997 resultados para ATOMIZATION ENERGIES
Resumo:
The breakdown of the Stokes-Einstein (SE) relation between diffusivity and viscosity at low temperatures is considered to be one of the hallmarks of glassy dynamics in liquids. Theoretical analyses relate this breakdown with the presence of heterogeneous dynamics, and by extension, with the fragility of glass formers. We perform an investigation of the breakdown of the SE relation in 2, 3, and 4 dimensions in order to understand these interrelations. Results from simulations of model glass formers show that the degree of the breakdown of the SE relation decreases with increasing spatial dimensionality. The breakdown itself can be rationalized via the difference between the activation free energies for diffusivity and viscosity (or relaxation times) in the Adam-Gibbs relation in three and four dimensions. The behavior in two dimensions also can be understood in terms of a generalized Adam-Gibbs relation that is observed in previous work. We calculate various measures of heterogeneity of dynamics and find that the degree of the SE breakdown and measures of heterogeneity of dynamics are generally well correlated but with some exceptions. The two-dimensional systems we study show deviations from the pattern of behavior of the three-and four-dimensional systems both at high and low temperatures. The fragility of the studied liquids is found to increase with spatial dimensionality, contrary to the expectation based on the association of fragility with heterogeneous dynamics.
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Experiments are conducted in the W-Si system to understand the diffusion mechanism of the species. The activation energies from integrated diffusion coefficients are calculated as 152 +/- 7 and 301 +/- 40 kJ/mol in the WSi2 and W5Si3 phases, respectively. In both the phases, Si has a much higher diffusion rate compared to W. This is not surprising to find in the WSi2 phase, if we consider the number of nearest neighbors for both the elements in the crystal. The diffusion of W in this phase indicates the presence of W antisites. The faster diffusion rate of Si in the W5Si3 phase indicates the presence of higher concentration of vacancies on the Si sublattice compared to W sublattice.
Resumo:
Various forms of carbon, especially the nanocarbons, have received considerable attention in recent years. There has also been some effort to investigate borocarbonitrides, BxCyNz, comprising besides carbon, the two elements on either side. Although uniformly homogeneous compositions of borocarbonitrides may be difficult to generate, there have been attempts to prepare them by solid state as well as gas phase reactions. Some of the products so obtained show evidence for the presence of BCN networks. Then, there are composites (G-BN) containing hexagonal BN (h-BN) and graphene (G) domains, G(1-x)(BN)(x), in varying proportions. Nanotubes of BxCyNz have been reported by several workers. The borocarbonitrides exhibit some interesting electronic and gas adsorption properties. Thus, some of the preparations show selective CO2 adsorption. They also exhibit excellent characteristics for supercapacitor applications. In order to understand the nature of these understudied materials, it is necessary to examine the results from first-principles calculations. These calculations throw light on the variation in the band gap of G-BN with the concentration of h-BN, for different geometries of the domains and their boundaries. The possibility of formation of Stone-Wales (SW) defects at the interfaces of graphene and h-BN has been studied and the estimates of the formation energies of SW defects at the interfaces are similar to 4 to 6 eV. The presence of such defects at the interfaces influences the electronic structure near the band gap and the associated properties. For example, adsorption of CH4 and CO2 occurs with significantly stronger binding at the interfacial defects.
Resumo:
Ion conducting glasses in xLiCl-20Li(2)O-(80-x) 0.80P(2)O(5)-0.20MoO(3)] glass system have been prepared over a wide range of composition (X = 5, 10, 15, 20 and 25 mol%). The electrical conductivity and dielectric relaxation of these glasses were analyzed using impedance spectroscopy in the frequency range of 10 Hz-10 MHz and in the temperature range of 313-353 K. D.c. activation energies extracted from Arrhenius plots using regression analysis, decreases with increasing LiCl mol%. A.c. conductivity data has been fitted to both single and double power law equation with both fixed and variable parameters. The increased conductivity in the present glass system has been correlated with the volume increasing effect and the coordination changes that occur due to structural modification resulting in the creation of non-bridging oxygens (NBO's) of the type O-Mo-O- bonds in the glass network. Dielectric relaxation mechanism in these glasses is analyzed using Kohlrausch-Williams-Watts (KWW) stretched exponential function and stretched exponent (beta) is found to be insensitive to temperature.
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The feasibility of using transition metal fragments to stabilize B2H4 in planar configuration by donating 2 electrons to the boron moiety is investigated. Building upon the existing theoretical and experimental data and aided by the isolobal analogy, the model transition metal complexes Cr(CO)(4)B2H4 (6), Mn(CO)-CpB2H4 (7), Fe(CO)(3)B2H4 (8) and CoCpB2H4 (9) are chosen to illustrate this unique bonding feature bond strengthening with pi-back donation. Other possible types of complexes with B2H4 and the metal fragment are also explored and the energies are compared. One of the low energy isomers wherein the planar B2H4 interacts with the metal fragment in an in-plane fashion represents a unique case study for the Dewar-Chatt-Duncanson model. In this complex the back-donation from the metal fills the p bonding orbital between the two boron atoms thus forming a B=B double bond.
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We extend our analysis of transverse single spin asymmetry in electroproduction of J/psi to include the effect of the scale evolution of the transverse momentum dependent (TMD) parton distribution functions and gluon Sivers function. We estimate single spin asymmetry for JLab, HERMES, COMPASS, and eRHIC energies using the color evaporation model of charmonium production, using an analytically obtained approximate solution of TMD evolution equations discussed in the literature. We find that there is a reduction in the asymmetry compared with our predictions for the earlier case considered by us, wherein the Q(2) dependence came only from DGLAP evolution of the unpolarized gluon densities and a different parametrization of the TMD Sivers function was used.
Resumo:
A one-dimensional coupled multi-physics based model has been developed to accurately compute the effects of electrostatic, mechanical, and thermal field interactions on the electronic energy band structure in group III-nitrides thin film heterostructures. Earlier models reported in published literature assumes electro-mechanical field with uniform temperature thus neglecting self-heating. Also, the effects of diffused interface on the energy band structure were not studied. We include these effects in a self-consistent manner wherein the transport equation is introduced along with the electro-mechanical models, and the lattice structural variation as observed in experiments are introduced at the interface. Due to these effects, the electrostatic potential distribution in the heterostructure is altered. The electron and hole ground state energies decrease by 5% and 9%, respectively, at a relative temperature of 700 K, when compared with the results obtained from the previously reported electro-mechanical model assuming constant and uniform temperature distribution. A diffused interface decreases the ground state energy of electrons and holes by about 11% and 9%, respectively, at a relative temperature of 700 K when compared with the predictions based on uniform temperature based electro-mechanical model. (C) 2013 AIP Publishing LLC.
Resumo:
A droplet residing on a vibrating surface and in the pressure antinode of an asymmetric standing wave can spread radially outward and atomize. In this work, proper orthogonal decomposition through high speed imaging is shown to predict the likelihood of atomization for various viscous fluids based on prior information in the droplet spreading phase. Capillary instabilities are seen to affect ligament rupture. Viscous dissipation plays an important role in determining the wavelength of the most unstable mode during the inception phase of the ligaments. However, the highest ligament capillary number achieved was less than 1, and the influence of viscosity in the ligament growth and breakup phases is quite minimal. It is inferred from the data that the growth of a typical ligament is governed by a balance between the inertial force obtained from the inception phase and capillary forces. By including the effect of acoustic pressure field around the droplet, the dynamics of the ligament growth phase is revealed and the ligament growth profiles for different fluids are shown to collapse on a straight line using a new characteristic time scale.
Resumo:
Recent data from high-statistics experiments that have measured the modulus of the pion electromagnetic form factor from threshold to relatively high energies are used as input in a suitable mathematical framework of analytic continuation to find stringent constraints on the shape parameters of the form factor at t = 0. The method uses also as input a precise description of the phase of the form factor in the elastic region based on Fermi-Watson theorem and the analysis of the pi pi scattering amplitude with dispersive Roy equations, and some information on the spacelike region coming from recent high precision experiments. Our analysis confirms the inconsistencies of several data on the modulus, especially from low energies, with analyticity and the input phase, noted in our earlier work. Using the data on the modulus from energies above 0.65 GeV, we obtain, with no specific parametrisation, the prediction < r(pi)(2)> is an element of (0.42, 0.44) fm(2) for the charge radius. The same formalism leads also to very narrow allowed ranges for the higher-order shape parameters at t = 0, with a strong correlation among them.
Resumo:
In this work, we synthesized bulk amorphous GeGaS glass by conventional melt quenching technique. Amorphous nature of the glass is confirmed using X-ray diffraction. We fabricated the channel waveguides on this glass using the ultrafast laser inscription technique. The waveguides are written on this glass 100 mu m below the surface of the glass with a separation of 50 ae m by focusing the laser beam into the material using 0.67 NA lens. The laser parameters are set to 350 fs pulse duration at 100 KHz repetition rate. A range of writing energies with translation speeds 1 mm/s, 2 mm/s, 3 mm/s and 4 mm/s were investigated. After fabrication the waveguides facets were ground and polished to the optical quality to remove any tapering of the waveguide close to the edges. We characterized the loss measurement by butt coupling method and the mode field image of the waveguides has been captured to compare with the mode field image of fibers. Also we compared the asymmetry in the shape of the waveguide and its photo structural change using Raman spectra.
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While the recent discovery of a Higgs-like boson at the LHC is an extremely important and encouraging step towards the discovery of the complete Standard Model (SM), the current information on this state does not rule out possibility of beyond standard model (BSM) physics. In fact the current data can still accommodate reasonably large values of the branching fractions of the Higgs into a channel with `invisible' decay products, such a channel being also well motivated theoretically. In this study we revisit the possibility of detecting the Higgs in this invisible channel for both choices of the LHC energies, 8 and 14 TeV, for two production modes; vector boson fusion (VBF) and associated production (ZH). We perform a comprehensive collider analysis for all the above channels and project the reach of LHC to constrain the invisible decay branching fraction for both 8 and 14 TeV energies. For the ZH case we consider decays of the Z boson into a pair of leptons as well as a b (b) over bar pair. For the VBF channel the sensitivity is found to be more than 5 sigma for both the energies up to an invisible branching ratio (Br-inv) similar to 0.80, with luminosities similar to 20/30 fb(-1). The sensitivity is further extended to values of Br-inv similar to 0.25 for 300 fb(-1) at 14 TeV. However the reach is found to be more modest for the ZH mode with leptonic final state; with about 3.5 sigma for the planned luminosity at 8 TeV, reaching 8 sigma only for 14 TeV for 50 fb(-1). In spite of the much larger branching ratio (BR) of the Z into a b (b) over bar channel compared to the dilepton case, the former channel, can provide useful reach up to Br-inv greater than or similar to 0.75, only for the higher luminosity (300 fb(-1)) option using both jet-substructure and jet clustering methods. (C) 2013 Elsevier B.V. All rights reserved.
Resumo:
We study the production of the lightest neutralinos in the process e(+)e(-) -> chi(0)(1)chi(0)(1)gamma in supersymmetric grand unified models for the International Linear Collider energies with longitudinally polarized beams. We consider cases where the standard model gauge group is unified into the grand unified gauge groups SU(5), or SO(10). We have carried out a comprehensive study of this process in the SU(5) and SO(10) grand unified theories which includes the QED radiative corrections. We compare and contrast the dependence of the signal cross section on the grand unified gauge group, and on the different representations of the grand unified gauge group, when the electron and positron beams are longitudinally polarized. To assess the feasibility of experimentally observing the radiative production process, we have also considered in detail the background to this process coming from the radiative neutrino production process e(+)e(-)-> nu(nu) over bar gamma with longitudinally polarized electron and positron beams. In addition we have also considered the supersymmetric background coming from the radiative production of scalar neutrinos in the process e(+)e(-) -> (nu) over tilde(nu) over tilde*gamma with longitudinally polarized beams. The process can be a major background to the radiative production of neutralinos when the scalar neutrinos decay invisibly.
Resumo:
This paper deals with an experimental study of pressure-swirl hydraulic injector nozzles using non-intrusive optical techniques. Experiments were conducted to study atomization characteristics using two nozzles with different orifice diameters, 0.3 mm and 0.5 mm, and injection pressures, 0.3-3.5 Mpa, which correspond to Reynolds number (Re-p) = 7,000-45,000, depending on nozzle utilized. Three laser diagnostic techniques were utilized: Shadowgraph, PIV (Particle Image Velocimetry), and PDPA (Phase Doppler Particle Anemometry). Measurements made in the spray in both axial and radial directions indicate that velocity, average droplet diameter profiles, and spray dynamics are highly dependent on the nozzle characteristics and injection pressure. Limitations of these techniques in the different flow regimes, related to the primary and secondary breakups as well as coalescence, are provided. Results indicate that all three techniques provide similar results throughout the different regimes. Shadowgraph and PDPA were possible in the secondary atomization and coalescence regimes while PIV measurements could be made only at the end of secondary atomization and coalescence.
Resumo:
We present optical studies of both singlet and triplet states of a ladder-type conjugated polymer as a function of hydrostatic pressure. The pressure coefficient of the triplet-triplet absorption is smaller compared to the pressure coefficient of the singlet excitation, highlighting the more localized nature of triplet excitons. The photoluminescence and phosphorescence energies red-shift at similar rates with increasing pressure, thus giving experimental evidence for the first time that the singlet-triplet splitting remains almost a constant under high pressure until 4GPa. The diffusion length of the triplet excitons decreases to a few hundred nm at high pressures, as compared with a few micrometers at atmospheric pressure. Copyright (C) EPLA, 2013
Resumo:
In the system La-Cr-O, there are three ternary oxides (LaCrO4, La2Cr3O12, and La2CrO6) that contain Cr in higher valence states (V or VI). On heating, LaCrO4 decomposes to LaCrO3, La2Cr3O12 to a mixture of LaCrO4 and Cr2O3, and La2CrO6 to LaCrO3 and La2O3 with loss of oxygen. The oxygen potentials corresponding to these decomposition reactions are determined as a function of temperature using solid-state cells incorporating yttria-stabilized zirconia as the electrolyte. Measurements are made from 840K to the decomposition temperature of the ternary oxides in pure oxygen. The standard Gibbs energies of formation of the three ternary oxides are derived from the reversible electromotive force (EMF) of the three cells. The standard enthalpy of formation and standard entropy of the three ternary oxides at 298.15K are estimated. Subsolidus phase relations in the system La-Cr-O are computed from thermodynamic data and displayed as isothermal sections at several temperature intervals. The decomposition temperatures in air are 880 (+/- 3)K for La2Cr3O12, 936 (+/- 3)K for LaCrO4, and 1056 (+/- 4)K for La2CrO6.