968 resultados para Onsager reaction field approximation


Relevância:

30.00% 30.00%

Publicador:

Resumo:

The reactions of marine fishes in interrupted A. C. off uniform electrical field and constant current density have been studied in order to determine the optimum effective periods of shock: for narcosis and fixation. Higher effective periods were required with gradual decrease in potential difference between head and tail, which in turn depended on the length of fish and its position in electrical field. The body voltage of fish varied directly with the length and inversely with the rise of angle between their body axis and field lines. The fish subjected to higher effective period took longer time for recovery from narcosis. The effect of impulse current was manifested by increased rate of gill movements in Platax tefora, Haetodon ollaris, Crysophus burda, Siganus vermiculatus and Scolopsis leucotaenia, and lowered rate of movements in others when subjected to different effective periods inspective of length.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

Response to external electric field (D. C.) of three different varieties of fish namely Puntius ticto, Heteropneustis fossilis and Tilapia mossambica having different anatomical and behavioural characteristics were studied. Clearly distinguished reactions occurred one after another m all the varieties of fish with the increase in field intensity with minor specific variations. These reactions can be broadly classified into initial start (first reaction), forced swimming (galvanotaxis), slackening of body muscle (galvanonarcosis) and state of muscular rigidity (tetanus). The orientation of the organism (projection of nervous element) to the surrounding field has been found to have important bearing on the behaviour reactions. Clearly differentiated anodic taxis and true narcosis set in when fish body axis was parallel to the lines of current conduction. But with greater angle between the body axis and the current lines, fish did not show well marked reactions. Fish body, when perpendicular to current lines responded for anodic curvature and off balance swimming followed by tetanus.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

In this study various scalar dissipation rates and their modelling in the context of partially premixed flame are investigated. A DNS dataset of the near field of a turbulent hydrogen lifted jet flame is processed to analyse the mixture fraction and progress variable dissipation rates and their cross dissipation rate at several axial positions. It is found that the classical model for the passive scalar dissipation rate ε{lunate}̃ZZ gives good agreement with the DNS, while models developed based on premixed flames for the reactive scalar dissipation rate ε{lunate}̃cc only qualitatively capture the correct trend. The cross dissipation rate ε{lunate}̃cZ is mostly negative and can be reasonably approximated at downstream positions once ε{lunate}̃ZZ and ε{lunate}̃cc are known, although the sign cannot be determined. This approach gives better results than one employing a constant ratio of turbulent timescale and the scalar covariance c'Z'̃. The statistics of scalar gradients are further examined and lognormal distributions are shown to be very good approximations for the passive scalar and acceptable for the reactive scalar. The correlation between the two gradients increases downstream as the partially premixed flame in the near field evolves ultimately to a diffusion flame in the far field. A bivariate lognormal distribution is tested and found to be a reasonable approximation for the joint PDF of the two scalar gradients. © 2011 The Combustion Institute.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

Evaluating free energy profiles of chemical reactions in complex environments such as solvents and enzymes requires extensive sampling, which is usually performed by potential of mean force (PMF) techniques. The reliability of the sampling depends not only on the applied PMF method but also the reaction coordinate space within the dynamics is biased. In contrast to simple geometrical collective variables that depend only on the positions of the atomic coordinates of the reactants, the E(gap) reaction coordinate (the energy difference obtained by evaluating a suitable force field using reactant and product state topologies) has the unique property that it is able to take environmental effects into account leading to better convergence, a more faithful description of the transition state ensemble and therefore more accurate free energy profiles. However, E(gap) requires predefined topologies and is therefore inapplicable for multistate reactions, in which the barrier between the chemically equivalent topologies is comparable to the reaction activation barrier, because undesired "side reactions" occur. In this article, we introduce a new energy-based collective variable by generalizing the E(gap) reaction coordinate such that it becomes invariant to equivalent topologies and show that it yields more well behaved free energy profiles than simpler geometrical reaction coordinates.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

Starting from effective mass Hamiltonian, we systematically investigate the symmetry of low-dimensional structures with spin-orbit interaction and transverse magnetic field. The position-dependent potentials are assumed to be space symmetric, which is ever-present in theory and experiment research. By group theory, we analyze degeneracy in different cases. Spin-orbit interaction makes the transition between Zeeman sub-levels possible, which is originally forbidden within dipole approximation. However, a transition rule given in this paper for the first time shows that the transition between some levels is forbidden for space symmetric potentials. (C) 2009 Elsevier Ltd. All rights reserved.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Relevância:

30.00% 30.00%

Publicador:

Resumo:

We have studied the single-electron and two-electron vertically assembled quantum disks in an axial magnetic field using the effective mass approximation. The electron interaction is treated accurately by the direct diagonalization of the Hamiltonian matrix. We calculate the six energy levels of the single-electron quantum disks and the two lowest energy levels of the two-electron quantum disks in an axial magnetic field. The change of the magnetic field strongly modifies the electronic structures as an effective potential, leading to the splitting of the levels and the crossings between the levels. The effect of the vertical alignment on the electronic structures is discussed. It is demonstrated that the switching of the ground-state spin exists between S=0 and S=1. The energy difference DeltaE between the lowest S=0 and S=1 states is shown as a function of the axial magnetic field. It is also found that the variation of the energy difference between the lowest S=0 and S=1 states in the strong-B S=0 state is fairly linear. Our results provide a possible realization for a qubit to be fabricated by current growth techniques. (C) 2004 American Institute of Physics.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

The quality factors of modes in square resonators are calculated based on the far-field emission of the analytical field distribution. The obtained quality factors are in reasonable agreement with those calculated by the finite-difference time-domain (FDTD) technique and Pade approximation method. The emission power in the square diagonal directions for whispering-gallery-like modes in square resonators is zero due to the interference cancellation caused by the odd field distributions relative to the diagonal mirror planes, so they have larger quality factors than the modes with even field distribution.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

We have studied the electronic structure of vertically assembled quantum discs in a magnetic field with varying orientation using the effective mass approximation. We calculate the four energy levels of single-electron quantum discs and the two lowest energy levels of two-electron quantum discs in a magnetic field with varying orientation. The change of the magnetic field as an effective potential strongly modifies the electronic structure, leading to splittings of the levels and anticrossings between the levels. The calculated results also demonstrate the switching between the ground states with the total spin S = 0 and 1. The switching induces a qubit controlled by varying the orientation of the magnetic field.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

The time evolution of the ground state wave function of an exciton in an ideal bilayer system is investigated within the framework of the effective-mass approximation. All of the moduli squared of the ground state wave functions evolve with time as cosine functions after an in-plane electric field is applied to the bilayer system. The variation amplitude and period of the modulus squared of the ground state wave function increase with the in-plane electric field F-r for a fixed in-plane relative coordinate r and fixed separation d between the electron and hole layers. Moreover, the variation amplitude and period of the modulus squared of the ground state wave function increase with the separation d for a fixed r and fixed in-plane electric field. Additionally, the modulus squared of the ground state wave function decreases as r increases at a given time t for fixed values of d and F-r. (c) 2007 American Institute of Physics.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

The shape dependence of electronic structure, electron g factors in the presence of the external magnetic field of InSb quantum ellipsoids are investigated in the framework of eight-band effective-mass approximation. It is found that as the increasing aspect ratio e, the electron states with P character split into three doublets for the different physical interaction and the light-hole states with S character come up to the top of valence bands at e = 2.6 in comparison with the heavy-hole states. In the presence of the external magnetic field, the energy splits of electron states are different for their wave function distribution direction, and the hole ground state remain optical active for a suitable aspect ratio. The electron g factors of InSb spheres decrease with increasing radius, and have the value of about two for the smallest radius, about -47.2 for sufficiently larger radius, similar to the bulk material case. Actually, the electron g factors decrease as any one of the three dimensions increase. The more dimensions increase, the more g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimensions. (c) 2006 Elsevier B.V. All rights reserved.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

We have studied the exciton states of vertically stacked self-assembled quantum disks within the effective mass approximation. The ground energies of a heavy-hole and a light-hole excitons as functions of the vertical disk separation are presented and discussed. The transition energy of a heavy-hole ground-state exciton is calculated and compared with the experimental data. The binding energies are discussed in terms of the probability of ground wave function. The ground energies of a heavy-hole and a light-hole excitons as functions of the applied axial magnetic field are calculated and the effect of disk size (radius of disks) on exciton energies is discussed. (c) 2006 Elsevier B.V. All rights reserved.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

In the framework of the effective-mass and adiabatic approximations, by setting the effective-mass of electron in the quantum disks (QDs) different from that in the potential barrier material, we make some improvements in the calculation of the electronic energy levels of vertically stacked self-assembled InAs QD. Comparing with the results when an empirical value was adopted as the effective-mass of electron of the system, we can see that the higher levels become heightened. Furthermore, the Stark shifts of the system of different methods are compared. The Stark shifts of holes are also studied. The vertical electric field changes the splitting between the symmetric level and the antisymmetric one for the same angular momentum. (C) 2003 Elsevier Ltd. All rights reserved.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

The electronic structure of quantum rings is studied in the framework of the effective-mass theory and the two dimensional hard wall approximation. In cases of both the absence and presence of a magnetic field the electron momenta of confined states and the Coulomb energies of two electrons are given as functions of the angular momentum, inner radius, and magnetic-field strength. By comparing with experiments it is found that the width of the real confinement potential is 14 nm, much smaller than the phenomenal width. The Coulomb energy of two electrons is calculated as 11.1 meV. The quantum waveguide transport properties of Aharonov-Bohm (AB) rings are studied complementarily, and it is found that the correspondence of the positions of resonant peaks in AB rings and the momentum of confined states in closed rings is good for thin rings, representing a type of resonant tunneling.

Relevância:

30.00% 30.00%

Publicador:

Resumo:

The electronic state of a two-dimensional electron system (2DES) in the presence of a perpendicular uniform magnetic field and a lateral superlattice (LS) is investigated theoretically. A comparative study is made between a LS induced by a spatial electrostatic potential modulation (referred to as a PMLS) and that induced by a spatial magnetic-field modulation (referred ro asa MMLS). By utilizing a finite-temperature self-consistent Hartree-Fock approximation scheme; the dependence of the electronic state on different system parameters (e.g., the modulation period, the modulation strength, the effective electron-electron interaction strength, the averaged electron density, and the system temperature) is studied in detail. The inclusion of exchange effect is found to bring qualitative changes to the electronic state of a PMLS, leading generally to a nonuniform spin splitting, and consequently the behavior of the electronic state becomes similar to that of a MMLS. The Landau-level coupling is taken into account, and is found to introduce some interesting features not observed before. It is also found that, even in the regime of intermediate modulation strength, the density dependence of the spin splitting of energy levels, either for a PMLS or a MMLS, can be qualitatively understood within the picture of a 2DES in a perpendicular magnetic field with the modulation viewed as a perturbation. [S0163-1829(97)02248-0].