On Walkup's class K (d) and a minimal triangulation of (S-3 (sic) S-1)(#3)

For d >= 2, Walkup's class K (d) consists of the d-dimensional simplicial complexes all whose vertex-links are stacked (d - 1)-spheres. Kalai showed that for d >= 4, all connected members of K (d) are obtained from stacked d-spheres by finitely many elementary handle additions. According to a result of Walkup, the face vector of any triangulated 4-manifold X with Euler characteristic chi satisfies f(1) >= 5f(0) - 15/2 chi, with equality only for X is an element of K(4). Kuhnel observed that this implies f(0)(f(0) - 11) >= -15 chi, with equality only for 2-neighborly members of K(4). Kuhnel also asked if there is a triangulated 4-manifold with f(0) = 15, chi = -4 (attaining equality in his lower bound). In this paper, guided by Kalai's theorem, we show that indeed there is such a triangulation. It triangulates the connected sum of three copies of the twisted sphere product S-3 (sic) S-1. Because of Kuhnel's inequality, the given triangulation of this manifold is a vertex-minimal triangulation. By a recent result of Effenberger, the triangulation constructed here is tight. Apart from the neighborly 2-manifolds and the infinite family of (2d + 3)-vertex sphere products Sd-1 X S-1 (twisted for d odd), only fourteen tight triangulated manifolds were known so far. The present construction yields a new member of this sporadic family. We also present a self-contained proof of Kalai's result. (C) 2011 Elsevier B.V. All rights reserved.

Microstructural stability and superplasticity in an electrodeposited nanocrystalline Ni-P alloy

Stabilization of nanocrystalline grain sizes by second phase particles can facilitate superplasticity at high strain rates and/or low temperatures. A metastable single phase nano-Ni-P alloy prepared by electrodeposition, with a grain size of similar to 6 nm, transforms to a nanoduplex structure at T> 673 K, with similar to 4 vol.% Ni3P particles at triple junctions and within Ni grains. The nanoduplex microstructure is reasonably stable up to 777 K, and the growth of Ni grains occurs in a coupled manner with the growth of Ni3P particles such that the ratio of the two mean sizes (Z) is essentially constant. High temperature tests for a grain size of 290 nm reveal superplastic behavior with an optimum elongation to failure of 810% at a strain rate of 7 x 10(-4) s(-1) and a relatively low temperature of 777 K. Superplastic deformation enhances both grain growth and the ratio Z, implying that grain boundary sliding (GBS) significantly influences the microstructural dynamics. Analysis of the deformation processes suggests that superplasticity is associated with GBS controlled by the overcoming of intragranular particles by dislocations, so that deformation is independent of the grain size. The nano-Ni-P alloy exhibits lower ductility than nano-Ni due to concurrent cavitation caused by higher stresses. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Thiophene adsorption studies on clean and hydrogen-preadsorbed MoS2(100) surface

It is known from temperature-programmed desorption studies that the binding energy of thiophene over Mo/gamma-Al2O3 and Co-Mo/gamma-Al2O3, hydrodesulfurization catalysts, is lower in the presence of hydrogen. The adsorption of thiophene on clean and hydrogen-adsorbed MoS2 was modelled using extended Huckel tight binding band structure calculations. In the eta(1) adsorption configuration the calculations show a lower binding energy for adsorption on the hydrogen-preadsorbed surface similar to that observed experimentally. The lowering is due to an increased occupancy of the Mo density of states in the presence of hydrogen.

Effects of surface treatments and size of fly ash particles on the compressive properties of epoxy based particulate composites

Particulate reinforcements for polymers are selected with dual objective of improving composite properties and save on the total cost of the system. In the present study fly ash, an industrial waste with good properties is used as filler in epoxy and the compressive properties of such composites are studied. Particle surfaces are treated chemically using a silane-coupling agent to improve the compatibility with the matrix. The compressive properties of these are compared with those made of untreated fly ash particulates. Furthermore properties of fly ash composites with two different average particle sizes are first compared between themselves and then with those made using the as-received bimodal nature of particle size distribution. Microscopic observations of compression tested samples revealed a better adherence of the particles with the matrix in case of treated particles and regards the size effect the composites with lower average particle size showed improved strength at higher filler contents. Experimental values of strengths and modulii are compared with some of the theoretical models for composite properties. (C) 2002 Kluwer Academic Publishers.

Surface chemical characterisation of Paenibacillus polymyxa before and after adaptation to sulfide minerals

A heterotroph Paenibacillus polymyxa bacteria is adapted to pyrite, chalcopyrite, galena and sphalerite minerals by repeated subculturing the bacteria in the presence of the mineral until their growth characteristics became similar to the growth in the absence of mineral. The unadapted and adapted bacterial surface have been chemically characterised by zeta-potential, contact angle, adherence to hydrocarbons and FT-IR spectroscopic studies. The surface free energies of bacteria have been calculated by following the equation of state and surface tension component approaches. The aim of the present paper is to understand the changes in surface chemical properties of bacteria during adaptation to sulfide minerals and the projected consequences in bioflotation and bioflocculation processes. The mineral-adapted cells became more hydrophilic as compared to unadapted cells. There are no significant changes in the surface charge of bacteria before and after adaptation, and all the bacteria exhibit an iso-electric point below pH 2.5. The contact angles are observed to be more reliable for hydrophobicity assessment than the adherence to hydrocarbons. The Lifschitz–van der Waals/acid–base approach to calculate surface free energy is found to be relevant for mineral–bacteria interactions. The diffuse reflectance FT-IR absorbance bands for all the bacteria are the same illustrating similar surface chemical composition. However, the intensity of the bands for unadapted and adapted cells is significantly varied and this is due to different amounts of bacterial secretions underlying different growth conditions.

Ab initio, DFT and transition state theory calculations on 1,2-HF, HCI and CIF elimination reactions from CH2F-CH2Cl

This paper reports ab intio, DFT and transition state theory (TST) calculations on HF, HCI and CIF elimination reactions from CH2Cl-CH2F molecule. Both the ground state and the transition state for HX elimination reactions have been optimized at HF, MP2 and DFT calculations with 6-31G*, 6-31G** and 6-311++G** basis sets. In addition, CCSD(T) single point calculations were carried out with MP2/6-311++G** optimized geometry for more accurate determination of the energies of the minima and transition state, compared to the other methods employed here. Classical barriers are converted to Arrhenius activation energy by TST calculations for comparisons with experimental results. The pre-exponential factors, A, calculated at all levels of theory are significantly larger than the experimental values. For activation energy, E-a DFT gives good results for HF elimination, within 4-8 W mol(-1) from experimental values. None of the methods employed, including CCSD(T), give comparable results for HCI elimination reactions. However, rate constants calculated by CCSD(T) method are in very good agreement with experiment for HCI elimination and they are in reasonable agreement for HF elimination reactions. Due to the strong correlation between A and E., the rate constants could be fit to a lower A and E-a (as given by experimental fitting, corresponding to a tight TS) or to larger A and E-a (as given by high level ab initio calculations, corresponding to a loose TS). The barrier for CIF elimination is determined to be 607 U mol(-1) at HF level and it is unlikely to be important for CH2FCH2Cl. Results for other CH2X-CH2Y (X,Y = F/Cl) are included for comparison.

Densification and microstructure development in spark plasma sintered WC–6 wt% ZrO2 nanocomposites

In this paper, we report the results of a transmission electron microscopy investigation on WC–6 wt% ZrO2nanocomposite, spark plasma sintered at 1300 °C, for varying times of up to 20 min. The primary aim of this work was to understand the evolution of microstructure during such a sintering process. The investigation revealed the presence of nanocrystalline ZrO2particles (30–50 nm) entrapped within submicron WC grains. In addition, relatively coarser ZrO2(60–100 nm) particles were observed to be either attached to WC grain boundaries or located at WC triple grain junctions. The evidence of the presence of a small amount of W2C, supposed to have been formed due to sintering reaction between WC and ZrO2, is presented here. Detailed structural investigation indicated that ZrO2in the spark plasma sintered nanocomposite adopted an orthorhombic crystal structure, and the possible reasons for o-ZrO2formation are explained. The increase in kinetics of densification due to the addition of ZrO2is believed to be caused by the enhanced diffusion kinetics in the presence of nonstoichiometric nanocrystalline ZrO2.

Guessing and compression subject to distortion

The problem of guessing a random string is revisited. The relation-ship between guessing without distortion and compression is extended to the case when source alphabet size is countably in¯nite. Further, similar relationship is established for the case when distortion allowed by establishing a tight relationship between rate distortion codes and guessing strategies.

Electrical and magneto-resistance of Co/CNT/epoxy thin film for strain and magnetic field sensing

Cobalt and iron nanoparticles are doped in carbon nanotube (CNT)/polymer matrix composites and studied for strain and magnetic field sensing properties. Characterization of these samples is done for various volume fractions of each constituent (Co and Fe nanoparticles and CNTs) and also for cases when only either of the metallic components is present. The relation between the magnetic field and polarization-induced strain are exploited. The electronic bandgap change in the CNTs is obtained by a simplified tight-binding formulation in terms of strain and magnetic field. A nonlinear constitutive model of glassy polymer is employed to account for (1) electric bias field dependent softening/hardening (2) CNT orientations as a statistical ensemble and (3) CNT volume fraction. An effective medium theory is then employed where the CNTs and nanoparticles are treated as inclusions. The intensity of the applied magnetic field is read indirectly as the change in resistance of the sample. Very small magnetic fields can be detected using this technique since the resistance is highly sensitive to strain. Its sensitivity due to the CNT volume fraction is also discussed. The advantage of this sensor lies in the fact that it can be molded into desirable shape and can be used in fabrication of embedded sensors where the material can detect external magnetic fields on its own. Besides, the stress-controlled hysteresis of the sample can be used in designing memory devices. These composites have potential for use in magnetic encoders, which are made of a magnetic field sensor and a barcode.

Field emission properties of carbon nanotube arrays with defects and impurities

Field emission from carbon nanotubes (CNTs) in the form of arrays or thin films give rise to several strongly correlated process of electromechanical interaction and degradation. Such processes are mainly due to (1) electron-phonon interaction (2) electromechanical force field leading to stretching of CNTs (3) ballistic transport induced thermal spikes, coupled with high dynamic stress, leading to degradation of emission performance at the device scale. Fairly detailed physics based models of CNTs considering the aspects (1) and (2) above have already been developed by these authors, and numerical results indicate good agreement with experimental results. What is missing in such a system level modeling approach is the incorporation of structural defects and vacancies or charge impurities. This is a practical and important problem due to the fact that degradation of field emission performance is indeed observed in experimental I-V curves. What is not clear from these experiments is whether such degradation in the I-V response is due to dynamic reorientation of the CNTs or due to the defects or due to both of these effects combined. Non-equilibrium Green’s function based simulations using a tight-binding Hamiltonian for single CNT segment show up the localization of carrier density at various locations of the CNTs. About 11% decrease in the drive current with steady difference in the drain current in the range of 0.2-0.4V of the gate voltage was reported in literature when negative charge impurity was introduced at various locations of the CNT over a length of ~20nm. In the context of field emission from CNT tips, a simplistic estimate of defects have been introduced by a correction factor in the Fowler-Nordheim formulae. However, a more detailed physics based treatment is required, while at the same time the device-scale simulation is necessary. The novelty of our present approach is the following. We employ a concept of effective stiffness degradation for segments of CNTs, which is due to structural defects, and subsequently, we incorporate the vacancy defects and charge impurity effects in the Green’s function based approach. Field emission induced current-voltage characteristics of a vertically aligned CNT array on a Cu-Cr substrate is then simulated using a detailed nonlinear mechanistic model of CNTs coupled with quantum hydrodynamics. An array of 10 vertically aligned and each 12 m long CNTs is considered for the device scale analysis. Defect regions are introduced randomly over the CNT length. The result shows the decrease in the longitudinal strain due to defects. Contrary to the expected influence of purely mechanical degradation, this result indicates that the charge impurity and hence weaker transport can lead to a different electromechanical force field, which ultimately can reduce the strain. However, there could be significant fluctuation in such strain field due to electron-phonon coupling. The effect of such fluctuations (with defects) is clearly evident in the field emission current history. The average current also decreases significantly due to such defects.

Energy-insensitive Guidance of Solid Motor Propelled Long Range Flight Vehicles Using MPSP and Dynamic Inversion

A energy-insensitive explicit guidance design is proposed in this paper by appending newlydeveloped nonlinear model predictive static programming technique with dynamic inversion, which render a closed form solution of the necessary guidance command update. The closed form nature of the proposed optimal guidance scheme suppressed the computational difficulties, and facilitate realtime solution. The guidance law is successfully verified in a solid motor propelled long range flight vehicle, for which developing an effective guidance law is more difficult as compared to a liquid engine propelled vehicle, mainly because of the absence of thrust cutoff facility. The scheme guides the vehicle appropriately so that it completes the mission within a tight error bound assuming that the starting point of the second stage to be a deterministic point beyond the atmosphere. The simulation results demonstrate its ability to intercept the target, even with an uncertainty of greater than 10% in the burnout time

Barrier height inhomogeneities in InN/GaN heterostructure based Schottky junctions

The electrical transport properties of InN/GaN heterostructure based Schottky junctions were studied over a wide temperature range of 200-500 K. The barrier height and the ideality factor were calculated from current-voltage (I-V) characteristics based on thermionic emission (TE), and found to be temperature dependent. The barrier height was found to increase and the ideality factor to decrease with increasing temperature. The observed temperature dependence of the barrier height indicates that the Schottky barrier height is inhomogeneous in nature at the heterostructure interface. Such inhomogeneous behavior was modeled by assuming the existence of a Gaussian distribution of barrier heights at the heterostructure interface. (C) 2011 Elsevier Ltd. All rights reserved.

Effect of surface on the conductance characteristics of Au‐Bi2Sr2CaCu2O8+δ (single crystal) point contact junctions

We report the effect of surface treatments on the dynamic conductance curves (G=dI/dV‐V) of Au‐Bi2Sr2CaCu2O8+δ (single crystal) point contact junctions of variable junction conductances (100 mS≳G≳100 μS). We find that if the crystal surface is cleaved freshly just prior to making contacts, all irreproducible sharp multiple features often observed in tunneling data of Bi(2212) oxide superconductors disappear. If the cleaved crystal surfaces are left under ambient conditions for a few days and the tunneling experiments are repeated, these multiple features reappear. We also find that if the current in the junction is made to pass predominantly through the bulk (and not along the surface), gap features are sharper. The observed conductance curves are fitted to a modified model [G. E. Blonder et al., Phys. Rev. B 25, 4515 (1982)] and estimated gap values are Δ≂28 to 30 meV corresponding to the ratio 2Δ/kBTc ≂ 7.5 with lifetime broadening Γ/Δ≂0.2. We conclude that the sharp multiple features observed in Bi(2212) tunneling curves has no intrinsic origin in the bulk and they arise from the surface only.

Synthesis, structural characterization and ferroelectric properties of Pb(0.76)Ca(0.24)TiO(3) nanotubes

A capillary-enforced template-based method has been applied to fabricate Pb(0.76)Ca(0.24)TiO(3) (PCT24) nanotubes via filling PCT24 precursor solution, prepared by modified sol-gel method, into nanochannels of anodic aluminum oxide templates. The morphology and structure of as-prepared PCT24 were examined by scanning electron microscopy, transmission electron microscopy (TEM) and X-ray diffraction techniques. The obtained PCT24 nanotubes with diameter of similar to 200 nm and wall thickness of similar to 20 nm exhibited a tetragonal perovskite structure. High resolution TEM (HRTEM) analysis confirmed that as-obtained PCT24 nanotubes made up of nanoparticles (5-8 nm) which were randomly aligned in the nanotubes. Formation of some solid crystalline PCT24 nanorods, Y-junctions and multi-branches were observed. Interconnections in the pores of template are responsible for the growth of Y-junctions and multi-branches. The possible formation mechanism of PCT24 nanotubes/nanorods was discussed. Ferroelectric hysteresis loops of PCT24 nanotube arrays were measured, showing a room temperature ferroelectric characteristic of as-prepared PCT24 nanotubes. (C) 2011 Elsevier B.V. All rights reserved.

Incremental Cycle Detection, Topological Ordering, and Strong Component Maintenance

We present two online algorithms for maintaining a topological order of a directed n-vertex acyclic graph as arcs are added, and detecting a cycle when one is created. Our first algorithm handles m arc additions in O(m(3/2)) time. For sparse graphs (m/n = O(1)), this bound improves the best previous bound by a logarithmic factor, and is tight to within a constant factor among algorithms satisfying a natural locality property. Our second algorithm handles an arbitrary sequence of arc additions in O(n(5/2)) time. For sufficiently dense graphs, this bound improves the best previous bound by a polynomial factor. Our bound may be far from tight: we show that the algorithm can take Omega(n(2)2 root(2lgn)) time by relating its performance to a generalization of the k-levels problem of combinatorial geometry. A completely different algorithm running in Theta (n(2) log n) time was given recently by Bender, Fineman, and Gilbert. We extend both of our algorithms to the maintenance of strong components, without affecting the asymptotic time bounds.