Optical, Electrochemical, and Structural Properties of Spray Coated Dihexyl Substituted Poly (3,4 propylene dioxythiophene) Film for Optoelectronics Devices

The dihexyl substituted poly (3,4-propylenedioxythiophene) (PProDOT-Hx(2)) thin films uniformly deposited by cost effective spray coating technique on transparent conducting oxide coated substrates. The electro-optical properties of PProDOT-Hx(2) films were studied by UV-Vis spectroscopy that shows the color contrast about 45% with coloration efficiency of approximate to 185cm(2)/C. The electrochemical properties of PProDOT-Hx(2) films were studied by cyclic voltammetry and AC impedance techniques. The cyclic voltammogram shows that redox reaction of films are diffusion controlled and ions transportation will be faster on the polymer film at higher scan rate. Impedance spectra indicate that polymer films are showing interface charge transfer process as well as capacitive behavior between the electrode and electrolyte. The XRD of the PProDOT-Hx(2) thin films revealed that the films are in amorphous nature, which accelerates the transportation of ions during redox process.

Failure modes and fatigue behavior of conventional and refilled friction stir spot welds in AA 6061-T6 sheets

The fatigue behavior of conventional friction stir spot welding (FSSW) and friction stir spot welding refilled by the friction forming process (FSSW-FFP) in aluminum 6061-T6 lap shear specimens, are investigated based on the experimental observations. Optical micrographs of the welds after fatigue failure in both the cases are examined to study the fatigue crack propagation and failure modes. Experimental results indicate that the fatigue strength of the FSSW-FFP weld samples is higher than that of the conventional FSSW samples at all loads. Fracture surfaces are analyzed in detail using the scanning electron microscope. (C) 2013 Elsevier Ltd. All rights reserved.

Doping a Correlated Band Insulator: A New Route to Half-Metallic Behavior

We demonstrate in a simple model the surprising result that turning on an on-site Coulomb interaction U in a doped band insulator leads to the formation of a half-metallic state. In the undoped system, we show that increasing U leads to a first order transition at a finite value U-AF between a paramagnetic band insulator and an antiferomagnetic Mott insulator. Upon doping, the system exhibits half-metallic ferrimagnetism over a wide range of doping and interaction strengths on either side of U-AF. Our results, based on dynamical mean field theory, suggest a new route to half metallicity, and will hopefully motivate searches for new materials for spintronics.

Tuning of the electro-mechanical behavior of the cellular carbon nanotube structures with nanoparticle dispersions

The mechanical and electrical characteristics of cellular network of the carbon nanotubes (CNT) impregnated with metallic and nonmetallic nanoparticles were examined simultaneously by employing the nanoindentation technique. Experimental results show that the nanoparticle dispersion not only enhances the mechanical strength of the cellular CNT by two orders of magnitude but also imparts variable nonlinear electrical characteristics; the latter depends on the contact resistance between nanoparticles and CNT, which is shown to depend on the applied load while indentation. Impregnation with silver nanoparticles enhances the electrical conductance, the dispersion with copper oxide and zinc oxide nanoparticles reduces the conductance of CNT network. In all cases, a power law behavior with suppression in the differential conductivity at zero bias was noted, indicating electron tunneling through the channels formed at the CNT-nanoparticle interfaces. These results open avenues for designing cellular CNT foams with desired electro-mechanical properties and coupling. (C) 2014 AIP Publishing LLC.

Structural basis for the redox sensitivity of the Mycobacterium tuberculosis SigK-RskA sigma-anti-sigma complex

The host-pathogen interactions in Mycobacterium tuberculosis infection are significantly influenced by redox stimuli and alterations in the levels of secreted antigens. The extracyto-plasmic function (ECF) sigma factor sigma(K) governs the transcription of the serodominant antigens MPT70 and MPT83. The cellular levels of sigma(K) are regulated by the membrane-associated anti-sigma(K) (RskA) that localizes sigma(K) in an inactive complex. The crystal structure of M. tuberculosis sigma(K) in complex with the cytosolic domain of RskA (RskAcyto) revealed a disulfide bridge in the -35 promoter-interaction region of sigma(K). Biochemical experiments reveal that the redox potential of the disulfide-forming cysteines in sigma(K) is consistent with its role as a sensor. The disulfide bond in sigma(K) influences the stability of the sigma(K)-RskA(cyto) complex but does not interfere with sigma(K)-promoter DNA interactions. It is noted that these disulfide-forming cysteines are conserved across homologues, suggesting that this could be a general mechanism for redox-sensitive transcription regulation.

Monotonic and low cycle fatigue behavior of an O+B2 alloy at high temperatures

Low cycle fatigue behavior of an O+B2 alloy was evaluated at 650 degrees C in ambient atmosphere under fully reversed total axial strain controlled mode. Three different microstructures, namely equiaxed O plus aged B2 (fine O plates in B2 matrix), lenticular O laths plus aged B2 and a pancake composite microstructure comprising equiaxed alpha 2, lenticular O and aged B2, were selected to study the effect of microstructure on low cycle fatigue behavior in this class of alloys. Distinct well-defined trends were observed in the cyclic stress-strain response curves depending on the microstructure. The cyclic stress response was examined in terms of softening or hardening and correlated with microstructural features and dislocation behavior. Fatigue life was analyzed in terms of standard Coffin-Manson and Basquin plots and for all microstructures a prevailing elastic strain regime was identified, with a single slope for microstructures equiaxed and composite and a double slope for lenticular O laths. (c) 2014 Elsevier B.V. All rights reserved.

Effect of fluid medium on mechanical behavior of carbon nanotube foam

This study reports the constitutive response and energy absorption capabilities of fluid-impregnated carbon nanotube (CNT) foams under compressive loading as a function of fluid viscosity and loading rates. At all strain rates tested, we observe two characteristic regimes: below a critical value, increasing fluid viscosity increases the load bearing and energy absorption capacities; after a critical value of the fluid's viscosity, we observe a rapid decrease in the systems' mechanical performance. For a given fluid viscosity, the load bearing capacity of the structure slightly decreases with strain rate. A phenomenological model, accounting for fluid-CNT interaction, is developed to explain the observed mechanical behavior. (C) 2014 AIP Publishing LLC.

New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl) benzonitriles: synthesis, liquid crystalline behavior and photo physical properties

A new series of luminescent 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl) benzonitriles containing three ring systems, viz. methoxy pyridine, benzonitrile and alkoxy benzene with variable alkoxy chain length, with bent-core structures were synthesized as potential mesogens and characterized by spectral techniques. Their liquid crystalline behavior was investigated by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and variable temperature powder X-ray diffraction (PXRD) measurements. The study reveals that compounds with shorter chain lengths i.e. m = 4] exclusively exhibit the nematic phase while compounds with longer chain lengths i.e. m = 6-14 (only even)] show predominantly the orthorhombic columnar phase. Single crystal X-ray analysis of 4-(2-(4-butyloxy/octyloxyphenyl)-6-methoxypyridin-4-yl) benzonitriles reveals that they possess slightly non-planar unsymmetrical bent structures and their molecular packing consists of nonconventional H-bond interactions; it also explains the observed liquid crystalline phase. An optical study indicates that the title compounds are good blue emitting materials showing absorption and emission bands in the range 335-345 nm and 415-460 nm, respectively. An electrochemical study of 4-(2-(4-octyloxyphenyl)-6-methoxypyridin-4-yl) benzonitrile shows a band gap of 1.89 eV with HOMO and LUMO energy levels of -5.06 and -3.17 eV, respectively. Also, density functional theory (DFT) calculations confirm its optimized geometry, electronic absorption and frontier molecular orbital distributions.

Magnetic field induced tailoring of mechanical behavior of fluid filled micro porous carbon nanotube foam

Compressive loading of the carbon nanotube (CNT) has attracted much attention due to its entangled cellular like structure (CNT foam). This report investigates the mechanical behavior of magnetorheological fluid impregnated micro porous CNT foam that has not been realized before at this scale. Compressive behavior of CNT foam is found to greatly depend on the variation in both fluid viscosity as well as magnetic field intensity. Moreover, maximum achieved stress and energy absorption in CNT foam followed a power law behavior with the magnetic field intensity. Magnetic field induced movement of both CNT and iron oxide particles along the field direction is shown to dominate compressive behavior of CNT foam over highly attractive van der Waals forces between individual CNT. Therefore, this study demonstrates a method for tailoring the mechanical behavior of the fluid impregnated CNT foam. (C) 2014 AIP Publishing LLC.

Cu-II-Azide Polynuclear Complexes of Three Different Building Clusters with the Same Schiff-Base Ligand: Synthesis, Structures, Magnetic Behavior, and Density Functional Theory Studies

Three copper-azido complexes Cu-4(N-3)(8)(L-1)(2)(MeOH)(2)](n) (1), Cu-4(N-3)(8)(L-1)(2)] (2), and Cu-5(N-3)(10)(L-1)(2)](n) (3) L-1 is the imine resulting from the condensation of pyridine-2-carboxaldehyde with 2-(2-pyridyl)ethylamine] have been synthesized using lower molar equivalents of the Schiff base ligand with Cu(NO3)(2)center dot 3H(2)O and an excess of NaN3. Single crystal X-ray structures show that the basic unit of the complexes 1 and 2 contains Cu-4(II) building blocks; however, they have distinct basic and overall structures due to a small change in the bridging mode of the peripheral pair of copper atoms in the linear tetranudear structures. Interestingly, these changes are the result of changing the solvent system (MeOH/H2O to EtOH/H2O) used for the synthesis, without changing the proportions of the components (metal to ligand ratio 2:1). Using even lower proportions of the ligand, another unique complex was isolated with Cu-5(II) building units, forming a two-dimensional complex (3). Magnetic susceptibility measurements over a wide range of temperature exhibit the presence of both antiferromagnetic (very weak) and ferromagnetic exchanges within the tetranuclear unit structures. Density functional theory calculations (using B3LYP functional, and two different basis sets) have been performed on the complexes 1 and 2 to provide a qualitative theoretical interpretation of their overall magnetic behavior.

Role of Cu2+ ions substitution in magnetic and conductivity behavior of nano-CoFe2O4

Cobalt copper ferrite nanopowders with composition Co1-xCu5Fe2O4 (0.0 <= x <= 0.5) was synthesized by solution combustion method. The powder X-ray diffraction studies reveal the formation of single ferrite phase with particle size of similar to 11-35 nm. Due to increase in electron density with in a material, X-ray density increase with increase of Cu2+ ions concentration. As Cu2+ ions concentration increases, saturation magnetization decreases from 38.5 to 26.7 emu g(-1). Further, the squareness ratio was found to be similar to 0.31-0.46 which was well below the typical value 1, which indicates the existence of single domain isolated ferrimagnetic samples. The dielectric and electrical modulus was studied over a frequency range of 1 Hz to 1 MHz at room temperature using the complex impedance spectroscopy technique. Impedance plots showed only one semi-circle which corresponds to the contributions of grain boundaries. The lower values of dielectric loss at higher frequency region may be quite useful for high frequency applications such as microwave devices. (C) 2014 Elsevier B.V. All rights reserved.

Hot deformation behavior of Ni-Fe-Ga-based ferromagnetic shape memory alloy - A study using processing map

Ni-Fe-Ga-based alloys form a new class of ferromagnetic shape memory alloys (FSMAs) that show considerable formability because of the presence of a disordered fcc gamma-phase. The current study explores the deformation processing of this alloy using an off-stoichiometric Ni55Fe59Ga26 alloy that contains the ductile gamma-phase. The hot deformation behavior of this alloy has been characterized on the basis of its flow stress variation obtained by isothermal constant true strain rate compression tests in the 1123-1323 K temperature range and strain rate range of 10(-3)-10 s(-1) and using a combination of constitutive modeling and processing map. The dynamic recrystallization (DRX) regime for thermomechanical processing has been identified for this Heusler alloy on the basis of the processing maps and the deformed microstructures. This alloy also shows evidence of dynamic strain-aging (DSA) effect which has not been reported so far for any Heusler FSMAs. Similar effect is also noticed in a Ni-Mn-Ga-based Heusler alloy which is devoid of any gamma-phase. (C) 2014 Elsevier Ltd. All rights reserved.

Modelling of Effect of Non-Uniform Current Density on the Performance of Soluble Lead Redox Flow Batteries

Soluble lead acid redox flow battery (SLRFB) offers a number of advantages. These advantages can be harnessed after problems associated with buildup of active material on. electrodes (residue) are resolved. A mathematical model is developed to understand residue formation in SLRFB. The model incorporates fluid flow, ion transport, electrode reactions, and non-uniform current distribution on electrode surfaces. A number of limiting cases are studied to conclude that ion transport and electrode reaction on anode simultaneously control battery performance. The model fits the reported cell voltage vs. time profiles very well. During the discharge cycle, the model predicts complete dissolution of deposited material from trailing edge side of the electrodes. With time, the active surface area of electrodes decreases rapidly. The corresponding increase in current density leads to precipitous decrease in cell potential before all the deposited material is dissolved. The successive charge-discharge cycles add to the residue. The model correctly captures the marginal effect of flow rate on cell voltage profiles, and identifies flow rate and flow direction as new variables for controlling residue buildup. Simulations carried out with alternating flow direction and a SLRFB with cylindrical electrodes show improved performance with respect to energy efficiency and residue buildup. (C) 2014 The Electrochemical Society. All rights reserved.

Modelling of optical transport behavior of organic photovoltaic devices with nano-pillar transparent conducting electrodes

Optical transport behavior of organic photo-voltaic devices with nano-pillar transparent electrodes is investigated in this paper in order to understand possible enhancement of their charge-collection efficiency. Modeling and simulations of optical transport due to this architecture show an interesting regime of length-scale dependent optical characteristics. An electromagnetic wave propagation model is employed with simulation objectives toward understanding the mechanism of optical scattering and waveguide effects due to the nano-pillars and effective transmission through the active layer. Partial filling of gaps between the nano-pillars due to the nano-fabrication process is taken into consideration. Observations made in this paper will facilitate appropriate design rules for nano-pillar electrodes. (C) 2014 AIP Publishing LLC.

Effect of hydrogen on the yielding behavior and shear transformation zone volume in metallic glass ribbons

The effect of hydrogen (H) charging on the shear yield strength (tau(max)) and shear transformation zone volume (Omega) of Ni-Nb-Zr metallic glass ribbons, with varying Zr content, were studied through the first pop-in loads during nanoindentation. Weight gain measurements after H charging and desorption studies were utilized to identify how the total H absorbed during charging is partitioned into mobile and immobile (or trapped) parts. These, in turn, indicate the significant role of H mobility in the amorphous structure on the yielding behavior. In high-Zr alloys, tau(max) increases significantly whereas Omega decreases. In low-Zr alloys, a slight decrease in tau(max) and increase in Omega were noted. These experimental observations are rationalized in terms of the mobility of the absorbed H in the amorphous structure and the possible role of it in the shear transformation zone dynamics during deformation of the metallic glass. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.