998 resultados para phase perturbation
Resumo:
The propagation expression of a broadband laser passing through a dispersive wedge is derived on the basis of the Huygens-Fresnel diffraction integral, Smoothing effects caused by the phase perturbation of the dispersive wedge on the intensity profiles are investigated in detail. The phase perturbation of the dispersive wedge induces a relative transverse position shift between the diffraction patterns of different frequency components. The relative transverse position shift is of great benefit to the fill of the intensity peaks of some patterns in the valleys of others when these patterns are overlapped and thus the smoothing effect is achieved. (c) 2006 Elsevier B.V. All rights reserved.
Resumo:
The kinetics of the reactions of the atoms O(P-3), S(P-3), Se(P-3), and Te((3)p) with a series of alkenes are examined for correlations relating the logarithms of the rate coefficients to the energies of the highest occupied molecular orbitals (HOMOs) of the alkenes. These correlations may be employed to predict rate coefficients from the calculated HOMO energy of any other alkene of interest. The rate coefficients obtained from the correlations were used to formulate structure-activity relations (SARs) for reactions of O((3)p), S(P-3), Se (P-3), and Te((3)p) with alkenes. A comparison of the values predicted by both the correlations and the SARs with experimental data where they exist allowed us to assess the reliability of our method. We demonstrate the applicability of perturbation frontier molecular orbital theory to gas-phase reactions of these atoms with alkenes. The correlations are apparently not applicable to reactions of C(P-3), Si(P-3), N(S-4), and Al(P-2) atoms with alkenes, a conclusion that could be explained in terms of a different mechanism for reaction of these atoms.
Resumo:
The Taylor coefficients c and d of the EM form factor of the pion are constrained using analyticity, knowledge of the phase of the form factor in the time-like region, 4m(pi)(2) <= t <= t(in) and its value at one space-like point, using as input the (g - 2) of the muon. This is achieved using the technique of Lagrange multipliers, which gives a transparent expression for the corresponding bounds. We present a detailed study of the sensitivity of the bounds to the choice of time-like phase and errors present in the space-like data, taken from recent experiments. We find that our results constrain c stringently. We compare our results with those in the literature and find agreement with the chiral perturbation-theory results for c. We obtain d similar to O(10) GeV-6 when c is set to the chiral perturbation-theory values.
Resumo:
When a premixed flame is placed within a duct, acoustic waves induce velocity perturbations at the flame's base. These travel down the flame, distorting its surface and modulating its heat release. This can induce self-sustained thermoacoustic oscillations. Although the phase speed of these perturbations is often assumed to equal the mean flow speed, experiments conducted in other studies and Direct Numerical Simulation (DNS) conducted in this study show that it varies with the acoustic frequency. In this paper, we examine how these variations affect the nonlinear thermoacoustic behaviour. We model the heat release with a nonlinear kinematic G-equation, in which the velocity perturbation is modelled on DNS results. The acoustics are governed by linearised momentum and energy equations. We calculate the flame describing function (FDF) using harmonic forcing at several frequencies and amplitudes. Then we calculate thermoacoustic limit cycles and explain their existence and stability by examining the amplitude-dependence of the gain and phase of the FDF. We find that, when the phase speed equals the mean flow speed, the system has only one stable state. When the phase speed does not equal the mean flow speed, however, the system supports multiple limit cycles because the phase of the FDF changes significantly with oscillation amplitude. This shows that the phase speed of velocity perturbations has a strong influence on the nonlinear thermoacoustic behaviour of ducted premixed flames. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
Resumo:
We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a trap potential. Since the theory is formulated self-consistently, the numerical implementation relies on a massively parallel evaluation of the self-energy and the Green's function at each lattice site, employing thousands of CPUs. While the computation of the self-energy is straightforward to parallelize, the evaluation of the Green's function requires the inversion of a large sparse 10(d) x 10(d) matrix, with d > 6. As a crucial ingredient, our solution heavily relies on the smallness of the hopping as compared to the interaction strength and yields a widely scalable realization of a rapidly converging iterative algorithm which evaluates all elements of the Green's function. Results are validated by comparing with the homogeneous case via the local-density approximation. These calculations also show that the local-density approximation is valid in nonequilibrium setups without mass transport.
Resumo:
We study the phase diagram of the ionic Hubbard model (IHM) at half filling on a Bethe lattice of infinite connectivity using dynamical mean-field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered ionic potential Delta and the on-site Hubbard U. We find that for a finite Delta and at zero temperature, long-range antiferromagnetic (AFM) order sets in beyond a threshold U = U-AF via a first-order phase transition. For U smaller than U-AF the system is a correlated band insulator. Both methods show a clear evidence for a quantum transition to a half-metal (HM) phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U. We show that the results obtained within both methods have good qualitative and quantitative consistency in the intermediate-to-strong-coupling regime at zero temperature as well as at finite temperature. On increasing the temperature, the AFM order is lost via a first-order phase transition at a transition temperature T-AF(U,Delta) or, equivalently, on decreasing U below U-AF(T,Delta)], within both methods, for weak to intermediate values of U/t. In the strongly correlated regime, where the effective low-energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. At a finite temperature T, DMFT + CTQMC shows a second phase transition (not seen within DMFT + IPT) on increasing U beyond U-AF. At U-N > U-AF, when the Neel temperature T-N for the effective Heisenberg model becomes lower than T, the AFM order is lost via a second-order transition. For U >> Delta, T-N similar to t(2)/U(1 - x(2)), where x = 2 Delta/U and thus T-N increases with increase in Delta/U. In the three-dimensional parameter space of (U/t, T/t, and Delta/t), as T increases, the surface of first-order transition at U-AF(T,Delta) and that of the second-order transition at U-N(T,Delta) approach each other, shrinking the range over which the AFM order is stable. There is a line of tricritical points that separates the surfaces of first- and second-order phase transitions.
Resumo:
The reported values of bandgap of rutile GeO2 calculated by the standard density functional theory within local-density approximation (LDA)/generalized gradient approximation (GGA) show a wide variation (similar to 2 eV), whose origin remains unresolved. Here, we investigate the reasons for this variation by studying the electronic structure of rutile-GeO2 using many-body perturbation theory within the GW framework. The bandgap as well as valence bandwidth at Gamma-point of rutile phase shows a strong dependence on volume change, which is independent of bandgap underestimation problem of LDA/GGA. This strong dependence originates from a change in hybridization among O-p and Ge-(s and p) orbitals. Furthermore, the parabolic nature of first conduction band along X-Gamma-M direction changes towards a linear dispersion with volume expansion. (C) 2015 AIP Publishing LLC.
Resumo:
Electronically nonadiabatic decomposition pathways of guanidium triazolate are explored theoretically. Nonadiabatically coupled potential energy surfaces are explored at the complete active space self-consistent field (CASSCF) level of theory. For better estimation of energies complete active space second order perturbation theories (CASPT2 and CASMP2) are also employed. Density functional theory (DFT) with B3LYP functional and MP2 level of theory are used to explore subsequent ground state decomposition pathways. In comparison with all possible stable decomposition products (such as, N-2, NH3, HNC, HCN, NH2CN and CH3NC), only NH3 (with NH2CN) and N-2 are predicted to be energetically most accessible initial decomposition products. Furthermore, different conical intersections between the S-1 and S-0 surfaces, which are computed at the CASSCF(14,10)/6-31G(d) level of theory, are found to play an essential role in the excited state deactivation process of guanidium triazolate. This is the first report on the electronically nonadiabatic decomposition mechanisms of isolated guanidium triazolate salt. (C) 2015 Elsevier B.V. All rights reserved.
Resumo:
This thesis describes the theoretical solution and experimental verification of phase conjugation via nondegenerate four-wave mixing in resonant media. The theoretical work models the resonant medium as a two-level atomic system with the lower state of the system being the ground state of the atom. Working initially with an ensemble of stationary atoms, the density matrix equations are solved by third-order perturbation theory in the presence of the four applied electro-magnetic fields which are assumed to be nearly resonant with the atomic transition. Two of the applied fields are assumed to be non-depleted counterpropagating pump waves while the third wave is an incident signal wave. The fourth wave is the phase conjugate wave which is generated by the interaction of the three previous waves with the nonlinear medium. The solution of the density matrix equations gives the local polarization of the atom. The polarization is used in Maxwell's equations as a source term to solve for the propagation and generation of the signal wave and phase conjugate wave through the nonlinear medium. Studying the dependence of the phase conjugate signal on the various parameters such as frequency, we show how an ultrahigh-Q isotropically sensitive optical filter can be constructed using the phase conjugation process.
In many cases the pump waves may saturate the resonant medium so we also present another solution to the density matrix equations which is correct to all orders in the amplitude of the pump waves since the third-order solution is correct only to first-order in each of the field amplitudes. In the saturated regime, we predict several new phenomena associated with degenerate four-wave mixing and also describe the ac Stark effect and how it modifies the frequency response of the filtering process. We also show how a narrow bandwidth optical filter with an efficiency greater than unity can be constructed.
In many atomic systems the atoms are moving at significant velocities such that the Doppler linewidth of the system is larger than the homogeneous linewidth. The latter linewidth dominates the response of the ensemble of stationary atoms. To better understand this case the density matrix equations are solved to third-order by perturbation theory for an atom of velocity v. The solution for the polarization is then integrated over the velocity distribution of the macroscopic system which is assumed to be a gaussian distribution of velocities since that is an excellent model of many real systems. Using the Doppler broadened system, we explain how a tunable optical filter can be constructed whose bandwidth is limited by the homogeneous linewidth of the atom while the tuning range of the filter extends over the entire Doppler profile.
Since it is a resonant system, sodium vapor is used as the nonlinear medium in our experiments. The relevant properties of sodium are discussed in great detail. In particular, the wavefunctions of the 3S and 3P states are analyzed and a discussion of how the 3S-3P transition models a two-level system is given.
Using sodium as the nonlinear medium we demonstrate an ultrahigh-Q optical filter using phase conjugation via nondegenerate four-wave mixing as the filtering process. The filter has a FWHM bandwidth of 41 MHz and a maximum efficiency of 4 x 10-3. However, our theoretical work and other experimental work with sodium suggest that an efficient filter with both gain and a narrower bandwidth should be quite feasible.
Resumo:
Part I:
The perturbation technique developed by Rannie and Marble is used to study the effect of droplet solidification upon two-phase flow in a rocket nozzle. It is shown that under certain conditions an equilibrium flow exists, where the gas and particle phases have the same velocity and temperature at each section of the nozzle. The flow is divided into three regions: the first region, where the particles are all in the form of liquid droplets; a second region, over which the droplets solidify at constant freezing temperature; and a third region, where the particles are all solid. By a perturbation about the equilibrium flow, a solution is obtained for small particle slip velocities using the Stokes drag law and the corresponding approximation for heat transfer between the particle and gas phases. Singular perturbation procedure is required to handle the problem at points where solidification first starts and where it is complete. The effects of solidification are noticeable.
Part II:
When a liquid surface, in contact with only its pure vapor, is not in the thermodynamic equilibrium with it, a net condensation or evaporation of fluid occurs. This phenomenon is studied from a kinetic theory viewpoint by means of moment method developed by Lees. The evaporation-condensation rate is calculated for a spherical droplet and for a liquid sheet, when the temperatures and pressures are not too far removed from their equilibrium values. The solutions are valid for the whole range of Knudsen numbers from the free molecule to the continuum limit. In the continuum limit, the mass flux rate is proportional to the pressure difference alone.
Resumo:
When a premixed flame is placed within a duct, acoustic waves induce velocity perturbations at the flame's base. These travel down the flame, distorting its surface and modulating its heat release. This can induce self-sustained thermoacoustic oscillations. Although the phase speed of these perturbations is often assumed to equal the mean flow speed, experiments conducted in other studies and Direct Numerical Simulation (DNS) conducted in this study show that it varies with the acoustic frequency. In this paper, we examine how these variations affect the nonlinear thermoacoustic behaviour. We model the heat release with a nonlinear kinematic G-equation, in which the velocity perturbation is modelled on DNS results. The acoustics are governed by linearised momentum and energy equations. We calculate the flame describing function (FDF) using harmonic forcing at several frequencies and amplitudes. Then we calculate thermoacoustic limit cycles and explain their existence and stability by examining the amplitude-dependence of the gain and phase of the FDF. We find that, when the phase speed equals the mean flow speed, the system has only one stable state. When the phase speed does not equal the mean flow speed, however, the system supports multiple limit cycles because the phase of the FDF changes significantly with oscillation amplitude. This shows that the phase speed of velocity perturbations has a strong influence on the nonlinear thermoacoustic behaviour of ducted premixed flames. © 2013 The Combustion Institute.
Resumo:
Understanding combustion instabilities requires accurate measurements of the acoustic velocity perturbation into injectors. This is often accomplished via the use of the two microphone technique, as this only requires two pressure transducers. However, measurements of the actual velocities emerging from the injectors are not often taken, leaving questions regarding the assumptions about the acoustic velocity. A comparison of velocity measured at downstream of the injector with that of two-microphone technique can show the accuracy and limitations of two-microphone technique. In this paper, velocity measurements are taken using both particle image velocimetry (PIV) and the two-microphone technique in a high pressure facility designed for aeroengine injector measurements. The flow is excited using an area modulation device installed on the choked end of the combustion chamber, with PIV measurements enabled by optical access downstream of the injector through a quartz tube and windows. Acoustic velocity perturbations at the injector are determined by considering the Fourier transformed pressure fluctuations for two microphones installed at a known distance upstream of the injector. PIV measurements are realized by seeding the air flow with micrometric water particles under 2.5 bar pressure at ambient temperature. Phase locked velocity fields are realized by synchronizing the acquisition of PIV images with the revolution of the acoustic modulator using the pressure signal measured at the face of injector. The mean velocity fluctuation is calculated as the difference between maximum and minimum velocities, normalized by the mean velocity of the unforced case. Those values are compared with the peak-to-peak velocity fluctuation amplitude calculated by the two-microphone technique. Although the ranges of velocity fluctuations for both techniques are similar, the variation of fluctuation with forcing frequencies diverges significantly with frequency. The differences can be attributed to several limitations associated with of both techniques, such as the quality of the signal, the signal/noise ratio, the accuracy of PIV measurements and the assumption of isentropic flow of the particle velocity from the plenum through the injector. We conclude that two-microphone methods can be used as a reference value for the velocity fluctuation in low order applications such as flame transfer functions, but not for drawing conclusions regarding the absolute velocity fluctuations in the injector. Copyright © 2013 by ASME.
Resumo:
The phase behavior of a model system of colloidal platelets and nonadsorbing polymers is studied using computer simulations and perturbation theory. The equation of state for the pure platelet reference system is obtained by Monte Carlo simulations, and the free volume fraction accessible to polymers is measured by a trial insertion method. The free volume fraction is also calculated using scaled particle theory. Subsequently, the phase diagram for platelet-polymer mixtures is calculated. For a platelet aspect ratio L/D=0.1 and a polymer to platelet size ratio d/D>0.2, we observe coexistence between two isotropic phases with different densities. For smaller polymers d/D
Resumo:
Theoretically the Kohn-Sham band gap differs from the exact quasiparticle energy gap by the derivative discontinuity of the exchange-correlation functional. In practice for semiconductors and insulators the band gap calculated within any local or semilocal density approximations underestimates severely the experimental energy gap. On the other hand, calculations with an "exact" exchange potential derived from many-body perturbation theory via the optimized effective potential suggest that improving the exchange-correlation potential approximation can yield a reasonable agreement between the Kohn-Sham band gap and the experimental gap. The results in this work show that this is not the case. In fact, we add to the exact exchange the correlation that corresponds to the dynamical (random phase approximation) screening in the GW approximation. This accurate exchange-correlation potential provides band structures similar to the local density approximation with the corresponding derivative discontinuity that contributes 30%-50% to the energy gap. Our self-consistent results confirm substantially the results for Si and other semiconductors obtained perturbatively [R. W. Godby , Phys. Rev. B 36, 6497 (1987)] and extend the conclusion to LiF and Ar, a wide-gap insulator and a noble-gas solid. (c) 2006 American Institute of Physics.
Resumo:
By introducing a periodic perturbation in the control parameter of the logistic map we have investigated the period locking properties of the map. The map then gets locked onto the periodicity of the perturbation for a wide range of values of the parameter and hence can lead to a control of the chaotic regime. This parametrically perturbed map exhibits many other interesting features like the presence of bubble structures, repeated reappearance of periodic cycles beyond the chaotic regime, dependence of the escape parameter on the seed value and also on the initial phase of the perturbation etc.