Total-head measurements in fluctuating flows

Zusammenfassung Es ist eine Methode für die Messung eines schwankenden Staudruckes entwickelt worden. Das Ger?t besteht aus Staurohr, Verbindungsrohr, piezo-elektrischem Druckaufnehmer und elektrischem Filter. Die aerodynamischen, mechanischen und elektrischen Eigenschaften des Systems werden besprochen und eine Eichmethode beschrieben. Das ausgeführte Ger?t besitzt eine nahezu geradlinige Eichkurve bis 800 Hz und eignet sich für die Turbulenzmessungen hinter verschiedenen Gittern. Die Ergebnisse stimmen befriedigend mit Hitzdrahtmessungen überein.

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Laboratorium voor Aero- en Hydrodynamica van de Technische Hogeschool te Delft (Mededeling no. 87).     

On the Motion of a Dynamic System with Minimal Dissipation

The motion of a holonomic scleronomic non-conservative mechanicalsystem with minimal dissipation is considered. As applicationsof the theory several problems are studied in detail.     

High-throughput screening and optimization of photoembossed relief structures

A methodology for the rapid design, screening, and optimization of coating systems with surface relief structures, using a combination of statistical experimental design, high-throughput experimentation, data mining, and graphical and mathematical optimization routines was developed. The methodology was applied to photopolymers used in photoembossing applications. A library of 72 films was prepared by dispensing a given amount of sample onto a chemically patterned substrate consisting of hydrophilic areas separated by fluorinated hydrophobic barriers. Film composition and film processing conditions were determined using statistical experimental design. The surface topology of the films was characterized by automated AFM. Subsequently, models explaining the dependence of surface topologies on sample composition and processing parameters were developed and used for screening a virtual 4000-membered in silico library of photopolymer lacquers. Simple graphical optimization or Pareto algorithms were subsequently used to find an ensemble of formulations, which were optimal with respect to a predefined set of properties, such as aspect ratio and shape of the relief structures.     

Polarization-dependent Goos-Hänchen shift at a graded dielectric interface

We examine the polarization differential Goos-Hänchen beam shift upon total internal reflection, for a graded-index dielectric interface. We find a generic scaling law where the magnitude of this shift depends solely on the product of wavelength and gradient steepness. The analytic results are extended using transmission matrix calculations in cases where the assumptions made to allow analytical treatment might become questionable. Two important cases in this category are: (i) incident angle close to the critical angle and (ii) gradients with an overall thickness of the order of a wavelength. We demonstrate this effect experimentally using a polymer-blend sample with a gradual refractive-index transition induced by diffusion.     

Persistence Properties of Normally Hyperbolic Tori

Near-resonances between frequencies notoriously lead to small denominators when trying to prove persistence of invariant tori carrying quasi-periodic motion. In dissipative systems external parameters detuning the frequencies are needed so that Diophantine conditions can be formulated, which allow to solve the homological equation that yields a conjugacy between perturbed and unperturbed quasi-periodic tori. The parameter values for which the Diophantine conditions are not fulfilled form so-called resonance gaps. Normal hyperbolicity can guarantee invariance of the perturbed tori, if not their quasi-periodicity, for larger parameter ranges. For a 1-dimensional parameter space this allows to close almost all resonance gaps.     

CO2 Activation and Hydrogenation by PtHn− Cluster Anions

Gas phase reactions between PtH_n^? cluster anions and CO₂ were investigated by mass spectrometry, anion photoelectron spectroscopy, and computations. Two major products, PtCO₂H^? and PtCO₂H₃^?, were observed. The atomic connectivity in PtCO₂H^? can be depicted as HPtCO₂^?, where the platinum atom is bonded to a bent CO₂ moiety on one side and a hydrogen atom on the other. The atomic connectivity of PtCO₂H₃^? can be described as H₂Pt(HCO₂)^?, where the platinum atom is bound to a formate moiety on one side and two hydrogen atoms on the other. Computational studies of the reaction pathway revealed that the hydrogenation of CO₂ by PtH₃^? is highly energetically favorable.     

Parallelization of four‐component calculations. I. Integral generation,SCF, and four‐index transformation in the Dirac–Fock package MOLFDIR

The treatment of relativity and electron correlation on an equal footing is essential for the computation of systems containing heavy elements. Correlation treatments that are based on four‐component Dirac–Hartree–Fock calculations presently provide the most accurate, albeit costly, way of taking relativity into account. The requirement of having two expansion basis sets for the molecular wave function puts a high demand on computer resources. The treatment of larger systems is thereby often prohibited by the very large run times and files that arise in a conventional Dirac–Hartree–Fock approach. A possible solution for this bottleneck is a parallel approach that not only reduces the turnaround time but also spreads out the large files over a number of local disks. Here, we present a distributed‐memory parallelization of the program package MOLFDIR for the integral generation, Dirac–Hartree–Fock and four‐index MS transformation steps. This implementation scales best for large AO spaces and moderately sized active spaces. © 2000 John Wiley & Sons, Inc. J Comput Chem 21: 1176–1186, 2000     

Extreme value laws in dynamical systems under physical observables

Extreme value theory for chaotic deterministic dynamical systems is a rapidly expanding area of research. Given a system and a real function (observable) defined on its phase space, extreme value theory studies the limit probabilistic laws obeyed by large values attained by the observable along orbits of the system. Based on this theory, the so-called block maximum method is often used in applications for statistical prediction of large value occurrences. In this method, one performs statistical inference for the parameters of the Generalised Extreme Value (GEV) distribution, using maxima over blocks of regularly sampled observable values along an orbit of the system. The observables studied so far in the theory are expressed as functions of the distance with respect to a point, which is assumed to be a density point of the system’s invariant measure. However, at least with respect to the ambient (usually Euclidean) metric, this is not the structure of the observables typically encountered in physical applications, such as windspeed or vorticity in atmospheric models. In this paper we consider extreme value limit laws for observables which are not expressed as functions of the distance (in the ambient metric) from a density point of the dynamical system. In such cases, the limit laws are no longer determined by the functional form of the observable and the dimension of the invariant measure: they also depend on the specific geometry of the underlying attractor and of the observable’s level sets. We present a collection of analytical and numerical results, starting with a toral hyperbolic automorphism as a simple template to illustrate the main ideas. We then formulate our main results for a uniformly hyperbolic system, the solenoid map. We also discuss non-uniformly hyperbolic examples of maps (Hénon and Lozi maps) and of flows (the Lorenz63 and Lorenz84 models). Our purpose is to outline the main ideas and to highlight several serious problems found in the numerical estimation of the limit laws.