968 resultados para Onsager reaction field approximation
Resumo:
We present an explicit computable integral solution of the electric field generated at the focal region of a cylindrical lens. This representation is based on vectorial diffraction theory and further enables the computation of the system point spread function of a cylindrical lens. It is assumed that there is no back-scattering and the contribution from the evanescent field is negligible. Stationary phase approximation along with the Fresnel transmission coefficients are employed for evaluating the polarization dependent electric field components. Studies were carried out to determine the polarization effects and to calculate the system resolution. The effect of s -, p - and randomly polarized light is studied on the fixed sample (electric dipole is fixed in space). Proposed approach allows better understanding of electric field effects at the focus of a cylindrical aplanatic system. This opens up future developments in the field of fluorescence microscopy and optical imaging. (C) 2013 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
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The average time tau(r) for one end of a long, self-avoiding polymer to interact for the first time with a flat penetrable surface to which it is attached at the other end is shown here to scale essentially as the square of the chain's contour length N. This result is obtained within the framework of the Wilemski-Fixman approximation to diffusion-limited reactions, in which the reaction time is expressed as a time correlation function of a ``sink'' term. In the present work, this sink-sink correlation function is calculated using perturbation expansions in the excluded volume and the polymer-surface interactions, with renormalization group methods being used to resum the expansion into a power law form. The quadratic dependence of tau(r) on N mirrors the behavior of the average time tau(c) of a free random walk to cyclize, but contrasts with the cyclization time of a free self-avoiding walk (SAW), for which tau(r) similar to N-2.2. A simulation study by Cheng and Makarov J. Phys. Chem. B 114, 3321 (2010)] of the chain-end reaction time of an SAW on a flat impenetrable surface leads to the same N-2.2 behavior, which is surprising given the reduced conformational space a tethered polymer has to explore in order to react. (C) 2014 AIP Publishing LLC.
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The GW approximation to the electron self-energy has become a standard method for ab initio calculation of excited-state properties of condensed-matter systems. In many calculations, the G W self-energy operator, E, is taken to be diagonal in the density functional theory (DFT) Kohn-Sham basis within the G0 W0 scheme. However, there are known situations in which this diagonal Go Wo approximation starting from DFT is inadequate. We present two schemes to resolve such problems. The first, which we called sc-COHSEX-PG W, involves construction of an improved mean field using the static limit of GW, known as COHSEX (Coulomb hole and screened exchange), which is significantly simpler to treat than GW W. In this scheme, frequency-dependent self energy E(N), is constructed and taken to be diagonal in the COHSEX orbitals after the system is solved self-consistently within this formalism. The second method is called off diagonal-COHSEX G W (od-COHSEX-PG W). In this method, one does not self-consistently change the mean-field starting point but diagonalizes the COHSEX Hamiltonian within the Kohn-Sham basis to obtain quasiparticle wave functions and uses the resulting orbitals to construct the G W E in the diagonal form. We apply both methods to a molecular system, silane, and to two bulk systems, Si and Ge under pressure. For silane, both methods give good quasiparticle wave functions and energies. Both methods give good band gaps for bulk silicon and maintain good agreement with experiment. Further, the sc-COHSEX-PGW method solves the qualitatively incorrect DFT mean-field starting point (having a band overlap) in bulk Ge under pressure.
Resumo:
The magnetic field in rapidly rotating dynamos is spatially inhomogeneous. The axial variation of the magnetic field is of particular importance because tall columnar vortices aligned with the rotation axis form at the onset of convection. The classical picture of magnetoconvection with constant or axially varying magnetic fields is that the Rayleigh number and wavenumber at onset decrease appreciably from their non-magnetic values. Nonlinear dynamo simulations show that the axial lengthscale of the self-generated azimuthal magnetic field becomes progressively smaller as we move towards a rapidly rotating regime. With a small-scale field, however, the magnetic control of convection is different from that in previous studies with a uniform or large-scale field. This study looks at the competing viscous and magnetic mode instabilities when the Ekman number E (ratio of viscous to Coriolis forces) is small. As the applied magnetic field strength (measured by the Elsasser number Lambda) increases, the critical Rayleigh number for onset of convection initially increases in a viscous branch, reaches an apex where both viscous and magnetic instabilities co-exist, and then falls in the magnetic branch. The magnetic mode of onset is notable for its dramatic suppression of convection in the bulk of the fluid layer where the field is weak. The viscous-magnetic mode transition occurs at Lambda similar to 1, which implies that small-scale convection can exist at field strengths higher than previously thought. In spherical shell dynamos with basal heating, convection near the tangent cylinder is likely to be in the magnetic mode. The wavenumber of convection is only slightly reduced by the self-generated magnetic field at Lambda similar to 1, in agreement with previous planetary dynamo models. The back reaction of the magnetic field on the flow is, however, visible in the difference in kinetic helicity between cyclonic and anticyclonic vortices.
Resumo:
Increasing the field of view of a holographic display while maintaining adequate image size is a difficult task. To address this problem, we designed a system that tessellates several sub-holograms into one large hologram at the output. The sub-holograms we generate is similar to a kinoform but without the paraxial approximation during computation. The sub-holograms are loaded onto a single spatial light modulator consecutively and relayed to the appropriate position at the output through a combination of optics and scanning reconstruction light. We will review the method of computer generated hologram and describe the working principles of our system. Results from our proof-of-concept system are shown to have an improved field of view and reconstructed image size. ©2009 IEEE.
Resumo:
For simulating multi-scale complex flow fields it should be noted that all the physical quantities we are interested in must be simulated well. With limitation of the computer resources it is preferred to use high order accurate difference schemes. Because of their high accuracy and small stencil of grid points computational fluid dynamics (CFD) workers pay more attention to compact schemes recently. For simulating the complex flow fields the treatment of boundary conditions at the far field boundary points and near far field boundary points is very important. According to authors' experience and published results some aspects of boundary condition treatment for far field boundary are presented, and the emphasis is on treatment of boundary conditions for the upwind compact schemes. The consistent treatment of boundary conditions at the near boundary points is also discussed. At the end of the paper are given some numerical examples. The computed results with presented method are satisfactory.
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To resolve the diffraction problems of the pulsed wave field directly in the temporal domain, we extend the Rayleigh diffraction integrals to the temporal domain and then discuss the approximation condition of this diffraction formula. (C) 1997 Optical Society of America.
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By solving numerically the full Maxwell-Bloch equations without the slowly varying envelope approximation and the rotating-wave approximation, we investigate the effects of Lorentz local field correction (LFC) on the propagation properties of few-cycle laser pulse in a dense A-type three-level atomic medium. We find that: when the area of the input pulse is larger, split of pulse occurs and the number of the sub-pulses with LFC is larger than that without LFC; at the same distance, the time interval between the first sub-pulse and the second sub-pulse in the case without LFC is longer than that with LFC, the time of pulse appearing in the case without LFC is later than that in the case with LFC, and the two phenomena are more obvious with propagation distance increasing; time evolution rules of the populations of levels vertical bar 1 >, vertical bar 2 > and vertical bar 3 > in the two cases with and without LFC are much different. When the area of the input pulse is smaller, effects of LFC on time evolutions of the pulse and populations are remarkably smaller than those in the case of larger area pulse. (c) 2008 Elsevier B.V. All rights reserved.
Resumo:
We study the behaviour of atoms in a field with both static magnetic field and radio frequency (rf) magnetic field. We calculate the adiabatic potential of atoms numerically beyond the usually rotating wave approximation, and it is pointed that there is a great difference between using these two methods. We find the preconditions when RWA is valid. In the extreme of static field almost parallel to rf field, we reach an analytic formula. Finally, we apply this method to Rb-87 and propose a guide based on an rf field on atom chip.
Resumo:
We develop a method for performing one-loop calculations in finite systems that is based on using the WKB approximation for the high energy states. This approximation allows us to absorb all the counterterms analytically and thereby avoids the need for extreme numerical precision that was required by previous methods. In addition, the local approximation makes this method well suited for self-consistent calculations. We then discuss the application of relativistic mean field methods to the atomic nucleus. Self-consistent, one loop calculations in the Walecka model are performed and the role of the vacuum in this model is analyzed. This model predicts that vacuum polarization effects are responsible for up to five percent of the local nucleon density. Within this framework the possible role of strangeness degrees of freedom is studied. We find that strangeness polarization can increase the kaon-nucleus scattering cross section by ten percent. By introducing a cutoff into the model, the dependence of the model on short-distance physics, where its validity is doubtful, is calculated. The model is very sensitive to cutoffs around one GeV.
Resumo:
Part I: The mobilities of photo-generated electrons and holes in orthorhombic sulfur are determined by drift mobility techniques. At room temperature electron mobilities between 0.4 cm2/V-sec and 4.8 cm2/V-sec and hole mobilities of about 5.0 cm2/V-sec are reported. The temperature dependence of the electron mobility is attributed to a level of traps whose effective depth is about 0.12 eV. This value is further supported by both the voltage dependence of the space-charge-limited, D.C. photocurrents and the photocurrent versus photon energy measurements.
As the field is increased from 10 kV/cm to 30 kV/cm a second mechanism for electron transport becomes appreciable and eventually dominates. Evidence that this is due to impurity band conduction at an appreciably lower mobility (4.10-4 cm2/V-sec) is presented. No low mobility hole current could be detected. When fields exceeding 30 kV/cm for electron transport and 35 kV/cm for hole transport are applied, avalanche phenomena are observed. The results obtained are consistent with recent energy gap studies in sulfur.
The theory of the transport of photo-generated carriers is modified to include the case of appreciable thermos-regeneration from the traps in one transit time.
Part II: An explicit formula for the electric field E necessary to accelerate an electron to a steady-state velocity v in a polarizable crystal at arbitrary temperature is determined via two methods utilizing Feynman Path Integrals. No approximation is made regarding the magnitude of the velocity or the strength of the field. However, the actual electron-lattice Coulombic interaction is approximated by a distribution of harmonic oscillator potentials. One may be able to find the “best possible” distribution of oscillators using a variational principle, but we have not been able to find the expected criterion. However, our result is relatively insensitive to the actual distribution of oscillators used, and our E-v relationship exhibits the physical behavior expected for the polaron. Threshold fields for ejecting the electron for the polaron state are calculated for several substances using numerical results for a simple oscillator distribution.
Resumo:
Three different categories of flow problems of a fluid containing small particles are being considered here. They are: (i) a fluid containing small, non-reacting particles (Parts I and II); (ii) a fluid containing reacting particles (Parts III and IV); and (iii) a fluid containing particles of two distinct sizes with collisions between two groups of particles (Part V).
Part I
A numerical solution is obtained for a fluid containing small particles flowing over an infinite disc rotating at a constant angular velocity. It is a boundary layer type flow, and the boundary layer thickness for the mixture is estimated. For large Reynolds number, the solution suggests the boundary layer approximation of a fluid-particle mixture by assuming W = Wp. The error introduced is consistent with the Prandtl’s boundary layer approximation. Outside the boundary layer, the flow field has to satisfy the “inviscid equation” in which the viscous stress terms are absent while the drag force between the particle cloud and the fluid is still important. Increase of particle concentration reduces the boundary layer thickness and the amount of mixture being transported outwardly is reduced. A new parameter, β = 1/Ω τv, is introduced which is also proportional to μ. The secondary flow of the particle cloud depends very much on β. For small values of β, the particle cloud velocity attains its maximum value on the surface of the disc, and for infinitely large values of β, both the radial and axial particle velocity components vanish on the surface of the disc.
Part II
The “inviscid” equation for a gas-particle mixture is linearized to describe the flow over a wavy wall. Corresponding to the Prandtl-Glauert equation for pure gas, a fourth order partial differential equation in terms of the velocity potential ϕ is obtained for the mixture. The solution is obtained for the flow over a periodic wavy wall. For equilibrium flows where λv and λT approach zero and frozen flows in which λv and λT become infinitely large, the flow problem is basically similar to that obtained by Ackeret for a pure gas. For finite values of λv and λT, all quantities except v are not in phase with the wavy wall. Thus the drag coefficient CD is present even in the subsonic case, and similarly, all quantities decay exponentially for supersonic flows. The phase shift and the attenuation factor increase for increasing particle concentration.
Part III
Using the boundary layer approximation, the initial development of the combustion zone between the laminar mixing of two parallel streams of oxidizing agent and small, solid, combustible particles suspended in an inert gas is investigated. For the special case when the two streams are moving at the same speed, a Green’s function exists for the differential equations describing first order gas temperature and oxidizer concentration. Solutions in terms of error functions and exponential integrals are obtained. Reactions occur within a relatively thin region of the order of λD. Thus, it seems advantageous in the general study of two-dimensional laminar flame problems to introduce a chemical boundary layer of thickness λD within which reactions take place. Outside this chemical boundary layer, the flow field corresponds to the ordinary fluid dynamics without chemical reaction.
Part IV
The shock wave structure in a condensing medium of small liquid droplets suspended in a homogeneous gas-vapor mixture consists of the conventional compressive wave followed by a relaxation region in which the particle cloud and gas mixture attain momentum and thermal equilibrium. Immediately following the compressive wave, the partial pressure corresponding to the vapor concentration in the gas mixture is higher than the vapor pressure of the liquid droplets and condensation sets in. Farther downstream of the shock, evaporation appears when the particle temperature is raised by the hot surrounding gas mixture. The thickness of the condensation region depends very much on the latent heat. For relatively high latent heat, the condensation zone is small compared with ɅD.
For solid particles suspended initially in an inert gas, the relaxation zone immediately following the compression wave consists of a region where the particle temperature is first being raised to its melting point. When the particles are totally melted as the particle temperature is further increased, evaporation of the particles also plays a role.
The equilibrium condition downstream of the shock can be calculated and is independent of the model of the particle-gas mixture interaction.
Part V
For a gas containing particles of two distinct sizes and satisfying certain conditions, momentum transfer due to collisions between the two groups of particles can be taken into consideration using the classical elastic spherical ball model. Both in the relatively simple problem of normal shock wave and the perturbation solutions for the nozzle flow, the transfer of momentum due to collisions which decreases the velocity difference between the two groups of particles is clearly demonstrated. The difference in temperature as compared with the collisionless case is quite negligible.
Resumo:
A relatively simple transform from an arbitrary solution of the paraxial wave equation to the corresponding exact solution of the Helmholtz wave equation is derived in the condition that the evanescent waves are ignored and is used to study the corrections to the paraxial approximation of an arbitrary free-propagation beam. Specifically, the general lowest-order correction field is given in a very simple form and is proved to be exactly consistent with the perturbation method developed by Lax et nl. [Phys. Rev. A 11, 1365 (1975)]. Some special examples, such as the lowest-order correction to the paraxial approximation of a fundamental Gaussian beam whose waist plane has a parallel shin from the z = 0 plane, are presented. (C) 1998 Optical Society of America.
Resumo:
The coupled differential recurrence equations for the corrections to the paraxial approximation solutions in transversely nonuniform refractive-index media are established in terms of the perturbation method. All the corrections (including the longitudinal field corrections) to the paraxial approximation solutions are presented in the weak-guidance approximation. As a concrete application, the first-order longitudinal field correction and the second-order transverse field correction to the paraxial approximation of a Gaussian beam propagating in a transversely quadratic refractive index medium are analytically investigated. (C) 1999 Optical Society of America [S0740-3232(99)00310-5].
Resumo:
The threshold body voltage (voltage gradient between head and tail) required for first reaction, electro-taxis and electro-narcosis depended upon species, conductivity of the fish body, nature of current and wave shape. Larger fishes showed first reaction at a lower body voltage than smaller ones. All the three reactions were dependent on the accommodation of nerves to the electrical field and subsequent fatigue of the fishes. No significant change was observed in the period of narcosis and recovery after repeated stimulation.