Effect of two-level systems on the spectral density of universal conductance fluctuations in doped Si

We have studied the power spectral density [S(f) = gamma/f(alpha)] of universal conductance fluctuations (UCF's) in heavily doped single crystals of Si, when the scatterers themselves act as the primary source of dephasing. We observed that the scatterers, with internal dynamics like two-level-systems, produce a significant, temperature-dependent reduction in the spectral slope alpha when T less than or similar to 10 K, as compared to the bare 1/f (alphaapproximate to1) spectrum at higher temperatures. It is further shown that an upper cutoff frequency (f(m)) in the UCF spectrum is necessary in order to restrict the magnitude of conductance fluctuations, [(deltaG(phi))(2)], per phase coherent region (L-phi(3)) to [(deltaGphi)(2)](1/2) less than or similar to e(2)/h. We find that f(m) approximate to tau(D)(-1), where tau(D) = L-2/D, is the time scale of the diffusive motion of the electron along the active length (L) of the sample (D is the electron diffusivity).

Electrochemical tuning and mechanical resilience of single-wall carbon nanotubes

Single-wall carbon nanotubes (SWNTs) are fascinating systems exhibiting many novel physical properties. In this paper, we give a brief review of the structural, electronic, vibrational, and mechanical properties of carbon nanotubes. In situ resonance Raman scattering of SWNTs investigated under electrochemical biasing demonstrates that the intensity of the radial breathing mode varies significantly in a nonmonotonic manner as a function of the cathodic bias voltage, but does not change appreciably under anodic bias. These results can be quantitatively understood in terms of the changes in the energy gaps between the 1 D van Hove singularities in the electron density of states, arising possibly due to the alterations in the overlap integral of pi bonds between the p-orbitals of the adjacent carbon atoms. In the second part of this paper, we review our high-pressure X-ray diffraction results, which show that the triangular lattice of the carbon nanotube bundles continues to persist up to similar to10 GPa. The lattice is seen to relax just before the phase transformation, which is observed at similar to10 GPa. Further, our results display the reversibility of the 2D lattice symmetry even after compression up to 13 GPa well beyond the 5 GPa value observed recently. These experimental results explicitly validate the predicted remarkable mechanical resilience of the nanotubes.

Freezing of classical fluids in a quenched random potential

The phase diagram of a hard-sphere fluid in the presence of a random pinning potential is studied analytically and numerically. In the analytic work, replicas are introduced for averaging over the quenched disorder, and the hypernetted chain approximation is used to calculate density correlations in the replicated liquid. The freezing transition of the liquid into a nearly crystalline state is studied using a density-functional approach, and the liquid to glass transition is studied using a phenomenological replica symmetry breaking approach. In the numerical work, local minima of a discretized version of the Ramakrishnan-Yussouff free-energy functional are located and the phase diagram in the density-disorder plane is obtained from an analysis of the relative stability of these minima. Both approaches lead to similar results for the phase diagram. The first-order liquid to crystalline solid transition is found to change to a continuous liquid to glass transition as the strength of the disorder is increased above a threshold value.

Kinetics of hydrogen evolution on submicron size Co, Ni, Pd and CoNi alloy powder electrodes by d.c. polarization and a.c. impedance studies

Submicron size Co, Ni and Co-Ni alloy powders have been synthesized by the polyol method using the corresponding metal malonates and Pd powder by reduction of PdOx in methanol. The kinetics of the hydrogen evolution reaction ( HER) in 6 M KOH electrolyte have been studied on electrodes made from the pressed powders. The d.c. polarization measurements have resulted in a value close to 120 mV decade(-1) for the Tafel slope, suggesting that the HER follows the Volmer-Heyrovsky mechanism. The values of exchange current density (i(o)) are in the range 1-10 mA cm(-2) for electrodes fabricated in the study. The a.c. impedance spectra measured at several potentials in the HER region showed a single semicircle in the Nyquist plots. Exchange current density (i(o)) and energy transfer coefficient (alpha) have been calculated by employing a nonlinear least square-fitting program.

Potentiodynamically deposited polyaniline on stainless steel - Inexpensive, high-performance electrodes for electrochemical supercapacitors

Polyaniline (PANI) has been studied as an active material for electrochemical capacitors. Polymerization of aniline to PANI has been carried out potentiodynamically on a stainless steel (SS) substrate, instead of Pt-based substrates generally employed for this application. The PANI/SS electrodes have been evaluated by assembling symmetrical capacitors in NaClO(4) + HClO(4) mixed electrolyte and subjecting them to galvanostatic charge/discharge cycles between 0 and 0.75 V. The effect of substrate has been assessed by comparing the capacitance of PANI/SS and PANI/Pt electrodes. The capacitance of PANI/SS electrode is higher than that of PANI/Pt electrode by several times. The effect of sweep rate of potentiodynamic deposition of PANI/SS on capacitance has been investigated. At a power density of 0.5 kW kg(-1), a capacitance value of 815 F g(-1) of PANI is obtained for the deposition sweep rate of 200 mV s(-1). Increase in thickness of PANI on the SS substrate results in an increase in capacitance of PANI. This value of capacitance is the highest ever reported for any electrochemical capacitor material. Thus, in addition to a favorable economic aspect involved in using SS instead of Pt or Pt-based substrate, the advantage of higher capacitance of PANI has also been achieved. (C) 2002 The Electrochemical Society.

The effect of powder processing on densification, microstructure and mechanical properties of hydroxyapatite

The influence of powder processing and sintering temperature on densification, microstructure and mechanical properties of hydroxyapatite (HAp) ceramics was studied. The as-dried, calcined and processed HAp powders were uniaxially compacted and sintered at various temperatures (1000-1400 degreesC) for 3 h. The as-dried and processed powders, attained 97% of theoretical density (TD) at 1100 degreesC) at higher sintering temperatures, the density of the as-dried powder compact was found to decrease. A uniform microstructure with fine grain size (2.3 pm) was observed for material obtained from processed powder, whereas exaggerated grain growth with closed pores were observed in as-dried and unprocessed powder compacts. The Vickers' hardness, fracture toughness and flexural strength of HAp were determined and a maximum value of 6.3 GPa and 0.88 MPam(1/2) and 60.3 MPa, respectively were obtained for processed compact. The processing of HAp has improved its densification, microstructure homogeneity and mechanical properties. (C) 2002 Elsevier Science Ltd and Techna S.r.l. All rights reserved.

Temperature and density dependent solute vibrational relaxation in supercritical fluoroform

Temperature- and density-dependent vibrational relaxation data for the v6 asymmetric stretch of W(CO)6 in supercritical fluoroform (trifluoromethane, CHF3) are presented and compared to a recent theory of solute vibrational relaxation. The theory, which uses thermodynamic and hydrodynamic conditions of the solvent as input parameters, shows very good agreement in reproducing the temperature- and density-dependent trends of the experimental data with a minimum of adjustable parameters. Once a small number of parameters are fixed by fitting the functional form of the density dependence, there are no adjustable parameters in the calculations of the temperature dependence. © 2001 American Institute of Physics.

density matrix renormalization group study of polyacene

We study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople (PPP) Hamiltonian using the Symmetrized Density Matrix Renormalization Group (SDMRG) technique. We find a crossover between the two-photon state and the lowest dipole allowed excited state as the system size is increased from tetracene to pentacene. The spin-gap is the smallest gap. We also study the equilibrium geome tries in the ground and excited states from bond orders and bond-bond correlation functions. We find that the Peierls instability in the ground state of polyacene is conditional both from energetics and structure factors computed froth correlation functions.

Carrier density-dependent transport in poly(3-methylthiophene): from injection-limited to space-charge-limited current

Current-voltage (I-V) and impedance measurements were carried out in doped poly(3-methylthiophene) devices by varying the carrier density. As the carrier concentration reduces the I-V characteristics indicate that the conduction mechanism is limited by metal-polymer interface, as also observed in impedance data. The temperature dependence of I-V in moderately doped samples shows a trap-controlled space-charge-limited conduction (SCLC); whereas in lightly doped devices injection-limited conduction is observed at lower bias and SCLC at higher voltages. The carrier density-dependent quasi-Fermi level adjustment and trap-limited transport could explain this variation in conduction mechanism. Capacitance measurements at lower frequencies and higher bias voltages show a sign change in values due to the significant variations in the relaxation behaviour for lightly and moderately doped samples. The electrical hysteresis increases as carrier density is reduced due to the time scales involved in the de-trapping of carriers.

Calcium-Decorated Carbyne Networks as Hydrogen Storage Media

Among the carbon allotropes, carbyne chains appear outstandingly accessible for sorption and very light. Hydrogen adsorption on calcium-decorated carbyne chain was studied using ab initio density functional calculations. The estimation of surface area of carbyne gives the value four times larger than that of graphene, which makes carbyne attractive as a storage scaffold medium. Furthermore, calculations show that a Ca-decorated carbyne can adsorb up to 6 H(2) molecules per Ca atom with a binding energy of similar to 0.2 eV, desirable for reversible storage, and the hydrogen storage capacity can exceed similar to 8 wt %. Unlike recently reported transition metal-decorated carbon nanostructures, which suffer from the metal clustering diminishing the storage capacity, the clustering of Ca atoms on carbyne is energetically unfavorable. Thermodynamics of adsorption of H(2) molecules on the Ca atom was also investigated using equilibrium grand partition function.

Minimum error solutions of the Boltzmann equation for shock structure

‘Best’ solutions for the shock-structure problem are obtained by solving the Boltzmann equation for a rigid sphere gas by applying minimum error criteria on the Mott-Smith ansatz. The use of two such criteria minimizing respectively the local and total errors, as well as independent computations of the remaining error, establish the high accuracy of the solutions, although it is shown that the Mott-Smith distribution is not an exact solution of the Boltzmann equation even at infinite Mach number. The minimum local error method is found to be particularly simple and efficient. Adopting the present solutions as the standard of comparison, it is found that the widely used v2x-moment solutions can be as much as a third in error, but that results based on Rosen's method provide good approximations. Finally, it is shown that if the Maxwell mean free path on the hot side of the shock is chosen as the scaling length, the value of the density-slope shock thickness is relatively insensitive to the intermolecular potential. A comparison is made on this basis of present results with experiment, and very satisfactory quantitative agreement is obtained.

Stability of the flow of a fluid through a flexible tube at high Reynolds number

The stability of the Hagen-Poiseuille flow of a Newtonian fluid in a tube of radius R surrounded by an incompressible viscoelastic medium of radius R < r < HR is analysed in the high Reynolds number regime. The dimensionless numbers that affect the fluid flow are the Reynolds number Re = (ρVR / η), the ratio of the viscosities of the wall and fluid ηr = (ηs/η), the ratio of radii H and the dimensionless velocity Γ = (ρV2/G)1/2. Here ρ is the density of the fluid, G is the coefficient of elasticity of the wall and Vis the maximum fluid velocity at the centre of the tube. In the high Reynolds number regime, an asymptotic expansion in the small parameter ε = (1/Re) is employed. In the leading approximation, the viscous effects are neglected and there is a balance between the inertial stresses in the fluid and the elastic stresses in the medium. There are multiple solutions for the leading-order growth rate do), all of which are imaginary, indicating that the fluctuations are neutrally stable, since there is no viscous dissipation of energy or transfer of energy from the mean flow to the fluctruations due to the Reynolds strees. There is an O(ε1/2) correction to the growth rate, s(1), due to the presence of a wall layer of thickness ε1/2R where the viscous stresses are O(ε1/2) smaller than the inertial stresses. An energy balance analysis indicates that the transfer of energy from the mean flow to the fluctuations due to the Reynolds stress in the wall layer is exactly cancelled by an opposite transfer of equal magnitude due to the deformation work done at the interface, and there is no net transfer from the mean flow to the fluctuations. Consequently, the fluctuations are stabilized by the viscous dissipation in the wall layer, and the real part of s(1) is negative. However, there are certain values of Γ and wavenumber k where s(l) = 0. At these points, the wail layer amplitude becomes zero because the tangential velocity boundary condition is identically satisfied by the inviscid flow solution. The real part of the O(ε) correction to the growth rate s(2) turns out to be negative at these points, indicating a small stabilizing effect due to the dissipation in the bulk of the fluid and the wall material. It is found that the minimum value of s(2) increases [is proportional to] (H − 1)−2 for (H − 1) [double less-than sign] 1 (thickness of wall much less than the tube radius), and decreases [is proportional to] (H−4 for H [dbl greater-than sign] 1. The damping rate for the inviscid modes is smaller than that for the viscous wall and centre modes in a rigid tube, which have been determined previously using a singular perturbation analysis. Therefore, these are the most unstable modes in the flow through a flexible tube.

Steady compressible flow of cohesionless granular materials through a wedge-shaped bunker

A continuum model based on the critical-state theory of soil mechanics is used to generate stress, density, and velocity profiles, and to compute discharge rates for the flow of granular material in a mass flow bunker. The bin–hopper transition region is idealized as a shock across which all the variables change discontinuously. Comparison with the work of Michalowski (1987) shows that his experimentally determined rupture layer lies between his prediction and that of the present theory. However, it resembles the former more closely. The conventional condition involving a traction-free surface at the hopper exit is abandoned in favour of an exit shock below which the material falls vertically with zero frictional stress. The basic equations, which are not classifiable under any of the standard types, require excessive computational time. This problem is alleviated by the introduction of the Mohr–Coulomb approximation (MCA). The stress, density, and velocity profiles obtained by integration of the MCA converge to asymptotic fields on moving down the hopper. Expressions for these fields are derived by a perturbation method. Computational difficulties are encountered for bunkers with wall angles θw [gt-or-equal, slanted] 15° these are overcome by altering the initial conditions. Predicted discharge rates lie significantly below the measured values of Nguyen et al. (1980), ranging from 38% at θw = 15° to 59% at θw = 32°. The poor prediction appears to be largely due to the exit condition used here. Paradoxically, incompressible discharge rates lie closer to the measured values. An approximate semi-analytical expression for the discharge rate is obtained, which predicts values within 9% of the exact (numerical) ones in the compressible case, and 11% in the incompressible case. The approximate analysis also suggests that inclusion of density variation decreases the discharge rate. This is borne out by the exact (numerical) results – for the parameter values investigated, the compressible discharge rate is about 10% lower than the incompressible value. A preliminary comparison of the predicted density profiles with the measurements of Fickie et al. (1989) shows that the material within the hopper dilates more strongly than predicted. Surprisingly, just below the exit slot, there is good agreement between theory and experiment.

Indium Nitride Nanometric-Objects on c-Sapphire Grown by Plasma-Assisted Molecular Beam Epitaxy

The indium nitride (InN)-based nanometric-objects were grown directly on a c-sapphire substrate by using plasma-assisted molecular beam epitaxy (PAMBE) at different substrate temperatures. High resolution X-ray diffraction (HRXRD) reveals the InN (0002) reflection and full width at half maximum (FWHM) found to be decreased with increasing the growth temperature. The size, height and density of the grown nanometric-objects studied by scanning electron microscopy (SEM) has remarkable differences, evidencing the decisive role of substrate temperature. Photoluminescence (PL) studies revealed that the emission energy is shifted towards the higher side from the bulk value, i.e., a blue shift in the PL spectra was observed. The temperature dependence of the PL peak position shows an ``S-shaped'' emission energy shift, which can be attributed to the localization of carriers in the nanometric-objects.

Determining Top K Nodes in Social Networks using the Shapley Value

In this paper, we consider the problem of selecting, for any given positive integer k, the top-k nodes in a social network, based on a certain measure appropriate for the social network. This problem is relevant in many settings such as analysis of co-authorship networks, diffusion of information, viral marketing, etc. However, in most situations, this problem turns out to be NP-hard. The existing approaches for solving this problem are based on approximation algorithms and assume that the objective function is sub-modular. In this paper, we propose a novel and intuitive algorithm based on the Shapley value, for efficiently computing an approximate solution to this problem. Our proposed algorithm does not use the sub-modularity of the underlying objective function and hence it is a general approach. We demonstrate the efficacy of the algorithm using a co-authorship data set from e-print arXiv (www.arxiv.org), having 8361 authors.