885 resultados para QUANTUM THEORY OF ATOMS IN MOLECULES
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A constitutive model, based on an (n + 1)-phase mixture of the Mori-Tanaka average theory, has been developed for stress-induced martensitic transformation and reorientation in single crystalline shape memory alloys. Volume fractions of different martensite lattice correspondence variants are chosen as internal variables to describe microstructural evolution. Macroscopic Gibbs free energy for the phase transformation is derived with thermodynamics principles and the ensemble average method of micro-mechanics. The critical condition and the evolution equation are proposed for both the phase transition and reorientation. This model can also simulate interior hysteresis loops during loading/unloading by switching the critical driving forces when an opposite transition takes place.
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The possibility of lifetime measurement in a flowing medium with phase fluorometry is investigated theoretically. A 3-D time dependent partial differential equation of the number density of atoms (or molecules) in the upper level of the fluorescence transition is solved analytically, taking flow, diffusion, optical excitation, decay, Doppler shift, and thickness of the excitation light sheet into account. An analytical expression of the intensity of the fluorescence signal in the flowing medium is deduced. Conditions are given, in which the principle of lifetime measurement with phase fluorometry in the static sample cell can be used in a flowing medium.
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that the Stokes-interaction relation is reasonable qualitatively but not correct
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A nonlinear theory of an intermediate pressure discharge column in a magnetic field is presented. Motion of the neutral gas is considered. The continuity and momentum transfer equations for charged particles and neutral particles are solved by numerical methods. The main result obtained is that the rotating velocities of ionic gas and neutral gas are approximately equal. Bohm's criterion and potential inversion in the presence of neutral gas motion are also discussed.
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The two-dimensional accelerating theory about solar wind is applied to the study of theaccelerating process of jet beam in the radio galaxy. The flowing features are given with theanalytic method, and the basic flow is along the direction of the jet beam. The mechanism ofacceleration from subsonic to supersonic flow is discussed. At the same time, some fine struc-tures about the double sources in the radio galaxy are explained.
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We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of trans-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the conduction band resonantly excites an electron in the valence band, and vice versa, leading to oscillatory exchange of electronic population between two distinct electronic states that lives for up to tens of picoseconds. The oscillatory structure is reminiscent of beating patterns between quantum states and is strongly suggestive of the presence of long-lived molecular electronic coherence. Significantly, however, a detailed analysis of the electronic coherence properties shows that the oscillatory structure arises from a purely incoherent process. These results were obtained by propagating the coupled dynamics of electronic and vibrational degrees of freedom in a mixed quantum-classical study of the Su-Schrieffer-Heeger Hamiltonian for polyacetylene. The incoherent process is shown to occur between degenerate electronic states with distinct electronic configurations that are indirectly coupled via a third auxiliary state by vibronic interactions. A discussion of how to construct electronic superposition states in molecules that are truly robust to decoherence is also presented
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We present a scheme for simulating relativistic quantum physics in circuit quantum electrodynamics. By using three classical microwave drives, we show that a superconducting qubit strongly coupled to a resonator field mode can be used to simulate the dynamics of the Dirac equation and Klein paradox in all regimes. Using the same setup we also propose the implementation of the Foldy-Wouthuysen canonical transformation, after which the time derivative of the position operator becomes a constant of the motion.
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Some aspects of wave propagation in thin elastic shells are considered. The governing equations are derived by a method which makes their relationship to the exact equations of linear elasticity quite clear. Finite wave propagation speeds are ensured by the inclusion of the appropriate physical effects.
The problem of a constant pressure front moving with constant velocity along a semi-infinite circular cylindrical shell is studied. The behavior of the solution immediately under the leading wave is found, as well as the short time solution behind the characteristic wavefronts. The main long time disturbance is found to travel with the velocity of very long longitudinal waves in a bar and an expression for this part of the solution is given.
When a constant moment is applied to the lip of an open spherical shell, there is an interesting effect due to the focusing of the waves. This phenomenon is studied and an expression is derived for the wavefront behavior for the first passage of the leading wave and its first reflection.
For the two problems mentioned, the method used involves reducing the governing partial differential equations to ordinary differential equations by means of a Laplace transform in time. The information sought is then extracted by doing the appropriate asymptotic expansion with the Laplace variable as parameter.
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Using the technique of stimulated Raman adiabatic passage, we propose schemes for creating arbi- trary coherent superposition states of atoms in four-level systems: a A-type system with twofold final states and a four-level ladder system. With the use of a control field, arbitrary coherent superposition states are created without the condition of multiphoton resonance. Suitable manipulation of detunings and the control field can create either a single state or any superposition states desired. (c) 2005 Pleiades Publishing, Inc.
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We investigate the optical transmission properties of a combined system which consists of two quantum-dot-nanocavity subsystems indirectly coupled to a waveguide in a planar photonic crystal. A Mollow-like triplet and the growth of sidebands are found, reflecting intrinsic optical responses in the complex microstructure.
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We theoretically study the influence of Coulomb potential for photoionization of hydrogen atoms in an intense laser field with elliptical polarization. The total ionization rates, photoelectron energy spectra, and photoelectron angular distributions are calculated with the Coulomb-Volkov wave functions in the velocity gauge and compared with those calculated in the length gauge as well as those calculated with the Volkov wave functions. By comparing the results obtained by the Coulomb-Volkov and Volkov wave functions, we find that for linear polarization the influence of Coulomb potential is obvious for low-energy photoelectrons, and as the photoelectron energy and/or the laser intensity increase, its influence becomes smaller. This trend, however, is not so clear for the case of elliptical polarization. We also find that the twofold symmetry in the photoelectron angular distributions for elliptical polarization is caused by the cooperation of Coulomb potential and interference of multiple transition channels. About the gauge issue, we show that the difference in the photoelectron angular distributions obtained by the velocity and length gauges becomes rather obvious for elliptical polarization, while the difference is generally smaller for linear polarization.