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.

Algorithmic approach to simulate Hamiltonian dynamics and an NMR simulation of quantum state transfer

We propose an iterative algorithm to simulate the dynamics generated by any n-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator U (unitary) into a product of different time-step unitaries. The algorithm product-decomposes U in a chosen operator basis by identifying a certain symmetry of U that is intimately related to the number of gates in the decomposition. We illustrate the algorithm by first obtaining a polynomial decomposition in the Pauli basis of the n-qubit quantum state transfer unitary by Di Franco et al. [Phys. Rev. Lett. 101, 230502 (2008)] that transports quantum information from one end of a spin chain to the other, and then implement it in nuclear magnetic resonance to demonstrate that the decomposition is experimentally viable. We further experimentally test the resilience of the state transfer to static errors in the coupling parameters of the simulated Hamiltonian. This is done by decomposing and simulating the corresponding imperfect unitaries.

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.

Large mass splittings for fourth generation fermions allowed by LHC Higgs boson exclusion

In the context of the standard model with a fourth generation, we explore the allowed mass spectra in the fourth-generation quark and lepton sectors as functions of the Higgs mass. Using the constraints from unitarity and oblique parameters, we show that a heavy Higgs allows large mass splittings in these sectors, opening up new decay channels involving W emission. Assuming that the hints for a light Higgs do not yet constitute an evidence, we work in a scenario where a heavy Higgs is viable. A Higgs heavier than similar to 800 GeV would in fact necessitate either a heavy quark decay channel t' -> b'W/b' -> t'W or a heavy lepton decay channel tau' -> nu'W as long as the mixing between the third and fourth generations is small. This mixing tends to suppress the mass splittings and hence the W-emission channels. The possibility of the W-emission channel could substantially change the search strategies of fourth-generation fermions at the LHC and impact the currently reported mass limits.

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.

DIMENSION FREE BOUNDEDNESS OF RIESZ TRANSFORMS FOR THE GRUSHIN OPERATOR

Let G = -Delta(xi) - vertical bar xi vertical bar(2) partial derivative(2)/partial derivative eta(2) be the Grushin operator on R-n x R. We prove that the Riesz transforms associated to this operator are bounded on L-p(Rn+1), 1 < p < infinity, and their norms are independent of dimension n.

Two-point correlation function of an exclusion process with hole-dependent rates

We consider an exclusion process on a ring in which a particle hops to an empty neighboring site with a rate that depends on the number of vacancies n in front of it. In the steady state, using the well-known mapping of this model to the zero-range process, we write down an exact formula for the partition function and the particle-particle correlation function in the canonical ensemble. In the thermodynamic limit, we find a simple analytical expression for the generating function of the correlation function. This result is applied to the hop rate u(n) = 1 + (b/n) for which a phase transition between high-density laminar phase and low-density jammed phase occurs for b > 2. For these rates, we find that at the critical density, the correlation function decays algebraically with a continuously varying exponent b - 2. We also calculate the two-point correlation function above the critical density and find that the correlation length diverges with a critical exponent nu = 1/(b - 2) for b < 3 and 1 for b > 3. These results are compared with those obtained using an exact series expansion for finite systems.

Monopoles, Dirac operator, and index theory for fuzzy SU(3) / (U(1) x U(1))

The intersection of the ten-dimensional fuzzy conifold Y-F(10) with S-F(5) x S-F(5) is the compact eight-dimensional fuzzy space X-F(8). We show that X-F(8) is (the analogue of) a principal U(1) x U(1) bundle over fuzzy SU(3) / U(1) x U(1)) ( M-F(6)). We construct M-F(6) using the Gell-Mann matrices by adapting Schwinger's construction. The space M-F(6) is of relevance in higher dimensional quantum Hall effect and matrix models of D-branes. Further we show that the sections of the monopole bundle can be expressed in the basis of SU(3) eigenvectors. We construct the Dirac operator on M-F(6) from the Ginsparg-Wilson algebra on this space. Finally, we show that the index of the Dirac operator correctly reproduces the known results in the continuum.

An interior penalty method for distributed optimal control problems governed by the biharmonic operator

In this paper, a C-0 interior penalty method has been proposed and analyzed for distributed optimal control problems governed by the biharmonic operator. The state and adjoint variables are discretized using continuous piecewise quadratic finite elements while the control variable is discretized using piecewise constant approximations. A priori and a posteriori error estimates are derived for the state, adjoint and control variables under minimal regularity assumptions. Numerical results justify the theoretical results obtained. The a posteriori error estimators are useful in adaptive finite element approximation and the numerical results indicate that the sharp error estimators work efficiently in guiding the mesh refinement. (C) 2014 Elsevier Ltd. All rights reserved.

L-p estimates for the wave equation associated to the Grushin operator

We prove that the solution of the wave equation associated to the Grushin operator G = -Delta -vertical bar x vertical bar(2)partial derivative(2)(t) is bounded on L-P (Rn+1), with 1 < p < infinity, when vertical bar 1/p - 1/2 vertical bar < 1/n+2.

A comparative study of a direct discretization and an operator-splitting solver for population balance systems

A direct discretization approach and an operator-splitting scheme are applied for the numerical simulation of a population balance system which models the synthesis of urea with a uni-variate population. The problem is formulated in axisymmetric form and the setup is chosen such that a steady state is reached. Both solvers are assessed with respect to the accuracy of the results, where experimental data are used for comparison, and the efficiency of the simulations. Depending on the goal of simulations, to track the evolution of the process accurately or to reach the steady state fast, recommendations for the choice of the solver are given. (C) 2015 Elsevier Ltd. All rights reserved.

Universality of the Stochastic Airy Operator

We introduce a new method for studying universality of random matrices. Let T-n be the Jacobi matrix associated to the Dyson beta ensemble with uniformly convex polynomial potential. We show that after scaling, Tn converges to the stochastic Airy operator. In particular, the top edge of the Dyson beta ensemble and the corresponding eigenvectors are universal. As a byproduct, these ideas lead to conjectured operator limits for the entire family of soft edge distributions. (C) 2015 Wiley Periodicals, Inc.