Role of carrier density and disorder on anisotropic charge transport in polypyrrole

Polypyrrole (PPy) has been synthesized electrochemically on platinum substrate by varying synthesis temperature and dopant concentration. The charge transport in PPy has been investigated as a function of temperature for both in-plane and out-of-plane geometry in a wide temperature range of 5K-300 K. The charge transport showed strong anisotropy and various mechanisms were used to explain the transport. The conductivity ratio, sigma(r) = sigma(300 K)/sigma(5 K) is calculated for each sample to quantify the relative disorder. At all the temperatures, the conductivity values for in-plane transport are found to be more for PPy synthesized at lower temperature, while the behavior is found to be different for out-of-plane transport. The carrier density is found to play a crucial role in case of in-plane transport. An effort has been made to correlate charge transport to morphology by analyzing temperature and frequency dependence of conductivity. Charge transport in lateral direction is found to be dominated by hopping whereas tunneling mechanisms are dominated in vertical direction. Parameters such as density of states at the Fermi level N(E-F)], average hopping distance (R), and average hopping energy (W) have been estimated for each samples in both geometry. (C) 2013 American Institute of Physics. http://dx.doi.org/10.1063/1.4775405]

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.

Bioconvection in an anisotropic scattering suspension of phototactic algae

Phototaxis is a directed swimming response dependent upon the light intensity sensed by microorganisms. Positive phototaxis denotes motion directed towards the source of light and negative phototaxis is motion directed away from it. In this paper, we investigate the onset of bioconvection in a suspension of anisotropic scattering phototactic algae illuminated by collimated radiation at the top. The basic state of the system is defined by the zero fluid flow and the up and down swimming, caused by the positive and negative phototaxis, is balanced by the diffusion. A comprehensive numerical study of the linear stability is presented with particular emphasis on the forward scattering effect. The onset of bioconvection occurs either via a stationary mode or an oscillatory mode. The transition from a stationary mode to an oscillatory mode or vice versa has been observed as the anisotropic coefficient is varied for certain parameter values. (C) 2012 Elsevier Masson SAS. All rights reserved.

Crystallization and preliminary X-ray diffraction studies of Staphylococcus aureus homoserine dehydrogenase

Staphylococcus aureus is a Gram-positive nosocomial pathogen. The prevalence of multidrug-resistant S. aureus strains in both hospital and community settings makes it imperative to characterize new drug targets to combat S. aureus infections. In this context, enzymes involved in cell-wall maintenance and essential amino-acid biosynthesis are significant drug targets. Homoserine dehydrogenase (HSD) is an oxidoreductase that is involved in the reversible conversion of l-aspartate semialdehyde to l-homoserine in a dinucleotide cofactor-dependent reduction reaction. HSD is thus a crucial intermediate enzyme linked to the biosynthesis of several essential amino acids such as lysine, methionine, isoleucine and threonine.

X-ray diffraction and Mossbauer spectroscopy studies of cementite dissolution in cold-drawn pearlitic steel

Cementite dissolution in cold-drawn pearlitic steel (0.8 wt.% carbon) wires has been studied by quantitative X-ray diffraction (XRD) and Mossbauer spectroscopy up to drawing strain 1.4. Quantification of cementite-phase fraction by Rietveld analysis has confirmed more than 50% dissolution of cementite phase at drawing strain 1.4. It is found that the lattice parameter of the ferrite phase determined by Rietveld refinement procedure remains nearly unchanged even after cementite dissolution. This confirms that the carbon atoms released after cementite dissolution do not dissolve in the ferrite lattice as Fe-C interstitial solid solution. Detailed analysis of broadening of XRD line profiles for the ferrite phase shows high density of dislocations (approximate to 10(15)/m(2)) in the ferrite matrix at drawing strain 1.4. The results suggest a dominant role of 111 screw dislocations in the cementite dissolution process. Post-deformation heat treatment leads to partial annihilation of dislocations and restoration of cementite phase. Based on these experimental observations, further supplemented by TEM studies, we have suggested an alternative thermodynamic mechanism of the dissolution process.

Molecular dynamic simulations of elastomer structure and its influence on anisotropic stress under time-varying strain

We investigate the evolution of polymer structure and its influence on uniaxial anisotropic stress under time-varying uniaxial strain, and the role of external control variables such as temperature, strain rate, chain length, and density, using molecular dynamics simulation. At temperatures higher than glass transition, stress anisotropy in the system is reduced even though the bond stretch is greater at higher temperatures. There is a significant increase in the stress level with increasing density. At higher densities, the uncoiling of the chains is suppressed and the major contribution to the deformation is by internal deformation of the chains. At faster rates of loading stress anisotropy increases. The deformation mechanism is mostly due to bond stretch and bond bending rather than overall shape and size. Stress levels increase with longer chain length. There is a critical value of the functionality of the cross-linkers beyond which the uniaxial stress developed increases caused primarily by bond stretching due to increased constraint on the motion of the monomers. Stacking of the chains in the system also plays a dominant role in the behaviour in terms of excluded volume interactions. Low density, high temperature, low values of functionality of cross-linkers, and short chain length facilitate chain uncoiling and chain slipping in cross-linked polymers.

Electric field activated nonlinear anisotropic charge transport in doped polypyrrole

Electric field activated nonlinear transport is investigated in polypyrrole thin film in both in-plane and out-of-plane geometries down to 5 K and strong anisotropy is observed. A morphological model is suggested to explain the anisotropy through inter-chain and intra-chain transport. The deviation from the variable range hopping at low temperature is accounted by fluctuation assisted transport. From Zabrodaskii plots, it is found that electric field can tune the transport from insulating to metallic regime. Glazman-Matveev model is used to describe the nonlinear conduction. Field scaling analysis shows that conductance data at different temperature falls on to a single curve. Nonlinearity exponent, m(T) and characteristic length, L-E are estimated to characterize the transport in both the geometries. (C) 2013 AIP Publishing LLC.

Closed-form nonlinear sectional analysis of pretwisted anisotropic beam with multiple delaminations

Fiber reinforced laminated composite open-section beams are widely used as bearingless rotor flex beams because of their high specific strength and stiffness as well as fatigue life. These laminated composite structures exhibit a number of different failure modes, including fiber-matrix debonding within individual layers, delamination or separation of the layers, transverse cracks through one or more layers and fiber fracture. Delamination is a predominant failure mode in continuous fiber reinforced laminated composites and often initiate near the free edges of the structure. The appearance of delaminations in the composite rotorcraft flexbeams can lead to deterioration of the mechanical properties and, in turn, the helicopter performance as well as safety. Understanding and predicting the influence of free-edge delamination on the overall behavior of the laminates will provide quantitative measures of the extent of the damage and help ensure their damage tolerance.

Successful data recovery from oscillation photographs containing strong polycrystalline diffraction rings from an unknown small-molecule contaminant: preliminary structure solution of Salmonella typhimurium pyridoxal kinase (PdxK)

Pyridoxal kinase (PdxK; EC 2.7.1.35) belongs to the phosphotransferase family of enzymes and catalyzes the conversion of the three active forms of vitamin B-6, pyridoxine, pyridoxal and pyridoxamine, to their phosphorylated forms and thereby plays a key role in pyridoxal 5 `-phosphate salvage. In the present study, pyridoxal kinase from Salmonella typhimurium was cloned and overexpressed in Escherichia coli, purified using Ni-NTA affinity chromatography and crystallized. X-ray diffraction data were collected to 2.6 angstrom resolution at 100 K. The crystal belonged to the primitive orthorhombic space group P2(1)2(1)2(1), with unitcell parameters a = 65.11, b = 72.89, c = 107.52 angstrom. The data quality obtained by routine processing was poor owing to the presence of strong diffraction rings caused by a polycrystalline material of an unknown small molecule in all oscillation images. Excluding the reflections close to powder/polycrystalline rings provided data of sufficient quality for structure determination. A preliminary structure solution has been obtained by molecular replacement with the Phaser program in the CCP4 suite using E. coli pyridoxal kinase (PDB entry 2ddm) as the phasing model. Further refinement and analysis of the structure are likely to provide valuable insights into catalysis by pyridoxal kinases.

Diffraction tomography from intensity measurements: an evolutionary stochastic search to invert experimental data

We develop iterative diffraction tomography algorithms, which are similar to the distorted Born algorithms, for inverting scattered intensity data. Within the Born approximation, the unknown scattered field is expressed as a multiplicative perturbation to the incident field. With this, the forward equation becomes stable, which helps us compute nearly oscillation-free solutions that have immediate bearing on the accuracy of the Jacobian computed for use in a deterministic Gauss-Newton (GN) reconstruction. However, since the data are inherently noisy and the sensitivity of measurement to refractive index away from the detectors is poor, we report a derivative-free evolutionary stochastic scheme, providing strictly additive updates in order to bridge the measurement-prediction misfit, to arrive at the refractive index distribution from intensity transport data. The superiority of the stochastic algorithm over the GN scheme for similar settings is demonstrated by the reconstruction of the refractive index profile from simulated and experimentally acquired intensity data. (C) 2014 Optical Society of America

Anisotropic merging and splitting of dipolar Bose-Einstein condensates

We study the merging and splitting of quasi-two-dimensional Bose-Einstein condensates with strong dipolar interactions. We observe that if the dipoles have a non-zero component in the plane of the condensate, the dynamics of merging or splitting along two orthogonal directions, parallel and perpendicular to the projection of dipoles on the plane of the condensate, are different. The anisotropic merging and splitting of the condensate is a manifestation of the anisotropy of the roton-like mode in the dipolar system. The difference in dynamics disappears if the dipoles are oriented at right angles to the plane of the condensate as in this case the Bogoliubov dispersion, despite having roton-like features, is isotropic.