957 resultados para matrix-located processing peptidase
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We have carried out symmetrized density-matrix renormalization-group calculations to study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople Hamiltonian. We have used the C-2 symmetry, the electron-hole symmetry, and the spin parity of the system in our calculations. We find that there is a crossover in the lowest dipole forbidden two-photon state and the lowest dipole allowed excited state with size of the oligomer. In the long system limit, the two-photon state lies below the lowest dipole allowed excited state. The triplet state lies well below the two-photon state and energetically does not correspond to its description as being made up of two triplets. These results are in agreement with the general trends in linear conjugated polymers. However, unlike in linear polyenes wherein the two-photon state is a localized excitation, we find that in polyacenes, the two-photon excitation is spread out over the system. We have doped the systems with a hole and an electron and have calculated the charge excitation gap. Using the charge gap and the optical gap, we estimate the binding energy of the 1(1)B(-) exciton to be 2.09 eV. We have also studied doubly doped polyacenes and find that the bipolaron in these systems, to be composed of two separated polarons, as indicated by the calculated charge-density profile and charge-charge correlation function. We have studied bond orders in various states in order to get an idea of the excited state geometry of the system. We find that the ground state, the triplet state, the dipole allowed state, and the polaron excitations correspond to lengthening of the rung bonds in the interior of the oligomer while the two-photon excitation corresponds to the rung bond lengths having two maxima in the system.
Resumo:
Use of dipolar and quadrupolar couplings for quantum information processing (QIP) by nuclear magnetic resonance (NMR) is described. In these cases, instead of the individual spins being qubits, the 2(n) energy levels of the spin-system can be treated as an n-qubit system. It is demonstrated that QIP in such systems can be carried out using transition-selective pulses, in (CHCN)-C-3, (CH3CN)-C-13, Li-7 (I = 3/2) and Cs-133 (I = 7/2), oriented in liquid crystals yielding 2 and 3 qubit systems. Creation of pseudopure states, implementation of logic gates and arithmetic operations (half-adder and subtractor) have been carried out in these systems using transition-selective pulses.
Resumo:
In this paper, electroleaching and electrobioleaching of ocean manganese nodules are discussed along with the role of galvanic interactions in bioleaching. Polarization studies using a manganese nodule slurry electrode system indicated that the maximum dissolution of iron and manganese due to electrochemical reduction occurred at negative DC potentials of -600 and -1,400 mV(SCE). Electroleaching and electrobioleaching of ocean manganese nodules in the presence of Acidithiobacillus ferrooxidans and Acidithiobacillus thiooxidans at the above negative applied DC potentials resulted insignificant dissolution of copper, nickel and cobalt in 1 M H2SO4 and in sulfuric acid solution at pH 0.5 and 2.0. Mechanisms involved in electrobioleaching of ocean manganese nodules are discussed. Galvanic leaching of ocean manganese nodules in the presence of externally added pyrite and pyrolusite for enhancement of dissolution was also studied. Various electrochemical and biochemical parameters were optimized, and the electroleaching and galvanic processes thus developed are shown to yield almost complete dissolution of all metal values. This electrobioleaching process developed in the laboratory may be cost effective, energy efficient and environmentally friendly.
Resumo:
Experimental realization of quantum information processing in the field of nuclear magnetic resonance (NMR) has been well established. Implementation of conditional phase-shift gate has been a significant step, which has lead to realization of important algorithms such as Grover's search algorithm and quantum Fourier transform. This gate has so far been implemented in NMR by using coupling evolution method. We demonstrate here the implementation of the conditional phase-shift gate using transition selective pulses. As an application of the gate, we demonstrate Grover's search algorithm and quantum Fourier transform by simulations and experiments using transition selective pulses. (C) 2002 Elsevier Science (USA). All rights reserved.
Resumo:
In situ formations of Al2O3 + ZrO2 + SiCW ternary composite powders have been obtained by carbothermal reduction of a mixture of Sillimanite. Kaolin and Zircon using two different carbon sources. Products formed were mixtures of alumina and zirconia along with silicon carbide in the form of whiskers. The effects of composition of the reactants, the role of fineness of the starting precursors and the nature of the carbon Source on the final product powder obtained are presented. XRD and SEM analyses indicate complete reaction of the precursors to yield Al2O3 + ZrO2 + SiCW as product powders, with the SiC having whisker morphology. It is also seen that zirconia could be stabilised to some extent in the tetragonal form without any stabilising agent by tailoring the starting materials and their composition. (C) 2002 Published by Elsevier Science B.V.
Resumo:
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.
Resumo:
Aluminium nitride (AlN)-Al matrices reinforced with Al2O3 particulate have been fabricated by reactive infiltration of Al-2% Mg alloy into Al2O3 preforms in N-2 in the temperature range of 900-1075 degreesC. The growth of composites of useful thickness was facilitated by the presence of a Mg-rich external getter, in the absence of which composite growth is self-limiting and terminates prematurely. Successful growth of composites has been attributed to the reduction in residual oxygen partial pressure brought about by the reaction with oxygen of highly volatile Mg in the getter alloy. The microstructure of the matrix consists of AlN-rich regions contiguous with the particulate with metal-rich channels in-between, thereby suggesting that nitridation initiates by preferential wicking of alloy along the particle surfaces. The increase in nitride content of the matrix with temperature is consistent with hardness values that vary between similar to3 and 10 GPa. (C) 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.
Polymerization of pyrrole and processing of the resulting polypyrrole as blends with plasticised PVC
Resumo:
Polypyrrole was synthesized by chemical oxidation of pyrrole in water containing various sulphonic acids like toluene sulphonic acid (TSA), sulphosalicylic acid (SSA), and camphor sulphonic acid (CSA), as well as a combination of each sulphonic acid with sodium dodecyl benzene sulphonate (NaDBS) to investigate the effect of doping on conductivity, yield, and processability of the conducting polymer. Free-standing blend films of polypyrrole and plasticized polyvinyl chloride (PVC) were obtained by casting an homogeneous suspension of the two polymers in tetrahydrofuran. The maximum conductivity of the blend film is similar to 0.3 S/cm, corresponding to a weight fraction of 0.16 w/w polypyrrole. The blend film is semiconducting in the range 300-10 K. A TG-DTA scan indicates the blend film to be amorphous with a stepwise decomposition process similar to pristine PVC. The choice of a dual dopant system during synthesis and the plasticised polymer during subsequent processing were keys to obtaining homogeneous high-quality films. (C) 2001 John Wiley & Sons, Inc.
Resumo:
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.
Resumo:
In order to obtain basic understanding of microstructure evolution in laser-surface-alloyed layers, aluminum was surface alloyed on a pure nickel substrate using a CO2 laser. By varying the laser scanning speed, the composition of the surface layers can be systematically varied. The Ni content in the layer increases with increase in scanning speed. Detailed cross-sectional transmission electron microscopic study reveals complexities in solidification behavior with increased nickel content. It is shown that ordered B2 phase forms over a wide range of composition with subsequent precipitation of Ni2Al, an ordered omega phase in the B2 matrix, during solid-state cooling. For nickel-rich alloys associated with higher laser scan speed, the fcc gamma phase is invariably the first phase to grow from the liquid with solute trapping. The phase reorders in the solid state to yield gamma' Ni3Al. The phase competes with beta AlNi, which forms massively from the liquid. The beta AlNi transforms martensitically to a 3R structure during cooling in solid state. The results can be rationalized in terms of a metastable phase diagram proposed earlier. However, the results are at variance with earlier studies of laser processing of nickel-rich alloys.
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The role of matrix microstructure on the fracture of Al-alloy composites with 60 vol% alumina particulates was studied. The matrix composition and microstructure were systematically varied by changing the infiltration temperature and heat treatment. Characterization was carried out by a combination of metallography, hardness measurements, and fracture studies conducted on compact tension specimens to study the fracture toughness and crack growth in the composites. The composites showed a rise in crack resistance with crack extension (R curves) due to bridges of intact matrix ligaments formed in the crack wake. The steady-state or plateau toughness reached upon stable crack growth was observed to be more sensitive to the process temperature rather than to the heat treatment. Fracture in the composites was predominantly by particle fracture, extensive deformation, and void nucleation in the matrix. Void nucleation occurred in the matrix in the as-solutionized and peak-aged conditions and preferentially near the interface in the underaged and overaged conditions. Micromechanical models based on crack bridging by intact ductile ligaments were modified by a plastic constraint factor from estimates of the plastic zone formed under indentations, and are shown to be adequate in predicting the steady-state toughness of the composite.
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Composite coatings containing quasicrystalline (QC) phases in Al-Cu-Fe alloys were prepared by laser cladding using a mixture of the elemental powders. Two substrates, namely pure aluminum and an Al-Si alloy were used. The clad layers were remelted at different scanning velocities to alter the growth conditions of different phases. The process parameters were optimized to produce quasicrystalline phases. The evolution of the microstructure in the coating layer was characterized by detailed microstructural investigation. The results indicate presence of quasicrystals in the aluminum substrate. However, only approximant phase could be observed in the substrate of Al-Si alloys. It is shown that there is a significant transport of Si atoms from the substrate to the clad layer during the cladding and remelting process. The hardness profiles of coatings on aluminum substrate indicate a very high hardness. The coating on Al-Si alloy, on the other hand, is ductile and soft. The fracture toughness of the hard coating on aluminum was obtained by nano-indentation technique. The K1C value was found to be 1.33 MPa m1/2 which is typical of brittle materials.
Resumo:
In this article, the effect of initial microstructure on the texture evolution in 2014 Al alloy during equal channel angular pressing (ECAP) through route A has been reported. Three heat treatment conditions were chosen to generate the initial microstructures, namely (i) the recrystallization anneal (as-received), (ii) solution treatment at 768 K for 1 h, and (iii) solution treatment (768 K for 1 h) plus aging at 468 K for 5 h. Texture analyses were performed using orientation distribution function (ODF) method. The texture strength after ECAP processing was different for the three samples in the order, solutionised > solutionised plus aged condition > as-received. The prominent texture components were A (E) /(A) over bar (E) and B(E)/(B) over bar (E) in addition to several weaker components for the three materials. The strong texture evolution in solutionised condition has been attributed to higher strain hardening of the matrix due to higher amount of solute. In case of the as-received as well as solutionised plus aged alloy, the weaker texture could be due to the strain scattering from extensive precipitate fragmentation and dissolution during ECAP.
Resumo:
Processing maps have been developed for hot deformation of Mg-2Zn-1Mn alloy in as-cast condition and after homogenization with a view to evaluate the influence of homogenization. Hot compression data in the temperature range 300-500degreesC and strain rate range 0.001-100 s(-1) were used for generating the processing map. In the map for the as-cast alloy the domain of dynamic recrystallization occurring, at 450degreesC and 0.1 s(-1) has merged with another domain occurring at 500degreesC and 0.001 s(-1) representing grain boundary cracking. The latter domain is eliminated by homogenization and the dynamic recrystallization domain expanded with a higher peak efficiency occurring at 500 degreesC and 0.05 s(-1). The flow localization occurring at strain rates higher than 5 s(-1) is unaffected by homogenization.
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Al-Zn-Mg/SiCP composites processed by a liquid metal processing (stir casting) technique have been microstructurally characterised in the as-cast and extruded conditions. Uniform distribution of SiCP is observed with few defects, such as particle clusters, which are due to partial wetting and associated gas porosity. The constituent particles are associated with SiCP although their composition remains unaffected compared with the control alloy. Hot extrusion of the composite using a shear type die showed banding of particles in the extruded direction with 9 vol.% composite. Such defects however, are not predominant in 18% SiCP extruded composites. The presence Of Mg2Si is detected at the particle matrix interface as well as in the matrix.