Criteria for mixed grids in computational fluid dynamics

The finite volume method is used as a numerical method for solving the fluid flow equations. This method is appropriate to employ under structured and unstructured meshes. Mixed grids, combining both types of grids, are investigated. The coupling of different grids is done by overlapping strategy. The computational effort for the mixed grid is evaluated by the CPU-time, with different percentage of covering area of the unstructured mesh. The present scheme is tested for the driven cavity problem, where the incompressible fluid is integrated by calculating the velocity fields and computing the pressure field in each time step. Several schemes for unstructured grid are examined, and the compatibility condition is applied to check their consistency. A scheme to verify the compatibility condition for the unstructured grids is presented. (c) 2006 IMACS. Published by Elsevier B.V. All rights reserved.

GENERATING FUNCTION FOR CLEBSCH-GORDAN-COEFFICIENTS, OF THE SUQ(2) QUANTUM ALGEBRA

Some methods have been developed to calculate the su(q)(2) Clebsch-Gordan coefficients (CGC). Here we develop a method based on the calculation of Clebsch-Gordan generating functions through the use of 'quantum algebraic' coherent states. Calculating the su(q)(2) CGC by means of this generating function is an easy and straightforward task.

Computational studies of the reversible domain swapping of p13suc1

A minimalist representation of protein structures using a Go- like potential for interactions is implemented to investigate the mechanisms of the domain swapping of p13suc1, a protein that exists in two native conformations: a monomer and a domain- swapped dimer formed by the exchange of a beta- strand. Inspired by experimental studies which showed a similarity of the transition states for folding of the monomer and the dimer, in this study we justify this similarity in molecular descriptions. When intermediates are populated in the simulations, formation of a domain- swapped dimer initiates from the ensemble of unfolded monomers, given by the fact that the dimer formation occurs at the folding/ unfolding temperature of the monomer ( T-f). It is also shown that transitions, leading to a dimer, involve the presence of two intermediates, one of them has a dimeric form and the other is monomeric; the latter is much more populated than the former. However, at temperatures lower than T-f, the population of intermediates decreases. It is argued that the two folded forms may coexist in absence of intermediates at a temperature much lower than T-f. Computational simulations enable us to find a mechanism, `` lock- and- dock'', for domain swapping of p13suc1. To explore the route toward dimer formation, the folding of unstructured monomers must be retarded by first locking one of the free ends of each chain. Then, the other free termini could follow and dock at particular regions, where most intrachain contacts are formed, and thus de. ne the transition states of the dimer. The simulations also showed that a decrease in the maximum distance between monomers increased their stability, which is explained based on confinement arguments. Although the simulations are based on models extracted from the native structure of the monomer and the dimer of p13suc1, the mechanism of the domain- swapping process could be general, not only for p13suc1.

GENERAL POTENTIALS DESCRIBED BY SO(2,1) DYNAMIC ALGEBRA IN PARABOLIC-COORDINATE SYSTEMS

We propose general three-dimensional potentials in rotational and cylindrical parabolic coordinates which are generated by direct products of the SO(2, 1) dynamical group. Then we construct their Green functions algebraically and find their spectra. Particular cases of these potentials which appear in the literature are also briefly discussed.

THE ALGEBRA OF NONLOCAL CHARGES IN NONLINEAR SIGMA-MODELS

We obtain the exact classical algebra obeyed by the conserved non-local charges in bosonic non-linear sigma models. Part of the computation is specialized for a symmetry group O(N). As it turns out the algebra corresponds to a cubic deformation of the Kac-Moody algebra. We generalize the results for the presence of a Wess-Zumino term. The algebra is very similar to the previous one, now containing a calculable correction of order one unit lower. The relation with Yangians and the role of the results in the context of Lie-Poisson algebras are also discussed.

Computational Aspects of the Calculation of Isometry Groups in General Relativity

We describe the ideas behind the package 'isometry', implemented in Maple to calculate isometry groups of dimensions 2, 3 and 4 in General Relativity. The package extends the functionality of previous programs written to perform invariant classification of space-times in General Relativity. Programming solutions used to surmount problems encountered with the calculation of eigenvectors and the determination of the signs of expressions are described. We also show how the package can be used to find the Killing vectors of a space-time.

A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Exploring the binding mechanism of Guaijaverin to human serum albumin: Fluorescence spectroscopy and computational approach

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The Dirac equation in a non-Riemannian manifold. I. An analysis using the complex algebra

The Dirac wave equation is obtained in the non-Riemannian manifold of the Einstein-Schrödinger nonsymmetric theory. A new internal connection is determined in terms of complex vierbeins, which shows the coupling of the electromagnetic potential with gravity in the presence of a spin-1/2 field. © 1988 American Institute of Physics.

Higher spin symmetries and w∞ algebra in the conformal affine Toda model

As recently shown the conformal affine Toda models can be obtained via hamiltonian reduction from a two-loop Kac-Moody algebra. In this paper we propose a systematic procedure to analyze the higher spin symmetries of the conformal affine Toda models. The method is based on an explicit construction of infinite towers of extended conformal symmetry generators. Two fundamental building blocks of this construction are special spin-one and -two primary fields characterizing the conformal structure of these models. The connection to the algebra of area preserving diffeomorphisms on a two-manifold (w∞ algebra) is established.

Further on the current algebra of WZNW models at and away from criticality

We comment on the off-critical perturbations of WZNW models by a mass term as well as by another descendent operator, when we can compare the results with further algebra obtained from the Dirac quantization of the model, in such a way that a more general class of models be included. We discover, in both cases, hidden Kac-Moody algebras obeyed by some currents in the off-critical case, which in several cases are enough to completely fix the correlation functions.

So(2,1) Lie algebra and the Green's functions for the conditionally exactly solvable potentials

The Green's functions of the recently discovered conditionally exactly solvable potentials are computed. This is done through the use of a second-order differential realization of the so(2,1) Lie algebra. So we present the dynamical symmetry underlying the solvability of such potentials and show that they belong to a general class of solvable and partially solvable potentials. © 1994 The American Physical Society.

A free relativistic anyon with canonical spin algebra

We discuss a relativistic free particle with fractional spin in 2+1 dimensions, where the dual spin components satisfy the canonical angular momentum algebra {Sμ, Sν} = εμνγSγ. It is shown that it is a general consequence of these features that the Poincaré invariance is broken down to the Lorentz one, so indicating that it is not possible to keep simultaneously the free nature of the anyon and the translational invariance.

Closed expressions for Lie algebra invariants and finite transformations

A simple procedure to obtain complete, closed expressions for Lie algebra invariants is presented. The invariants are ultimately polynomials in the group parameters. The construction of finite group elements requires the use of projectors, whose coefficients are invariant polynomials. The detailed general forms of these projectors are given. Closed expressions for finite Lorentz transformations, both homogeneous and inhomogeneous, as well as for Galilei transformations, are found as examples.

Ramond-ramond central charges in the supersymmetry algebra of the superstring

The free action for the massless sector of the type II superstring was recently constructed using closed Ramond-Neveo-Schwarz superstring field theory. The supersymmetry transformations of this action are shown to satisfy an N = 2 D = 10 supersymmetry algebra with Ramond-Ramond central charges.