Quasi-momentum

The field equations given in Lagrangian form are (a) the conservation of momentum (quasi-static, no body forces) and mass equations... 

A. Nauts and X. Chapuisat, Momentum, quasi-momentum and Hamiltonian operators in terms of arbitrary curvilinear coordinates, with special emphasis on molecular Hamiltonians. Mol. 

The FAB source operates near room temperature, and ions of the substance of interest are lifted out from the matrix by a momentum-transfer process that deposits little excess of vibrational and rotational energy in the resulting quasi-molecular ion. Thus, a further advantage of FAB/LSIMS over many other methods of ionization lies in its gentle or mild treatment of thermally labile substances such as peptides, proteins, nucleosides, sugars, and so on, which can be ionized without degrading their. structures. 

The quasi-classical theory of spectral shape is justified for sufficiently high pressures, when the rotational structure is not resolved. For isotropic Raman spectra the corresponding criterion is given by inequality (3.2). At lower pressures the well-resolved rotational components are related to the quantum number j of quantized angular momentum. At very low pressure each of the components may be considered separately and its broadening is qualitatively the same as of any other isolated line in molecular or atomic spectroscopy. 

Inequality (6.67) is the softest criterion of perturbation theory. Its physical meaning is straightforward the reorientation angle (2.30) should be small. Otherwise, a complete circle may be accomplished during the correlation time of angular momentum and the rotation may be considered to be quasi-free. Diffusional theory should not be extended to this situation. When it was nevertheless done [268], the results turned out to be qualitatively incorrect orientational relaxation time 19,2 remained finite for xj —> 00. In reality t0j2 tends to infinity in this limit [27, 269]. 

According to the ideal stripping model, the incident X + ion collides with a quasi-free H atom while the other H atom in the H2 molecule merely participates as idle spectator to the reaction. The conservation of momentum in the system X +-H requires the secondary ion XH + to be formed with the velocity ... 

The present model takes into account how capillary, friction and gravity forces affect the flow development. The parameters which influence the flow mechanism are evaluated. In the frame of the quasi-one-dimensional model the theoretical description of the phenomena is based on the assumption of uniform parameter distribution over the cross-section of the liquid and vapor flows. With this approximation, the mass, thermal and momentum equations for the average parameters are used. These equations allow one to determine the velocity, pressure and temperature distributions along the capillary axis, the shape of the interface surface for various geometrical and regime parameters, as well as the influence of physical properties of the liquid and vapor, micro-channel size, initial temperature of the cooling liquid, wall heat flux and gravity on the flow and heat transfer characteristics. 

The quasi-one-dimensional model of flow in a heated micro-channel makes it possible to describe the fundamental features of two-phase capillary flow due to the heating and evaporation of the liquid. The approach developed allows one to estimate the effects of capillary, inertia, frictional and gravity forces on the shape of the interface surface, as well as the on velocity and temperature distributions. The results of the numerical solution of the system of one-dimensional mass, momentum, and energy conservation equations, and a detailed analysis of the hydrodynamic and thermal characteristic of the flow in heated capillary with evaporative interface surface have been carried out. 

The subject of the present chapter is the analysis of possible states of capillary flow with distinct evaporative meniscus. The system of quasi-one-dimensional mass, momentum and energy equations are applied to classify the operating parameters corresponding to various types of flow. The domains of steady and unsteady states are also outlined. 

The quasi-one-dimensional model used in the previous sections for analysis of various characteristics of fiow in a heated capillary assumes a uniform distribution of the hydrodynamical and thermal parameters in the cross-section of micro-channel. In the frame of this model, the general characteristics of the fiow with a distinct interface, such as position of the meniscus, rate evaporation and mean velocities of the liquid and its vapor, etc., can be determined for given drag and intensity of heat transfer between working fluid and wall, as well as vapor and wall. In accordance with that, the governing system of equations has to include not only the mass, momentum and energy equations but also some additional correlations that determine... 

In this section we present the system of quasi-one-dimensional equations, describing the unsteady flow in the heated capillary tube. They are valid for flows with weakly curved meniscus when the ratio of its depth to curvature radius is sufficiently small. The detailed description of a quasi-one-dimensional model of capillary flow with distinct meniscus, as well as the estimation conditions of its application for calculation of thermohydrodynamic characteristics of two-phase flow in a heated capillary are presented in the works by Peles et al. (2000,2001) and Yarin et al. (2002). In this model the set of equations including the mass, momentum and energy balances is ... 

Thus, it should be noted that the flame propagation in combustible vortex rings is not steady, but "quasi-steady" in the strict sense of the word. This may explain why prediction 9, based on the momentum flux conservation can better describe the flame speed for large values of Vg than prediction 4, which adopts the Bernoulli s equation on the axis of rotation. 

In Og (Figure 8.1.5b), xmlike in the Ig case, the fuel jet momentum dispersed and the centerline velocity decayed rapidly owing to the lack of buoyancy. As a result, the fuel molecules diffused in every direction and formed a quasi-spherical flame. The slow diffusion processes (1) limited the transport rates of the fuel and oxygen into the flame zone and (2) decreased... 

Here, n denotes a number operator, a creation operator, c an annihilation operator, and 8 an energy. The first term with the label a describes the reactant, the second term describes the metal electrons, which are labeled by their quasi-momentum k, and the last term accounts for electron exchange between the reactant and the metal Vk is the corresponding matrix element. This part of the Hamiltonian is similar to that of the Anderson-Newns model [Anderson, 1961 Newns, 1969], but without spin. The neglect of spin is common in theories of outer sphere reactions, and is justified by the comparatively weak electronic interaction, which ensures that only one electron is transferred at a time. We shall consider spin when we treat catalytic reactions. 

In the present calculation the SIC potential is introduced for each angular momentum in a way similar to the SIC one for atoms [9]. The effects of the SIC are examined on the CPs of three materials, diamond, Si and Cu compared with high resolution CP experiments except diamond [10, 11]. In order to examine the quasi-particle nature of the electron system, the occupation number densities of Li and Na are evaluated from the GWA calculation and the CPs are computed by using them [12, 13]. 

It has been suggested that quasi-particle wave functions do not deviate much from LDA wave functions [26], Furthermore, in the evaluation of momentum densities shown in Figure 9, the characteristics of the quasi-particle states dominantly reflect on the occupation number densities which should be evaluated by using the general quasi-particle Green s function. In GWA, however, the corresponding occupation number densities are... 

A complete description of the method requires a procedure for selecting the initial conditions. At t 0, initial values for the complex basis set coefficients and the parameters that define the nuclear basis set (position, momentum, and nuclear phase) must be provided. Typically at the beginning of the simulation only one electronic state is populated, and the wavefunction on this state is modeled as a sum over discrete trajectories. The size of initial basis set (N/it = 0)) is clearly important, and this point will be discussed later. Once the initial basis set size is chosen, the parameters of each nuclear basis function must be chosen. In most of our calculations, these parameters were drawn randomly from the appropriate Wigner distribution [65], but the earliest work used a quasi-classical procedure [39,66,67], At this point, the complex amplitudes are determined by projection of the AIMS wavefunction on the target initial state (T 1)... 

To simulate the particle-particle collision, the hard-sphere model, which is based on the conservation law for linear momentum and angular momentum, is used. Two empirical parameters, a restitution coefficient of 0.9 and a friction coefficient of 0.3, are utilized in the simulation. In this study, collisions between spherical particles are assumed to be binary and quasi-instantaneous. The equations, which follow those of molecular dynamic simulation, are used to locate the minimum flight time of particles before any collision. Compared with the soft-sphere particle-particle collision model, the hard-sphere model accounts for the rotational particle motion in the collision dynamics calculation thus, only the translational motion equation is required to describe the fluid induced particle motion. In addition, the hard-sphere model also permits larger time steps in the calculation therefore, the simulation of a sequence of collisions can be more computationally effective. The details of this approach can be found in the literature (Hoomans et al., 1996 Crowe et al., 1998). 

Though this new algorithm still requires some time step refinement for computations with highly inelastic particles, it turns out that most computations can be carried out with acceptable time steps of 10 5 s or larger. An alternative numerical method that is also based on the compressibility of the dispersed particulate phase is presented by Laux (1998). In this so-called compressible disperse-phase method the shear stresses in the momentum equations are implicitly taken into account, which further enhances the stability of the code in the quasi-static state near minimum fluidization, especially when frictional shear is taken into account. In theory, the stability of the numerical solution method can be further enhanced by fully implicit discretization and simultaneous solution of all governing equations. This latter is however not expected to result in faster solution of the TFM equations since the numerical efforts per time step increase. 

The modification of the three and four-particle system due to the medium can be considered in cluster-mean field approximation. Describing the medium in quasi-particle approximation, a medium-modified Faddeev equation can be derived which was already solved for the case of three-particle bound states in [9], as well as for the case of four-particle bound states in [10]. Similar to the two-particle case, due to the Pauli blocking the bound state disappears at a given temperature and total momentum at the corresponding Mott density. 

Note that the projection operator P = (1 a, vF)/2 projects out the particle state, wF, and the anti-particle state, ip- (or more preciselyip-), from the Dirac spinor field k. The quasi-quarks in a patch carries the residual momentum l1 and is given as... 

To summarize, it has been found that the SH method is able to at least qualitatively describe the complex photoinduced electronic and vibrational relaxation dynamics exhibited by the model problems under consideration. The overall quality of SH calculations is typically somewhat better than the quality of the mean-field trajectory results. In particular, this holds in the case of several curve crossings (see Fig. 2) as well as when the dynamics and the observables of interest are essentially of adiabatic nature— for example, for the calculation of the adiabatic population dynamics associated with a conical intersection (see Figs. 3 and 12). Furthermore, we have briefly discussed various consistency problems of a simple quasi-classical SH description. It has been shown that binned electronic population probabilities and no momentum adjustment for classically forbidden transitions help us to improve this matter. There have been numerous suggestions to further improve the hopping algorithm [70-74] however, the performance of all these variants seems to depend largely on the problem under consideration. 

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