Quantitative 2D exchange spectroscopy using time-proportional phase incrementation

We have used a version of 2D exchange spectroscopy which employs amplitude modulation during evolution to obtain pure absorption-mode exchange maps of several multisite systems. Quadrature detection in ω₁ is provided by 90° phase incrementation of the excitation pulse in concert with incrementation of t_i. The matrix A of normalized peak amplitudes is determined by the dynamic processes which occur during the mixing interval τ_m according to the rate matrix R, which contains chemical exchange and longitudinal relaxation terms. The R matrix may be directly calculated from A using an eigenvalue-eigenvector method. In principle all of the dynamic parameters of a spin system of any size may be calculated from a pair of phase-sensitive exchange spectra acquired with and without mixing. This approach distinguishes between direct and indirect (relay) couplings irrespective of mixing time. The principles and practical aspects of exchange spectroscopy with time-proportional phase incrementation are briefly discussed and the method is illustrated with the measurement of chemical exchange rates in three-site and five-site spin systems.     

Conservative space-time mesh refinement methods for the FDTD solution of Maxwell’s equations

A new variational space-time mesh refinement method is proposed for the FDTD solution of Maxwell’s equations. The main advantage of this method is to guarantee the conservation of a discrete energy that implies that the scheme remains L² stable under the usual CFL condition. The only additional cost induced by the mesh refinement is the inversion, at each time step, of a sparse symmetric positive definite linear system restricted to the unknowns located on the interface between coarse and fine grid. The method is presented in a rather general way and its stability is analyzed. An implementation is proposed for the Yee scheme. In this case, various numerical results in 3-D are presented in order to validate the approach and illustrate the practical interest of space-time mesh refinement methods.     

A parallel algorithm for solving the 3d Schrödinger equation

We describe a parallel algorithm for solving the time-independent 3d Schrödinger equation using the finite difference time domain (FDTD) method. We introduce an optimized parallelization scheme that reduces communication overhead between computational nodes. We demonstrate that the compute time, t, scales inversely with the number of computational nodes as t ∝ (N_nodes)^{−0.95 ± 0.04}. This makes it possible to solve the 3d Schrödinger equation on extremely large spatial lattices using a small computing cluster. In addition, we present a new method for precisely determining the energy eigenvalues and wavefunctions of quantum states based on a symmetry constraint on the FDTD initial condition. Finally, we discuss the usage of multi-resolution techniques in order to speed up convergence on extremely large lattices.     

Monte Carlo simulation of film growth in a phase separating binary alloy model

Using a kinetic Monte Carlo method, we simulate binary film (A_0.5B_0.5/A) growth on an L×L square lattice with the focus on the domain growth behaviour. We compute the average domain area, A(t), as a measure of domain size. For a sufficiently large system, we find that A(t) grows with a power law in time with A(t)∼t^2/3 after the initial transient time. This implies that the dynamic exponent for domain growth with non-conserved order parameter is z=3, a value which was theoretically predicted for the conserved order parameter case. Further analysis reveals that such a power-law behaviour emerges because the order parameter is approximately conserved after the early stage of growth.     

A novel CN–ICCG–FDTD algorithm research of plasma reflection and transmission characteristics of electromagnetic wave

The advantage of the ICCG method for solving large sparse matrix is taken in the CN–FDTD equation solving. The CN–ICCG–FDTD can accelerate iteration for numerical calculation, and reduce memory overhead. Maxwell's equation of the electromagnetic wave in dispersive medium plasma is deduced from the CN format after being differentiated in the time domain, the FDTD method become unconditionally stable. In this process, a large sparse matrix is generated. As for solving such matrix, ICCG method has sufficient advantages. In ICCG method, convergence is so fast and stable that it is quite easy for computer programming. In addition, data required by ICCG method are memorized in a computer in the format of the one-dimensional compression, which helps the computer memory save a large amount of capacity, especially when the issues are rather complex to cope with, this algorithm will display such strength. With these advantages, ICCG method is able to calculate the reflection coefficient and the transmission coefficient of electromagnetic waves in plasma as well as the phase angle of them. The calculation indicates that the time step required by CN–ICCG–FDTD method has eliminated the constraints of the CFL, thus shortening the required time, making the calculated result stable and accurate, and improving the efficiency of programming.     

Comments on the Kolmogorov-Sinai-Sąsiada entropy and the quantum information theory

Commenting the recent generalization by S$\text{a}\text{?}$siada of the Kolmogorov-Sinai entropy to the quantum case (KSSentropy), it is remarked that this entropy refers to the process of evolution as a whole and to the initial state (t = 0), not to the state at any time (t ? 0). Therefore, the KSS entropy has no direct relation to the von Neumann entropy or A-entropy at time t. Secondly, the proof of the no-increase theorem of S$\text{a}\text{?}$siada (referring to the initial time) is valid only for the Markov type of time evolution, while the KSS entropy can be generalized to time evolution with arbitrary time correlations. Some important consequences of the new concept for the formulation of the quantum information theory are also presented.     

Photoionisation of atoms and Möller operators

The motion of an hydrogenoïd atom in a laser field is usually given by the time-dependent hamiltonian H(t)=[p?A(t)]²/2+V(r) where V(r) is the atomic potential whileA(t) is to be connected with the laser field. The existence and unicity for the Cauchy problem of the solutions of the corresponding Schrödinger equation are established under mild conditions onA(t) and V(r). The existence of Möller operators is investigated in two cases, namely, when the laser field is a function of time only and when it vanishes asymptotically in time. Special attention is paid for the Coulomb case for which a “distorted” Möller operator is derived. Finally, when the laser field vanishes ast→∞, the photoionisation probability is properly defined by means of the Möller operator $$\Omega (H_{At} ,H) = s - \mathop {\lim }\limits_{t \to \infty } U_{At} (t)^{ - 1} U(t)$$ , whereU(t) is the evolution operator for the system whileU _Att (t) is the evolution operator for the atom.     

A mode coupling theory of higher order time correlation functions

Kawasaki's mode coupling theory [Ann. Phys. 61 (1970) 1] is used to compute time correlation functions of the form 〈A_k0(t₀) … A_kn(t_n)〉, where A_k(t) represents some slowly varying quantity. The Gaussian and Bare Vertex approximations are made, thus yielding extremely simple expressions for these higher order correlation functions. These do not contain any bare transport coefficients and suggest relatively simple tests by which the theory could be checked. Examples relating to light scattering in nonequilibrium systems and the hydrodynamics of simple fluids are presented.     

Coarse-grained kinetic equations for quantum systems

The nonequilibrium density matrix method is employed to derive a master equation for the averaged state populations of an open quantum system subjected to an external high frequency stochastic field. It is shown that if the characteristic time τ_stoch of the stochastic process is much lower than the characteristic time τ_steady of the establishment of the system steady state populations, then on the time scale Δt ～ τ_steady, the evolution of the system populations can be described by the coarse-grained kinetic equations with the averaged transition rates. As an example, the exact averaging is carried out for the dichotomous Markov process of the kangaroo type.     

Millimeter Wave Gunn Diode Oscillator Design Based on FDTD Method*

In this paper, a millimeter wave Gunn diode oscillator is analyzed and designed by the finite-difference time-domain (FDTD) method. The design results indicate that the oscillator has an oscillation frequency of 45.0GHz and a higher oscillation voltage. Based on the circuit equations and an integral transform, an improved matrix method is utilized for the oscillator design. This method is also extended to model the hybrid network which is constructed by the high order linear elements and the nonlinear elements with arbitrary connections. The experience shows that the improved FDTD method is stable with the time step length Δt based on the Courant condition. *This work was supported by the National Natural Science Foundation of China.     

Bounds on theK-Π matrix elements

Using Machet's method, we derive bounds on theK-Π matrix elements. Our bounds on matrix elements with left-left operators show that quark model calculations always overestimate these matrix elements. In all cases the vacuum insertion method gives an upper bound. No conclusive indication of an enhancement of the penguin matrix element is observed. Its contribution to the ΔI=1/2 amplitude could possibly be destructive and would rule out the penguins as an explanation to the ΔI=1/2 rule.     

Diffusion in very chaotic hamiltonian systems

We study nonintegrable hamiltonian dynamics: H(I,θ) = H₀(I) + kH₁(I,θ), for large k, that is, far from integrability. An integral representation is given for the conditional probability P(I,θ, t¦I₀, θ₀, t₀) that the system is at I, θ at t, given it was at I₀, θ₀ at t₀. By discretizing time into steps of size ?, we show how to evaluate physical observables for large k, fixed ?. An explicit calculation of a diffusion coefficient in a two degrees of freedom problem is reported. Passage to ? = 0, the original hamiltonian flow, is discussed.     

A study of fractional Schrödinger equation composed of Jumarie fractional derivative

In this paper we have derived the fractional-order Schrödinger equation composed of Jumarie fractional derivative. The solution of this fractional-order Schrödinger equation is obtained in terms of Mittag–Leffler function with complex arguments, and fractional trigonometric functions. A few important properties of the fractional Schrödinger equation are then described for the case of particles in one-dimensional infinite potential well. One of the motivations for using fractional calculus in physical systems is that the space and time variables, which we often deal with, exhibit coarse-grained phenomena. This means infinitesimal quantities cannot be arbitrarily taken to zero – rather they are non-zero with a minimum spread. This type of non-zero spread arises in the microscopic to mesoscopic levels of system dynamics, which means that, if we denote x as the point in space and t as the point in time, then limit of the differentials dx (and dt) cannot be taken as zero. To take the concept of coarse graining into account, use the infinitesimal quantities as (Δx) ^α (and (Δt) ^α ) with 0 < α < 1; called as ‘fractional differentials’. For arbitrarily small Δx and Δt (tending towards zero), these ‘fractional’ differentials are greater than Δx (and Δt), i.e. (Δx) ^α > Δx and (Δt) ^α > Δt. This way of defining the fractional differentials helps us to use fractional derivatives in the study of dynamic systems.     

Dynamical study of the necklace states

Based on finite-difference-time domain methods (FDTD), we have numerically directly investigated the dynamical effects of necklace states on the transmission for one-dimensional (1D) random systems with pulsed incidence in time domain. The necklace state propagation property, which is faster than the common localized modes, is demonstrated directly. From the instantaneous decay coefficient κ(t) and the instantaneous transmittance spectrum T(τ,ω), we have constructed a dynamical picture for the random systems with necklace states. In the picture, we have explained the high plateau on the κ(t) curves by the properties of necklace states, and then defined the time range of high plateau as the “effective time range” of necklace states effects. Further more, we have confirmed the dynamical picture by the ensemble study of random configurations. For the different length, we show that the effects of necklace states will be stronger if the system is longer. Besides these, we also introduce the instantaneous decay coefficient and the instantaneous transmittance spectrum to study the dynamical effects of necklace states. This theoretical study of necklace states can be helpful not only for the deeper physical understanding of necklace states, but also for the experimental observation of necklace states.     

Change in the shape of a symmetric light pulse passing through a quantum well

A theory for the response of a 2D two-level system to irradiation by a symmetric light pulse is developed. Under certain conditions, such an electron system approximates an ideal solitary quantum well in a zero field or a strong magnetic field H perpendicular to the plane of the well. One of the energy levels is the ground state of the system, while the other is a discrete excited state with energy ?ω₀, which may be an exciton level for H=0 or any level in a strong magnetic field. It is assumed that the effect of other energy levels and the interaction of light with the lattice can be ignored. General formulas are derived for the time dependence of the dimensionless “coefficients” of the reflection ?(t), absorption A(t), and transmission ?(t) for a symmetric light pulse. It is shown that the ?(t), A(t), and ?(t) time dependences have singular points of three types. At points t ₀ of the first type, A(t ₀)=T(t ₀)=0 and total reflection takes place. It is shown that for γ_r?γ, where γ_r and γ are the radiative and nonradiative reciprocal lifetimes, respectively, for the upper energy level of the two-level system, the amplitude and shape of the transmitted pulse can change significantly under the resonance ω_l=ω₀. In the case of a long pulse, when γ_l<γ_r, the pulse is reflected almost completely. (The quantity γ_l characterizes the duration of the exciting pulse.) In the case of an intermediate pulse duration γ_l?γ_r, the reflection, absorption, and transmission are comparable in value and the shape of the transmitted pulse differs considerably from the shape of the exciting pulse: the transmitted pulse has two peaks due to the existence of the point t ₀ of total reflection, at which the transmission is zero. If the carrier frequency ω_l of light differs from the resonance frequency ω₀, the oscillating ?(t), A(t), and ?(t) time dependences are observed at the frequency Δω=ωl?ω₀. Oscillations can be observed most conveniently for Δω?γ_l. The position of the singular points of total absorption, reflection, and transparency is studied for the case when ω_l differs from the resonance frequency.     

Self-diffraction of frequency-modulated light in the Bi12TiO20 crystal

The self-diffraction of frequency-modulated light in the photorefractive B₁₂TiO₂₀ crystal was studied experimentally. To observe the effect, the crystal was illuminated by two light beams with the relative frequency shift Δf(t). In the experiments, linear frequency modulation was used: Δf(t) = At. As a result of the light self-diffraction on a hologram moving with a constant acceleration, the power of the light beams at the crystal output changed in the form of a chirp pulse. It was found that the pulse appears at the instant of stopping the interference pattern, and its duration is determined by the rate of frequency change A and the hologram recording time τ _sc .     

Spin waves propagation in Fibonacci quasiperiodic metamagnet superlattices

In this work we present a fractal analysis of the spin wave modes propagating in a Fibonacci quasiperiodic metamagnetic superlattices consisting of a ferromagnetic material (layer A being Fe) and a metamagnetic material (layer B being FeBr₂). The spin wave modes are obtained in the exchange regime, using the transfer matrix technique. Our numerical results show that the power law for this system is independent of the dimensionless in-plane wavevector kxa$k_{x}a$, and that the spectrum present a multifractal characteristic, exhibiting several scale invariant windows for a fixed value of the in-plane wavevector. The results reported here can be experimentally observed by light scattering techniques.     

An efficient local time-stepping scheme for solution of nonlinear conservation laws

We develop an efficient local time-stepping algorithm for the method of lines approach to numerical solution of transient partial differential equations. The need for local time-stepping arises when adaptive mesh refinement results in a mesh containing cells of greatly different sizes. The global CFL number and, hence, the global time step, are defined by the smallest cell size. This can be inefficient as a few small cells may impose a restrictive time step on the whole mesh. A local time-stepping scheme allows us to use the local CFL number which reduces the total number of function evaluations. The algorithm is based on a second order Runge–Kutta time integration. Its important features are a small stencil and the second order accuracy in the L² and L^∞ norms.     

A spectral-element discontinuous Galerkin lattice Boltzmann method for nearly incompressible flows

We present a spectral-element discontinuous Galerkin lattice Boltzmann method for solving nearly incompressible flows. Decoupling the collision step from the streaming step offers numerical stability at high Reynolds numbers. In the streaming step, we employ high-order spectral-element discontinuous Galerkin discretizations using a tensor product basis of one-dimensional Lagrange interpolation polynomials based on Gauss–Lobatto–Legendre grids. Our scheme is cost-effective with a fully diagonal mass matrix, advancing time integration with the fourth-order Runge–Kutta method. We present a consistent treatment for imposing boundary conditions with a numerical flux in the discontinuous Galerkin approach. We show convergence studies for Couette flows and demonstrate two benchmark cases with lid-driven cavity flows for Re = 400–5000 and flows around an impulsively started cylinder for Re = 550–9500. Computational results are compared with those of other theoretical and computational work that used a multigrid method, a vortex method, and a spectral element model.     

Adaptive photodetectors based on charge gratings in the problems of frequency-modulated optical signal detection

Nonstationary photovoltage excitation by frequency-modulated light in an adaptive photodetector based on GaAs is studied. To observe the effect, the crystal is exposed to light beams with the relative frequency shift Δf(t). Linear frequency modulation Δf(t) = At is used in the experiments. As a result of such illumination, a pulsed electrical signal is induced in the crystal. The pulse appears at the deceleration of the interference pattern motion, and its duration is controlled by the frequency variation rate A and the time of the charge grating formation. The possibility of using the effect in the systems for measuring velocities and accelerations of moving objects is shown.