Fischer--Tropsch, hydrotreating and superClaus catalysts

In modern society the application of catalysts, and hence, research in the field of catalysis, is becoming more and more important. In the strongly increasing chemical industry most reaction processes are performed with the aid of catalysts. Knowledge about the structure of the active sites present at the surface of catalysts will facilitate the design of new catalysts with better performances. Such knowledge can be obtained by Mössbauer spectroscopy, which is an excellent in-situ characterization technique due to the high penetrating power of the γ-radiation used and the sensitivity of the spectral parameters for the chemical state and local environment of the Mössbauer atoms.     

Picosecond control of coherent magnetisation dynamics in permalloy thin films by picosecond magnetic field pulse shaping

We have measured the response of a 20×10 μm, 8 nm thin NiFe (80:20) permalloy film due to excitation by short in-plane magnetic field pulses. We will show that using a two-pulse-technique a complete control of the precessional motion of the magnetisation can be achieved on picosecond timescales. Furthermore, we will present numerical calculations which show that a complete suppression of magnetisation ringing after switching can only be realised by a cascade of short field pulses.     

Maximum-entropy data analysis

The reconstruction of physical quantities from (computer-) experimental data is very often hampered by the presence of noise, insufficient information and above all by the ill-posed nature of the underlying inversion problem. It will be demonstrated that the maximum entropy concepts is particularly suited for this type of data-analysis problems. It is based on Bayesian statistics and provides a consistent probabilistic theory to obtain unbiased results, independent of any model assumptions. This is particularly desirable if there is no additional information to justify these hypotheses. If, on the other hand, additional prior knowledge is available, it can be effectively incorporated into the computation, leading to more stringent confidence intervals.     

Shape transition from InAs quantum dash to quantum dot on InP(3 1 1)A

We report on the shape transition from InAs quantum dashes to quantum dots (QDs) on lattice-matched GaInAsP on InP(3 1 1)A substrates. InAs quantum dashes develop during chemical-beam epitaxy of 3.2 monolayers InAs, which transform into round InAs QDs by introducing a growth interruption without arsenic flux after InAs deposition. The shape transition is solely attributed to surface properties, i.e., increase of the surface energy and symmetry under arsenic deficient conditions. The round QD shape is maintained during subsequent GaInAsP overgrowth because the reversed shape transition from dot to dash is kinetically hindered by the decreased ad-atom diffusion under arsenic flux.     

A Tin(IV) Porphyrin with Two Axial Organometallic NCN‐Pincer Platinum Units

A tin(IV) porphyrin was combined with two axial NCN‐pincer platinum(II) fragments by utilizing the oxophilicity of the apical positions on the tin atom and the acidic nature of the NCN‐pincer platinum derived benzoic acid. The solid‐state structure determined by X‐ray crystallography revealed some close contacts between the pincer complexes and the meso‐p‐tolyl subsitutents of the porphyrin. It was shown by ¹H NMR spectroscopy that these close contacts were not present in solution and that this compound can potentially act as a novel building block for supramolecular architectures.     

Artificial time integration

Many recent algorithmic approaches involve the construction of a differential equation model for computational purposes, typically by introducing an artificial time variable. The actual computational model involves a discretization of the now time-dependent differential system, usually employing forward Euler. The resulting dynamics of such an algorithm is then a discrete dynamics, and it is expected to be “close enough” to the dynamics of the continuous system (which is typically easier to analyze) provided that small – hence many – time steps, or iterations, are taken. Indeed, recent papers in inverse problems and image processing routinely report results requiring thousands of iterations to converge. This makes one wonder if and how the computational modeling process can be improved to better reflect the actual properties sought. In this article we elaborate on several problem instances that illustrate the above observations. Algorithms may often lend themselves to a dual interpretation, in terms of a simply discretized differential equation with artificial time and in terms of a simple optimization algorithm; such a dual interpretation can be advantageous. We show how a broader computational modeling approach may possibly lead to algorithms with improved efficiency. AMS subject classification (2000)  65L05, 65M32, 65N21, 65N22, 65D18     

Writhing instabilities of twisted rods: from infinite to finite length

We use three different approaches to describe the static spatial configurations of a twisted rod as well as its stability during rigid loading experiments. The first approach considers the rod as infinite in length and predicts an instability causing a jump to self-contact at a certain point of the experiment. Semi-finite corrections, taken into account as a second approach, reveal some possible experiments in which the configuration of a very long rod will be stable through out. Finally, in a third approach, we consider a rod of real finite length and we show that another type of instability may occur, leading to possible hysteresis behavior. As we go from infinite to finite length, we compare the different information given by the three approaches on the possible equilibrium configurations of the rod and their stability. These finite size effects studied here in a 1D elasticity problem could help us guess what are the stability features of other more complicated (2D elastic shells for example) problems for which only the infinite length approach is understood.