymmetric perturbations. Due to its lower velocity dispersion, the gas exhibits a higher amplification than do the stars, and the amplified gas features are slightly more tightly wound than the stellar features. When the gas contribution is high, the stellar amplification and the range of pitch angles over which it can occur are both increased, due to the gravitational coupling between the two fluids. Thus, the two-fluid scheme can explain the origin of the broad spiral arms in the underlying old stellar populations of galaxies, as observed by Schweizer and Elmegreen & Elmegreen. The arms are predicted to be broader in gas-rich galaxies, as is indeed seen for example in M33. In the linear regime studied here, the arm contrast is shown to increase with radius in the inner Galaxy, in agreement with observations of external galaxies by Schweizer. These results follow directly due to the inclusion of gas in the problem.

Triple resonance, triple-quantum NMR studies of dipolar coupled spin systems

Multiple quantum-single quantum correlation experiments are employed for spectral simplification and determination of the relative signs of the couplings. In this study, we have demonstrated the excitation of three nuclei, triple quantum coherences and discussed the information obtainable from such experiments. The experiments have been carried out on doubly labeled acetonitrile and fluoroacetonitrile aligned in liquid crystalline media. The experiment is advantageous in providing many spectral parameters from a single experiment. The coherence pathways involved in the pulse sequence are described using product operators. (C) 2011 Elsevier Inc. All rights reserved.

Three- and Seven-Point Optimally Weighted Recursive Median Filters for Gas Turbine Diagnostics

Measured health signals incorporate significant details about any malfunction in a gas turbine. The attenuation of noise and removal of outliers from these health signals while preserving important features is an important problem in gas turbine diagnostics. The measured health signals are a time series of sensor measurements such as the low rotor speed, high rotor speed, fuel flow, and exhaust gas temperature in a gas turbine. In this article, a comparative study is done by varying the window length of acausal and unsymmetrical weighted recursive median filters and numerical results for error minimization are obtained. It is found that optimal filters exist, which can be used for engines where data are available slowly (three-point filter) and rapidly (seven-point filter). These smoothing filters are proposed as preprocessors of measurement delta signals before subjecting them to fault detection and isolation algorithms.

Reflectivity and photoluminescence spectra of GaAs quantum wells in a magnetic field

We present photoluminescence and reflectance spectra of GaAs/Al-x Ga-1-x As quantum wells in a magnetic field for the Faraday geometry. The photoluminescence peaks recorded are among the most intense and narrow reported to date. This has allowed us to study the behavior of closely spaced bound exciton lines under a magnetic field. Several new features including magnetic field induced splitting of the bound exciton emission peaks are reported.

Gas-phase controlled mass transfer in a foam-bed reactor

Gas-phase controlled absorption of ammonia in foams made of solutions of sulphuric acid has been studied experimentally. Effects of gas-phase concentration of ammonia and type of surfactant on the performance of the foam-bed reactor are investigated. Gas-phase controlled absorption from a spherical bubble is anaylzed using the asymptotic value of Sherwood number (Sh = 6.58), for both negligible as well as significant changes in the volume of the bubble. The experimental data are shown to be in good agreement with the single-stage model of the foam-bed reactor using these asymptotic sub-models, as well as the diffusion-in-sphere analysis available in literature. Influence of effective diffusivity on the time dependence of fractional gas absorption has been found to be unimportant for foam columns with large times of contact. The asymptotic sub-models have been compared and use of the rigid-sphere asymptotic sub-model is recommended for foam columns of practical relevence.

Quantum Dots and Nanoroads of Graphene Embedded in Hexagonal Boron Nitride

The quest for novel two-dimensional materials has led to the discovery of hybrids where graphene and hexagonal boron nitride (h-BN) occur as phase-separated domains. Using first-principles calculations, we study the energetics and electronic and magnetic properties of such hybrids in detail. The formation energy of quantum dot inclusions (consisting of n carbon atoms) varies as 1/root n, owing to the interface. The electronic gap between the occupied and unoccupied energy levels of quantum dots is also inversely proportional to the length scale, 1/root n-a feature of confined Dirac fermions. For zigzag nanoroads, a combination of the intrinsic electric field caused by the polarity of the h-BN matrix and spin polarization at the edges results in half-metallicity; a band gap opens up under the externally applied ``compensating'' electric field. For armchair nanoroads, the electron confinement opens the gap, different among three subfamilies due to different bond length relaxations at the interfaces, and decreasing with the width.

Long-Range Visible Fluorescence Tunability Using Component-Modulated Coupled Quantum Dots

A simple route for tailoring emissions in the visible wavelength region by chemically coupling quantum dots composed of ZnSe and CdS is reported. coupled quantum dots offer a novel route for tuning electronic transitions via band-offset engineering at the material interface. This novel class of asymmetric. coupled quantum structures may offer a basis for a diverse set of building blocks for optoelectronic devices, ultrahigh density memories, and quantum information processing.

Nonaxisymmetric convection in stationary Gas Tungsten Arc Weld Pools

Observations of surface flow patterns of steel and aluminum GTAW pools have been made using a pulsed laser visualization system. The weld pool convection is found to be three-dimensional with the azimuthal circulation depending on the location of the clamp with respect to the torch. Oscillation of steel pools and undulating motion in aluminum weld pools are also observed even with steady process parameters. Current axisymmetric numerical models are unable to explain such phenomena. A three-dimensional computational study is carried out in this study to explain the rotational flow in aluminum weld pools.

Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains

The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard-Peierls model (with parameters U/t, V/t, and bond alternation delta) to study the ordering of the lowest one-photon (1(1)B(u)(-)) and two-photon (2(1)A(g)(+)) states in one-dimensional conjugated systems with chain lengths N up to N = 80 sites. Three different types of crossovers are studied, as a function of U/t, delta, and N. The ''U crossover'' emphasizes the larger ionic character of the 2A(g) state compared to the lowest triplet excitation. The ''delta crossover'' shows strong dependence on both N and U/t. the ''N crossover'' illustrates the more localized nature of the 2A(g) excitation relative to the 1B(u) excitation at intermediate correlation strengths.

Magnetization properties of some quantum spin ladders

The experimental realization of various spin ladder systems has prompted their detailed theoretical investigations. Hen we study the evolution of ground-state magnetization with an external magnetic field for two different antiferromagnetic systems: a three-legged spin-1/2 ladder, and a two-legged spin-1/2 ladder with an additional diagonal interaction. The finite system density-matrix renormalization-group method is employed for numerical studies of the three-chain system, and an effective low-energy Hamiltonian is used in the limit of strong interchain coupling to study the two- and three-chain systems. The three-chain system has a magnetization plateau at one-third of the saturation magnetization. The two-chain system has a plateau at zero magnetization due to a gap above the singlet ground state. It also has a plateau at half of the saturation magnetization for a certain range of values of the couplings. We study the regions of transitions between plateaus numerically and analytically, and find that they are described, at first order in a strong-coupling expansion, by an XXZ spin-1/2 chain in a magnetic field; the second-order terms give corrections to the XXZ model, We also study numerically some low-temperature properties of the three-chain system, such as the magnetization, magnetic susceptibility and specific heat. [S0163-1829(99)303001-5].

Quantum clustering and network analysis of MD simulation trajectories to probe the conformational ensembles of protein-ligand interactions

In this article, we present a novel application of a quantum clustering (QC) technique to objectively cluster the conformations, sampled by molecular dynamics simulations performed on different ligand bound structures of the protein. We further portray each conformational population in terms of dynamically stable network parameters which beautifully capture the ligand induced variations in the ensemble in atomistic detail. The conformational populations thus identified by the QC method and verified by network parameters are evaluated for different ligand bound states of the protein pyrrolysyl-tRNA synthetase (DhPylRS) from D. hafniense. The ligand/environment induced re-distribution of protein conformational ensembles forms the basis for understanding several important biological phenomena such as allostery and enzyme catalysis. The atomistic level characterization of each population in the conformational ensemble in terms of the re-orchestrated networks of amino acids is a challenging problem, especially when the changes are minimal at the backbone level. Here we demonstrate that the QC method is sensitive to such subtle changes and is able to cluster MD snapshots which are similar at the side-chain interaction level. Although we have applied these methods on simulation trajectories of a modest time scale (20 ns each), we emphasize that our methodology provides a general approach towards an objective clustering of large-scale MD simulation data and may be applied to probe multistate equilibria at higher time scales, and to problems related to protein folding for any protein or protein-protein/RNA/DNA complex of interest with a known structure.

Temperature scaling in a dense vibrofluidized granular material

The leading order "temperature" of a dense two-dimensional granular material fluidized by external vibrations is determined. The grain interactions are characterized by inelastic collisions, but the coefficient of restitution is considered to be close to 1, so that the dissipation of energy during a collision is small compared to the average energy of a particle. An asymptotic solution is obtained where the particles are considered to be elastic in the leading approximation. The velocity distribution is a Maxwell-Boltzmann distribution in the leading approximation,. The density profile is determined by solving the momentum balance equation in the vertical direction, where the relation between the pressure and density is provided by the virial equation of state. The temperature is determined by relating the source of energy due to the vibrating surface and the energy dissipation due to inelastic collisions. The predictions of the present analysis show good agreement with simulation results at higher densities where theories for a dilute vibrated granular material, with the pressure-density relation provided by the ideal gas law, sire in error. [:S1063-651X(99)04408-6].