A methodology for high performance computation of fully inhomogeneous turbulent flows

A large‐eddy simulation methodology for high performance parallel computation of statistically fully inhomogeneous turbulent flows on structured grids is presented. Strategies and algorithms to improve the memory efficiency as well as the parallel performance of the subgrid‐scale model, the factored scheme, and the Poisson solver on shared‐memory parallel platforms are proposed and evaluated. A novel combination of one‐dimensional red–black/line Gauss–Seidel and two‐dimensional red–black/line Gauss–Seidel methods is shown to provide high efficiency and performance for multigrid relaxation of the Poisson equation. Parallel speedups are measured on various shared‐distributed memory systems. Validations of the code are performed in large‐eddy simulations of turbulent flows through a straight channel and a square duct. Results obtained from the present solver employing a Lagrangian dynamic subgrid‐scale model show good agreements with other available data. The capability of the code for more complex flows is assessed by performing a large‐eddy simulation of the tip‐leakage flow in a linear cascade. Copyright © 2006 John Wiley & Sons, Ltd.     

Finite-size scaling in a microcanonical ensemble

The finite-size scaling technique is extended to a microcanonical ensemble. As an application, equilibrium magnetic properties of anL×L square lattice Ising model are computed using the microcanonical ensemble simulation technique of Creutz, and the results are analyzed using the microcanonical ensemble finite-size scaling. The computations were done on the multitransputer system of the Condensed Matter Theory Group at the University of Mainz.     

Self-focusing of electromagnetic waves in a magnetoplasma

The steady state self-focusing of a Gaussian electromagnetic beam in a magneto-plasma has been studied. On a short time scale, a non-linearity in the dielectric constant of a plasma appears due to the ponderomotive force. This force in the case of the extraordinary mode has opposite signs forω>ω _c andω<ω _c, whereω _c is the electron cyclotron frequency. The self-focusing due to this effect is predicted at frequencies except forω _c /2<ω<ω _c . The focusing of the ordinary mode is adversely affected by the magnetic field. On a larger time scale, the non-uniform heating of electrons by the beam and the resulting redistribution of the electron density is a source of non-linearity. This non-local non-linearity is several orders of magnitude higher than the ponderomotive non-linearity. We predict self-focusing of the extraordinary mode only above the gyroresonance (ω>ω _c ), while the ordinary mode can be focused at all frequencies.     

Ising thermodynamics on the Sierpinski gasket

We report a calculation of the thermodynamic properties of an Ising system on a fractal lattice, the Sierpinski gasket (SG). The scale-invariant geometry of SG leads to a wider critical region compared to that in translationally invariant systems. We calculate exactly the near-neighbor correlation function and specific heat and discuss their critical behaviour.     

Ligand-induced distortion of a tetranuclear manganese butterfly complex

The reaction of the pentadentate Schiff-base ligand 1,3-bis(salicylideneamino)-2-propanol (salproH3) with [Mn3O(O2CR)6(py)3] (R = Me, Et, But) gives the corresponding tetranuclear manganese product [Mn4O2O2CR)5(salpro)] (4Mn(III)). The syntheses, structure and magnetochemical characterization of these complexes are reported. The structure of the [Mn4(mu3-O)2]8+ is butterfly-like much more closed than in previous complexes with this core as a result of the alkoxide oxygen of the salpro ligand bridging the two wingtip Mn atoms. Variable-temperature, solid-state magnetic susceptibility studies reveal that these complexes possess S = 0 ground state spins. Fitting of the magnetic susceptibility data to the theoretical chiMT vs. T expression derived for a C2v symmetry complex, assuming an isotropic Heisenberg spin-Hamiltonian and using the Van Vleck equation, revealed that the various exchange parameters are all antiferromagnetic, and the core thus experiences spin frustration effects.