Development of numerical techniques for near-field aeroacoustic computations

This work is concerned with the development of a numerical scheme capable of producing accurate simulations of sound propagation in the presence of a mean flow field. The method is based on the concept of variable decomposition, which leads to two separate sets of equations. These equations are the linearised Euler equations and the Reynolds-averaged Navier–Stokes equations. This paper concentrates on the development of numerical schemes for the linearised Euler equations that leads to a computational aeroacoustics (CAA) code. The resulting CAA code is a non-diffusive, time- and space-staggered finite volume code for the acoustic perturbation, and it is validated against analytic results for pure 1D sound propagation and 2D benchmark problems involving sound scattering from a cylindrical obstacle. Predictions are also given for the case of prescribed source sound propagation in a laminar boundary layer as an illustration of the effects of mean convection. Copyright © 1999 John Wiley & Sons, Ltd.

Three-phase computations of the continuous casting process

In this paper, the continuous casting process for steel slab production is modelled using a mult-physics approach. For this purpose, a Finite Volume (FV) numerical model was constructed in 3D, with the following characteristics: Time dependent, turbulent fluid flow and heat transfer in the molten steel and flux regions, solidification of the skin layer, under prescribed heat loss boundary conditions, particle tracking simulation of argon bubbles injected with the metal into the mould, full coupling between bubbles and liquid through buoyancy and interfacial forces using a novel gas accumulation technique, and a full transient simulation of flux-metal interface behaviour under the influence of gravity and fluid inertial forces and bubble plume buoyancy. The unstructure mesh FV code PHYSICA developed at Greenwich was used for carry out the simulations with physical process data and properties supplied by IRSID SA.

Phase-accuracy comparisons and improved far-field estimates for 3-D edge elements on tetrahedral meshes

Edge-element methods have proved very effective for 3-D electromagnetic computations and are widely used on unstructured meshes. However, the accuracy of standard edge elements can be criticised because of their low order. This paper analyses discrete dispersion relations together with numerical propagation accuracy to determine the effect of tetrahedral shape on the phase accuracy of standard 3-D edgeelement approximations in comparison to other methods. Scattering computations for the sphere obtained with edge elements are compared with results obtained with vertex elements, and a new formulation of the far-field integral approximations for use with edge elements is shown to give improved cross sections over conventional formulations.

Magnetic levitation fluid dynamics

This work is concerned with the accurate computation of flow in a rapidly deforming liquid metal droplet, suspended in an AC magnetic field. Intense flow motion due to the induced electromagnetic force distorts dynamically the droplet envelope, which is initially spherical. The relative positional change between the liquid metal surface and the surrounding coil means that fluid flow and magnetic field computations need to be closely coupled. A spectral technique is used to solve this problem, which is assumed axisymmetric. The computed results are compared against a physical experiment and "ideal sphere" analytic solutions. A comparison between the "magnetic pressure" approximation and the full electromagnetic force solutions, shows fundamental differences; the full electromagnetic force solution is necessary for accurate results in most practical applications of this technique. The physical reason for the fundamental discrepancy is the difference in the electromagnetic force representation: only the gradient part of the full force is accounted for in the "magnetic pressure" approximation. Figs 9, Refs 13.

Dynamics of magnetically suspended fluid

Magnetic suspension is a technique for processing pure or reactive materials without contact to walls. This work is concerned with the flow in the rapidly deforming liquid volume, suspended in an AC magnetic field. Intense flow motion due to the induced electromagnetic force distorts dynamically the droplet envelope. The relative positional change between the liquid surface and the surrounding coil means that fluid flow and magnetic field computations need to be closely coupled. The computed results are compared against a physical experiment and nearly spherical analytic solutions. A comparison between the "magetic pressure" approximation and the full electromagnetic force solutions shows fundamental differences; the full electromagnetic force is necessary for accurate results in most practical applications of this technique. The physical reason for the fundamental discrepancy is the difference in the electromagnetic force representation: only the gradient part of the full force is accounted for in the "magnetic pressure" approximation.

Multi-physics-multi-scale simulation and optimisation: the next generation

FEA and CFD analysis is becoming ever more complex with an emerging demand for simulation software technologies that can address ranges of problems that involve combinations of interactions amongst varying physical phenomena over a variety of time and length scales. Computation modelling of such problems requires software technologies that enable the representation of these complex suites of 'physical' interactions. This functionality requires the structuring of simulation modules for specific physical phemonmena so that the coupling can be effectiely represented. These 'multi-physics' and 'multi-scale' computations are very compute intensive and so the simulation software must operate effectively in parallel if it is to be used in this context. Of course the objective of 'multi-physics' and 'multi-scale' simulation is the optimal design of engineered systems so optimistation is an important feature of such classes of simulation. In this presentation, a multi-disciplinary approach to simulation based optimisation is described with some key examples of application to challenging engineering problems.

Automatic relative debugging of OpenMP programs

In this work we show how automatic relative debugging can be used to find differences in computation between a correct serial program and an OpenMP parallel version of that program that does not yield correct results. Backtracking and re-execution are used to determine the first OpenMP parallel region that produces a difference in computation that may lead to an incorrect value the user has indicated. Our approach also lends itself to finding differences between parallel computations, where executing with M threads produces expected results but an N thread execution does not (M, N > 1, M ≠ N). OpenMP programs created using a parallelization tool are addressed by utilizing static analysis and directive information from the tool. Hand-parallelized programs, where OpenMP directives are inserted by the user, are addressed by performing data dependence and directive analysis.

Computational modelling of multi-physics and multi-scale processes in parallel

This paper provides an overview of the developing needs for simulation software technologies for the computational modelling of problems that involve combinations of interactions amongst varying physical phenomena over a variety of time and space scales. Computational modelling of such problems requires software tech1nologies that enable the mathematical description of the interacting physical phenomena together with the solution of the resulting suites of equations in a numerically consistent and compatible manner. This functionality requires the structuring of simulation modules for specific physical phenomena so that the coupling can be effectively represented. These multi-physics and multi-scale computations are very compute intensive and the simulation software must operate effectively in parallel if it is to be used in this context. An approach to these classes of multi-disciplinary simulation in parallel is described, with some key examples of application to2 challenging engineering problems.

Novel inclusion complex of ibuprofen tromethamine with cyclodextrins: Physico-chemical characterization

Guest-host interactions of ibuprofen tromethamine salt (Ibu.T) with native and modified cyclodextrins (CyDs) have been investigated using several techniques, namely phase solubility diagrams (PSDs), proton nuclear magnetic resonance (H-1 NMR), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffractometry (XRPD). scanning-electron microscopy (SEM) and molecular mechanics (MM). From the analysis of PSD data (A(L)-type) it is concluded that the anionic tromethamine salt of ibuprofen (pK(a) = 4.55) forms 1: 1 soluble complexes with all CyDs investigated in buffered water at pH 7.0, while the neutral form of Ibu forms an insoluble complex with beta-CyD (B-S-type) in buffered water at pH 2.0. Ibu.T has a lower tendency to complex with beta-CyD (K-11 = 58 M-1 at pH 7.0) compared with the neutral Ibu (K-11 = 4200 M (1)) in water. Complex formation of Ibu.T with beta-CyD (Delta G degrees = -20.4 kJ/mol) is enthalpy driven (Delta H degrees = -22.9 kJ/mol) and is accompanied by a small unfavorable entropy (Delta S degrees = -8.4 J/mol K) change. H-1 NMR studies and MM computations revealed that, on complexation, the hydrophobic central benzene ring of lbu.T and part of the isobutyl group reside within the beta-CyD cavity leaving the peripheral groups (carboxylate, tromethamine and methyl groups) located near the hydroxyl group networks at either rim of beta-CyD. PSD, H-1 NMR, DSC, FT-IR, XRPD, SEM and MM studies confirmed the formation of Ibu.T/beta-CyD inclusion complex in solution and the solid state. (C) 2009 Elsevier B.V. All rights reserved.

A generic strategy for dynamic load balancing of distributed memory parallel computational mechanics using unstructured meshes

A large class of computational problems are characterised by frequent synchronisation, and computational requirements which change as a function of time. When such a problem is solved on a message passing multiprocessor machine [5], the combination of these characteristics leads to system performance which deteriorate in time. As the communication performance of parallel hardware steadily improves so load balance becomes a dominant factor in obtaining high parallel efficiency. Performance can be improved with periodic redistribution of computational load; however, redistribution can sometimes be very costly. We study the issue of deciding when to invoke a global load re-balancing mechanism. Such a decision policy must actively weigh the costs of remapping against the performance benefits, and should be general enough to apply automatically to a wide range of computations. This paper discusses a generic strategy for Dynamic Load Balancing (DLB) in unstructured mesh computational mechanics applications. The strategy is intended to handle varying levels of load changes throughout the run. The major issues involved in a generic dynamic load balancing scheme will be investigated together with techniques to automate the implementation of a dynamic load balancing mechanism within the Computer Aided Parallelisation Tools (CAPTools) environment, which is a semi-automatic tool for parallelisation of mesh based FORTRAN codes.

Parallelisation of ESAUNA within EUROPORT-1: A structured/unstructured aeronautical CFD flow code

General-purpose parallel processing for solving day-to-day industrial problems has been slow to develop, partly because of the lack of suitable hardware from well-established, mainstream computer manufacturers and suitably parallelized application software. The parallelization of a CFD-(computational fluid dynamics) flow solution code is known as ESAUNA. This code is part of SAUNA, a large CFD suite aimed at computing the flow around very complex aircraft configurations including complete aircraft. A novel feature of the SAUNA suite is that it is designed to use either block-structured hexahedral grids, unstructured tetrahedral grids, or a hybrid combination of both grid types. ESAUNA is designed to solve the Euler equations or the Navier-Stokes equations, the latter in conjunction with various turbulence models. Two fundamental parallelization concepts are used—namely, grid partitioning and encapsulation of communications. Grid partitioning is applied to both block-structured grid modules and unstructured grid modules. ESAUNA can also be coupled with other simulation codes for multidisciplinary computations such as flow simulations around an aircraft coupled with flutter prediction for transient flight simulations.

DRAMA: Dynamic re-allocation of meshes for parallel finite element applications

In many areas of simulation, a crucial component for efficient numerical computations is the use of solution-driven adaptive features: locally adapted meshing or re-meshing; dynamically changing computational tasks. The full advantages of high performance computing (HPC) technology will thus only be able to be exploited when efficient parallel adaptive solvers can be realised. The resulting requirement for HPC software is for dynamic load balancing, which for many mesh-based applications means dynamic mesh re-partitioning. The DRAMA project has been initiated to address this issue, with a particular focus being the requirements of industrial Finite Element codes, but codes using Finite Volume formulations will also be able to make use of the project results.