The physical properties of SnS films grown on lattice-matched and amorphous substrates

The development of high-quality tin monosulphide (SnS) layers is one of the crucial tasks in the fabrication of efficient SnS-based optoelectronic devices. Reduction of strain between film and the substrate by using an appropriate lattice-matched (LM) substrate is a new attempt for the growth of high-quality layers. In this view, the SnS films were deposited on LM Al substrate using the thermal evaporation technique with a low rate of evaporation. The as-grown SnS films were characterized using appropriate techniques and the obtained results are discussed by comparing them with the properties of SnS films grown on amorphous substrate under the same conditions. From structural analysis of the films, it is noticed that the SnS films deposited on amorphous substrate have crystallites that were oriented along different directions. However, the SnS crystallites grown on Al substrate exhibited epitaxial growth along the 101] direction. Photoluminescence (PL) and Raman studies reveal that the films grown on Al substrate have better optical properties than those of the films grown on amorphous substrates. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Adsorption-nucleation/growth based model for electrochemical phase formation and Avrami ansatz for a multicomponent competitive growth process

The existing models describing electrochemical phase formation involving both adsorption and a nucleation/growth process are modified. The limiting cases leading to the existing models are discussed. The characteristic features of the potentiostatic transients are presented. A generalization of the Avrami ansatz is given for two or more competitive irreversibly growing phases.

A Smooth Finite Element Method Based on Reproducing Kernel DMS-Splines

The element-based piecewise smooth functional approximation in the conventional finite element method (FEM) results in discontinuous first and higher order derivatives across element boundaries Despite the significant advantages of the FEM in modelling complicated geometries, a motivation in developing mesh-free methods has been the ease with which higher order globally smooth shape functions can be derived via the reproduction of polynomials There is thus a case for combining these advantages in a so-called hybrid scheme or a `smooth FEM' that, whilst retaining the popular mesh-based discretization, obtains shape functions with uniform C-p (p >= 1) continuity One such recent attempt, a NURBS based parametric bridging method (Shaw et al 2008b), uses polynomial reproducing, tensor-product non-uniform rational B-splines (NURBS) over a typical FE mesh and relies upon a (possibly piecewise) bijective geometric map between the physical domain and a rectangular (cuboidal) parametric domain The present work aims at a significant extension and improvement of this concept by replacing NURBS with DMS-splines (say, of degree n > 0) that are defined over triangles and provide Cn-1 continuity across the triangle edges This relieves the need for a geometric map that could precipitate ill-conditioning of the discretized equations Delaunay triangulation is used to discretize the physical domain and shape functions are constructed via the polynomial reproduction condition, which quite remarkably relieves the solution of its sensitive dependence on the selected knotsets Derivatives of shape functions are also constructed based on the principle of reproduction of derivatives of polynomials (Shaw and Roy 2008a) Within the present scheme, the triangles also serve as background integration cells in weak formulations thereby overcoming non-conformability issues Numerical examples involving the evaluation of derivatives of targeted functions up to the fourth order and applications of the method to a few boundary value problems of general interest in solid mechanics over (non-simply connected) bounded domains in 2D are presented towards the end of the paper

A new perovskite series based on lanthanum chromite [LaCr1−xMxO3−δ]

A new series of substituted perovskites of the type LaCr1−xMxO3−δ, where M=Cu or Mg have been synthesised by the citrate gel process and characterized by means of powder X-ray diffraction, infrared spectroscopy, selected area diffraction and also by electron paramagnetic resonance spectroscopy. The general powder morphology was also observed using scanning electron microscopy. 40 mole percent substitution of Cr3+ by Cu2+ or Mg2+ have shown to result in single phase perovskite structure. Beyond x=0.5, a new phase has been identified in a narrow compositional range. Effect of Cu and Mg substitution on the sinterability of pure LaCrO3 has also been studied. It is possible to get near theoretically dense materials at a temperature as low as 1200°C in air by copper substitution.

Low frequency oscillations in power systems: A physical account and adaptive stabilizers

This paper presents a physical explanation of the phenomenon of low frequency oscillations experienced in power systems. A brief account of the present practice of providing fixed gain power system stabilizers (PSS) is followed by a summary of some of the recent design proposals for adaptive PSS. A novel PSS based on the effort of cancelling the negative damping torque produced by the automatic voltage regulator (AVR) is presented along with some recent studies on a multimachine system using a frequency identification technique.

Membranes of Cationic Gemini Lipids based on Cholesterol with Hydroxyl Headgroups and their Interactions with DNA and Phospholipid

Two series of cholesterol-based cationic gemini lipids with and without hydroxyl functions at the headgroups possessing different lengths of polymethylene -(CH2)(n)-] (n = 3, 4, 5, 6, 12) spacer have been synthesized. Each gemini lipid formed stable suspension in water. The suspensions of these gemini lipids in water were investigated using transmission electron microscopy, dynamic light scattering, zeta potential measurements and X-ray diffraction to characterize the nature of the individual aggregates formed therein. The aggregation properties of these gemini lipids in water were found to strongly depend upon the length of the spacer and the presence of hydroxyl group at the headgroup region. Lipoplex formation (DNA binding) and the release of the DNA from such lipoplexes were performed to understand the nature of interactions that prevail between these cationic cholesterol aggregates and duplex DNA. The interactions between such gemini lipids and DNA depend both on the presence of OH on the headgroups and the spacer length between the headgroups. Finally, we studied the effect of incorporation of each cationic gemini lipid into dipalmitoyl phosphatidylcholine vesicles using differential scanning calorimetry. The properties of the resulting mixed membranes were found again to depend upon the nature of the headgroup and the spacer chain length.

Molecular Dynamics Investigation of Structure and Transport in the K2O-2SiO2 System Using a Partial Charge Based Model Potential

Potassium disilicate glass and melt have been investigated by using a new partial charge based potential model in which nonbridging oxygens are differentiated from bridging oxygens by their charges. The model reproduces the structural data pertaining to the coordination polyhedra around potassium and the various bond angle distributions excellently. The dynamics of the glass has been studied by using space and time correlation functions. It is found that K ions migrate by a diffusive mechanism in the melt and by hops below the glass transition temperature. They are also found to migrate largely through nonbridging oxygenrich sites in the silicate matrix, thus providing support to the predictions of the modified random network model.

Molecular dynamics Investigation of structure and transport in the K2O-2SiO2 system using a partial charge based model potential

Potassium disilicate glass and melt have been investigated by using anew partial charge based potential model in which nonbridging oxygens are differentiated from bridging oxygens by their charges. The model reproduces the structural data pertaining to the coordination polyhedra around potassium and the various bond angle distributions excellently. The dynamics of the glass has been studied by using space and time correlation functions. It is found that K ions migrate by a diffusive mechanism in the melt and by hops below the glass transition temperature. They are also found to migrate largely through nonbridging oxygen-rich sites in the silicate matrix, thus providing support to the predictions of the modified random network model.

Self-assembled molecular squares containing metal-based donor: synthesis and application in the sensing of nitro-aromatics

Self-assemblies between a linear Pt-based donor and ferrocene- chelated metallic acceptors produced novel heterometallic squares 4 and 5, which show fluorescence quenching upon the addition of nitro-aromatics.

Vinyl Monomer Based Polyperoxides as Potential Initiators for Radical Polymerization: An Exploratory Investigation with Poly(.alpha.-methylstyrene peroxide)

We describe the use of poly(alpha-methylstyrene peroxide) (P alpha MSP), an alternating copolymer of alpha-methylstyrene and oxygen, as initiator for the radical polymerization of vinyl monomers. Thermal decomposition of P alpha MSP in 1,4-dioxane follows first-order kinetics with an activation energy (E(a)) of 34.6 kcal/mol. Polymerization of methyl methacrylate (MMA) and styrene using P alpha MSP as an initiator was carried out in the temperature range 60-90 degrees C. The kinetic order with respect to the initiator and the monomer was close to 0.5 and 1.0, respectively, for both monomers. The E(a) for the polymerization was 20.6 and 22.9 kcal/mol for MMA and styrene, respectively. The efficiency of P alpha MSP was found to be in the range 0.02-0.04. The low efficiency of P alpha MSP was explained in terms of the unimolecular decomposition of the alkoxy radicals which competes with primary radical initiation. The presence of peroxy segments in the main chain of PMMA and polystyrene was confirmed from spectroscopic and DSC studies. R(i)'/2I values for P alpha MSP compared to that of BPO at 80 degrees C indicate that P alpha MSP can be used as an effective high-temperature initiator.

Origin of magnetism and trend in T-c in Cr-based double perovskites: Interplay of two driving mechanisms

Hamiltonian constructed in a first principles manner, we explored the origin of magnetism and the T-c trend in Cr-based double perovskite series, Sr2CrB'O-6 (B' = W/Re/Os). Our study shows that the apparently puzzling T-c trend in Sr2CrB'O-6 (B' = W/Re/Os) series can be understood in terms of the interplay of the hybridization driven mechanism and the superexchange mechanism.

A characteristic based numerical method with tracking for nonlinear wave equations

Many physical problems can be modeled by scalar, first-order, nonlinear, hyperbolic, partial differential equations (PDEs). The solutions to these PDEs often contain shock and rarefaction waves, where the solution becomes discontinuous or has a discontinuous derivative. One can encounter difficulties using traditional finite difference methods to solve these equations. In this paper, we introduce a numerical method for solving first-order scalar wave equations. The method involves solving ordinary differential equations (ODEs) to advance the solution along the characteristics and to propagate the characteristics in time. Shocks are created when characteristics cross, and the shocks are then propagated by applying analytical jump conditions. New characteristics are inserted in spreading rarefaction fans. New characteristics are also inserted when values on adjacent characteristics lie on opposite sides of an inflection point of a nonconvex flux function, Solutions along characteristics are propagated using a standard fourth-order Runge-Kutta ODE solver. Shocks waves are kept perfectly sharp. In addition, shock locations and velocities are determined without analyzing smeared profiles or taking numerical derivatives. In order to test the numerical method, we study analytically a particular class of nonlinear hyperbolic PDEs, deriving closed form solutions for certain special initial data. We also find bounded, smooth, self-similar solutions using group theoretic methods. The numerical method is validated against these analytical results. In addition, we compare the errors in our method with those using the Lax-Wendroff method for both convex and nonconvex flux functions. Finally, we apply the method to solve a PDE with a convex flux function describing the development of a thin liquid film on a horizontally rotating disk and a PDE with a nonconvex flux function, arising in a problem concerning flow in an underground reservoir.

Effect of TiO2 electrode thickness on photovoltaic properties of dye sensitized solar cell based on randomly oriented Titania nanotubes

Anatase titania nanotubes (TNTs) have been synthesized from P25 TiO2 powder by alkali hydrothermal method followed by post annealing. The microstructure analysis by X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM) revealed the formation of anatase nanotubes with a diameter of 9-10 nm. These NTs are used to make photo anode in dye-sensitized solar cells (DSSCs). Layer by layer deposition with curing of each layer at 350 C is employed to realize films of desired thickness. The performance of these cells is studied using photovoltaic measurements. Electrochemical impedance spectroscopy (EIS) is used to quantitatively analyze the effect of thickness on the performance of these cells. These studies revealed that the thickness of TiO2 has a pronounced impact on the cell performance and the optimum thickness lies in the range of 10-14 mu m. In comparison to dye solar cells made of P25, TNTs based cells exhibit an improved open circuit voltage and fill factor (FF) due to an increased electron lifetime, as revealed by EIS analysis. (C) 2011 Elsevier B.V. All rights reserved.