Stochastic Visual Interactive Simulation Models

Many writers and practitioners have mentioned the difficulties that result from randomness in visual interactive simulation or animated simulation modelling. This paper discusses the use of VIS to model transient system behaviour, and proposes some approaches to stochastic VIS modelling which may be helpful in overcoming the difficulties.     

On the augmented system approach to sparse least-squares problems

Summary We study the augmented system approach for the solution of sparse linear least-squares problems. It is well known that this method has better numerical properties than the method based on the normal equations. We use recent work by Arioli et al. (1988) to introduce error bounds and estimates for the components of the solution of the augmented system. In particular, we find that, using iterative refinement, we obtain a very robust algorithm and our estimates of the error are accurate and cheap to compute. The final error and all our error estimates are much better than the classical or Skeel's error analysis (1979) indicates. Moreover, we prove that our error estimates are independent of the row scaling of the augmented system and we analyze the influence of the Björck scaling (1967) on these estimates. We illustrate this with runs both on large-scale practical problems and contrived examples, comparing the numerical behaviour of the augmented systems approach with a code using the normal equations. These experiments show that while the augmented system approach with iterative refinement can sometimes be less efficient than the normal equations approach, it is comparable or better when the least-squares matrix has a full row, and is, in any case, much more stable and robust.This author was visiting Harwell and was funded by a grant from the Italian National Council of Research (CNR), Istituto di Elaborazione dell'Informazione-CNR, via S. Maria 46, I-56100 Pisa, ItalyThis author was visiting Harwell from Faculty of Mathematics and Computer Science of the University of Amsterdam     

The six-vertex model eigenvectors as critical limit of the eight-vertex model bethe ansatz

The critical limit of the eight-vertex model eigenvectors obtained by means of the generalized Bethe Ansatz is shown to give the six-vertex eigenvectors as constructed in a previous paper by two of the authors. Furthermore, an explicit mapping is established between these eigenvectors and the usual Bethe Ansatz eigenvectors of the six-vertex model. This allows one to show that the indexv labeling the eight-vertex eigenstates becomes exactly the third component of the total spin in the critical limit.     

FT-EPR and HPLC study of the mechanism of 4-chlorophenol photolysis

The mechanism of 4-chlorophenol (4CP) photolysis was investigated with the aid of Fourier Transform Electron Paramagnetic Resonance (FT-EPR) and pulsed-laser photolysis combined with High Performance Liquid Chromatography (HPLC) detection-of stable (diamagnetic) products. With FT-EPR transient free radicals produced by pulsed-laser excitation of solutions of 4CP in alcohols could be identified. Time profiles of the FT-EPR spectra provided information on reaction kinetics and Chemically Induced Dynamic, Electron Polarization (CIDEP) effects. It was found that 4CP photolysis in alcohols leads to the simultaneous formation of the phenoxyl radical and radicals produced by hydrogen abstraction from the solvent. CIDEP patterns establish that these radicals are formed in a reaction sequence involving a triplet state precursor and radical pair intermediate. Results of earlier transient optical absorption measurements indicate that the triplet precursor must be the carbene 4-oxocyclohexa-2,5-dienylidene. This assignment is supported by the finding that photolysis of quinone diazide in a hydrogen-donating solvent gives the same free radical products as those obtained from 4CP. The formation of the phenoxyl radical intermediate accounts for the finding that photolysis of deoxygenated solutions of 4CP in alcohols gives phenol as stable diamagnetic product. By contrast, photolysis of aerated and deoxygenated aqueous solutions of 4CP produces benzoquinone and hydroquinone as primary products, respectively.     

Quantification of stable minor species in confined flames by cavity ring-down spectroscopy: application to NO

Cavity ring-down spectroscopy (CRDS) is used to measure the NO mole fraction formed in the burnt gases of low-pressure premixed flames. It is shown that the line-of-sight absorption is greatly increased by the contribution of the NO molecules surrounding the burner. This contribution has been quantified by developing a mathematical procedure taking into account the spatial and spectral features of the CRDS measurement. Calculations have been undertaken in the general case of a stable species not consumed in the flame. The most sensitive parameter is the temperature both in the flame and outside the flame. Simulations allow the selection of the best spectroscopic transitions for a given flame (i.e. a given temperature profile), ensuring the weakest influence of the inaccuracy affecting the temperature determination. High quantum states belonging to the A–X (0–1) band of NO have been found to be the most valuable and have led to a NO mole fraction determination with an accuracy of ±13%. NO absorption in the flame was completely masked using the A–X (0–0) band. Finally, the prompt-NO mole fraction formed in a methane/air flame stabilized at 33 Torr is obtained by combining CRDS and laser induced fluorescence techniques. Received: 12 October / Revised version: 1 February 2002 / Published online: 14 March 2002     

A self-organizing network in the weak-coupling limit

We prove the existence of spatially localized ground states of the diffusive Haken model. This model describes a self-organizing network whose elements are arranged on a d-dimensional lattice with short-range diffusive coupling. The network evolves according to a competitive gradient dynamics in which the effects of diffusion are counteracted by a localizing potential that incorporates an additional global coupling term. In the absence of diffusive coupling, the ground states of the system are strictly localized, i.e. only one lattice site is excited. For sufficiently small non-zero diffusive coupling , it is shown analytically that localized ground states persist in the network with the excitations exponentially decaying in space. Numerical results establish that localization occurs for arbitrary values of in one dimension but vanishes beyond a critical coupling _c(d), when d> 1. The one-dimensional localized states are interpreted in terms of instanton solutions of a continuum version of the model.