A Novel Operator-Splitting Technique for One-Dimensional Laminar Premixed Flames

This paper is concerned the calculation of flame structure of one-dimensional laminar premixed flames using the technique of operator-splitting. The technique utilizes an explicit method of solution with one step Euler for chemistry and a novel probabilistic scheme for diffusion. The relationship between diffusion phenomenon and Gauss-Markoff process is exploited to obtain an unconditionally stable explicit difference scheme for diffusion. The method has been applied to (a) a model problem, (b) hydrazine decomposition, (c) a hydrogen-oxygen system with 28 reactions with constant Dρ 2 approximation, and (d) a hydrogen-oxygen system (28 reactions) with trace diffusion approximation. Certain interesting aspects of behaviour of the solution with non-unity Lewis number are brought out in the case of hydrazine flame. The results of computation in the most complex case are shown to compare very favourably with those of Warnatz, both in terms of accuracy of results as well as computational time, thus showing that explicit methods can be effective in flame computations. Also computations using the Gear-Hindmarsh for chemistry and the present approach for diffusion have been carried out and comparison of the two methods is presented.

Beyond fractional derivatives: local approximation of other convolution integrals

Dynamic systems involving convolution integrals with decaying kernels, of which fractionally damped systems form a special case, are non-local in time and hence infinite dimensional. Straightforward numerical solution of such systems up to time t needs O(t(2)) computations owing to the repeated evaluation of integrals over intervals that grow like t. Finite-dimensional and local approximations are thus desirable. We present here an approximation method which first rewrites the evolution equation as a coupled in finite-dimensional system with no convolution, and then uses Galerkin approximation with finite elements to obtain linear, finite-dimensional, constant coefficient approximations for the convolution. This paper is a broad generalization, based on a new insight, of our prior work with fractional order derivatives (Singh & Chatterjee 2006 Nonlinear Dyn. 45, 183-206). In particular, the decaying kernels we can address are now generalized to the Laplace transforms of known functions; of these, the power law kernel of fractional order differentiation is a special case. The approximation can be refined easily. The local nature of the approximation allows numerical solution up to time t with O(t) computations. Examples with several different kernels show excellent performance. A key feature of our approach is that the dynamic system in which the convolution integral appears is itself approximated using another system, as distinct from numerically approximating just the solution for the given initial values; this allows non-standard uses of the approximation, e. g. in stability analyses.

Block Convolution Using Discrete Trigonometric Transforms and Discrete Fourier Transform

We derive expressions for convolution multiplication properties of discrete cosine transform II (DCT II) starting from equivalent discrete Fourier transform (DFT) representations. Using these expressions, a method for implementing linear filtering through block convolution in the DCT II domain is presented. For the case of nonsymmetric impulse response, additional discrete sine transform II (DST II) is required for implementing the filter in DCT II domain, where as for a symmetric impulse response, the additional transform is not required. Comparison with recently proposed circular convolution technique in DCT II domain shows that the proposed new method is computationally more efficient.

A Wavelet based Teager Energy Operator for Spike Detection in Microelectrode Array Recordings

Spike detection in neural recordings is the initial step in the creation of brain machine interfaces. The Teager energy operator (TEO) treats a spike as an increase in the `local' energy and detects this increase. The performance of TEO in detecting action potential spikes suffers due to its sensitivity to the frequency of spikes in the presence of noise which is present in microelectrode array (MEA) recordings. The multiresolution TEO (mTEO) method overcomes this shortcoming of the TEO by tuning the parameter k to an optimal value m so as to match to frequency of the spike. In this paper, we present an algorithm for the mTEO using the multiresolution structure of wavelets along with inbuilt lowpass filtering of the subband signals. The algorithm is efficient and can be implemented for real-time processing of neural signals for spike detection. The performance of the algorithm is tested on a simulated neural signal with 10 spike templates obtained from [14]. The background noise is modeled as a colored Gaussian random process. Using the noise standard deviation and autocorrelation functions obtained from recorded data, background noise was simulated by an autoregressive (AR(5)) filter. The simulations show a spike detection accuracy of 90%and above with less than 5% false positives at an SNR of 2.35 dB as compared to 80% accuracy and 10% false positives reported [6] on simulated neural signals.

Time Dependent Operator-split and Unsplit Schemes for One Dimensional Premixed Flames

This paper is concerned with a study of an operator split scheme and unsplit scheme for the computation of adiabatic freely propagating one-dimensional premixed flames. The study uses unsteady method for both split and unsplit schemes employing implicit chemistry and explicit diffusion, a combination which is stable and convergent. Solution scheme is not sensitive to the initial starting estimate and provides steady state even with straight line profiles (far from steady state) in small number of time steps. Two systems H2-Air and H2-NO (involving complex nitrogen chemistry) are considered in presentinvestigation. Careful comparison shows that the operator split approach is slightly superior than the unsplit when chemistry becomes complex. Comparison of computational times with those of existing steady and unsteady methods seems to suggest that the method employing implicit-explicit algorithm is very efficient and robust.

Detection of edges from projections

In a number of applications of computerized tomography, the ultimate goal is to detect and characterize objects within a cross section. Detection of edges of different contrast regions yields the required information. The problem of detecting edges from projection data is addressed. It is shown that the class of linear edge detection operators used on images can be used for detection of edges directly from projection data. This not only reduces the computational burden but also avoids the difficulties of postprocessing a reconstructed image. This is accomplished by a convolution backprojection operation. For example, with the Marr-Hildreth edge detection operator, the filtering function that is to be used on the projection data is the Radon transform of the Laplacian of the 2-D Gaussian function which is combined with the reconstruction filter. Simulation results showing the efficacy of the proposed method and a comparison with edges detected from the reconstructed image are presented

Squeezed states, metaplectic group, and operator möbius transformations

We present an analysis, based on the metaplectic group Mp(2), of the recently introduced single-mode inverse creation and annihilation operators and of the associated eigenstates of different two-photon annihilation operators. We motivate and obtain a quantum operator form of the classical Mobius or fractional linear transformation. The subtle relation to the two unitary irreducible representations of Mp(2) is brought out. For problems involving inverse operators the usefulness of the Bargmann analytic function representation of quantum mechanics is demonstrated. Squeezing, bunching, and photon-number distributions of the four families of states that arise in this context are studied both analytically and numerically

Squeezed vacuum as an eigenstate of two-photon annihilation operator

We introduce the inverse annihilation and creation operators a-1 and a(dagger-1) by their actions on the number states. We show that the squeezed vacuum exp(1/2xia(dagger2)]\0] and squeezed first number state exp[1.2xia(dagger2)]\n = 1] are respectively the eigenstates of the operators (a(dagger-1)a) and (aa(dagger-1)) with the eigenvalue xi.

The extended Enskog operator for simple fluids with continuous potentials: single particle and collective properties

We generalized the Enskog theory originally developed for the hard-sphere fluid to fluids with continuous potentials, such as the Lennard–Jones. We derived the expression for the k and ω dependent transport coefficient matrix which enables us to calculate the transport coefficients for arbitrary length and time scales. Our results reduce to the conventional Chapman–Enskog expression in the low density limit and to the conventional k dependent Enskog theory in the hard-sphere limit. As examples, the self-diffusion of a single atom, the vibrational energy relaxation, and the activated barrier crossing dynamics problem are discussed.

An operator-splitting finite element method for the efficient parallel solution of multidimensional population balance systems

A finite element method for solving multidimensional population balance systems is proposed where the balance of fluid velocity, temperature and solute partial density is considered as a two-dimensional system and the balance of particle size distribution as a three-dimensional one. The method is based on a dimensional splitting into physical space and internal property variables. In addition, the operator splitting allows to decouple the equations for temperature, solute partial density and particle size distribution. Further, a nodal point based parallel finite element algorithm for multi-dimensional population balance systems is presented. The method is applied to study a crystallization process assuming, for simplicity, a size independent growth rate and neglecting agglomeration and breakage of particles. Simulations for different wall temperatures are performed to show the effect of cooling on the crystal growth. Although the method is described in detail only for the case of d=2 space and s=1 internal property variables it has the potential to be extendable to d+s variables, d=2, 3 and s >= 1. (C) 2011 Elsevier Ltd. All rights reserved.

Dilations of Gamma-contractions by solving operator equations

For a contraction P and a bounded commutant S of P. we seek a solution X of the operator equation S - S*P = (1 - P* P)(1/2) X (1 - P* P)(1/2) where X is a bounded operator on (Ran) over bar (1 - P* P)(1/2) with numerical radius of X being not greater than 1. A pair of bounded operators (S, P) which has the domain Gamma = {(z(1) + z(2), z(2)): vertical bar z(1)vertical bar < 1, vertical bar z(2)vertical bar <= 1} subset of C-2 as a spectral set, is called a P-contraction in the literature. We show the existence and uniqueness of solution to the operator equation above for a Gamma-contraction (S, P). This allows us to construct an explicit Gamma-isometric dilation of a Gamma-contraction (S, P). We prove the other way too, i.e., for a commuting pair (S, P) with parallel to P parallel to <= 1 and the spectral radius of S being not greater than 2, the existence of a solution to the above equation implies that (S, P) is a Gamma-contraction. We show that for a pure F-contraction (S, P), there is a bounded operator C with numerical radius not greater than 1, such that S = C + C* P. Any Gamma-isometry can be written in this form where P now is an isometry commuting with C and C. Any Gamma-unitary is of this form as well with P and C being commuting unitaries. Examples of Gamma-contractions on reproducing kernel Hilbert spaces and their Gamma-isometric dilations are discussed. (C) 2012 Elsevier Inc. All rights reserved.

An operator-splitting Galerkin/SUPG finite element method for population balance equations : stability and convergence

We present a heterogeneous finite element method for the solution of a high-dimensional population balance equation, which depends both the physical and the internal property coordinates. The proposed scheme tackles the two main difficulties in the finite element solution of population balance equation: (i) spatial discretization with the standard finite elements, when the dimension of the equation is more than three, (ii) spurious oscillations in the solution induced by standard Galerkin approximation due to pure advection in the internal property coordinates. The key idea is to split the high-dimensional population balance equation into two low-dimensional equations, and discretize the low-dimensional equations separately. In the proposed splitting scheme, the shape of the physical domain can be arbitrary, and different discretizations can be applied to the low-dimensional equations. In particular, we discretize the physical and internal spaces with the standard Galerkin and Streamline Upwind Petrov Galerkin (SUPG) finite elements, respectively. The stability and error estimates of the Galerkin/SUPG finite element discretization of the population balance equation are derived. It is shown that a slightly more regularity, i.e. the mixed partial derivatives of the solution has to be bounded, is necessary for the optimal order of convergence. Numerical results are presented to support the analysis.

Operator-splitting finite element algorithms for computations of high-dimensional parabolic problems

An operator-splitting finite element method for solving high-dimensional parabolic equations is presented. The stability and the error estimates are derived for the proposed numerical scheme. Furthermore, two variants of fully-practical operator-splitting finite element algorithms based on the quadrature points and the nodal points, respectively, are presented. Both the quadrature and the nodal point based operator-splitting algorithms are validated using a three-dimensional (3D) test problem. The numerical results obtained with the full 3D computations and the operator-split 2D + 1D computations are found to be in a good agreement with the analytical solution. Further, the optimal order of convergence is obtained in both variants of the operator-splitting algorithms. (C) 2012 Elsevier Inc. All rights reserved.

Riesz transforms and multipliers for the Grushin operator

We show that Riesz transforms associated to the Grushin operator G = -Delta - |x|(2 similar to) (t) (2) are bounded on L (p) (a''e (n+1)). We also establish an analogue of the Hormander-Mihlin Multiplier Theorem and study Bochner-Riesz means associated to the Grushin operator. The main tools used are Littlewood-Paley theory and an operator-valued Fourier multiplier theorem due to L. Weis.

Improved quasiparticle wave functions and mean field for G(0)W(0) calculations: Initialization with the COHSEX operator

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.