Stereoisomeric flavor compounds,part LVIII: The use of heptakis(2,3-di-O-methyl-6-O-tert-butyldimethylsilyl)-β-cyclodextrin as a chiral stationary phase in flavor analysis

The characteristics of the new chiral stationary phase heptakis(2,3-di-O-methyl-6-O-tert-butyldimethylsilyl)-β-cyclodextrin are outlined and compared with permethyl- and perethyl-β-cyclodextrins.     

Parallel simulation of large scale multibody systems

Virtual prototyping plays an ever increasing role in the engineering disciplines. Nowadays, engineers can rely on powerful tools like object oriented modeling languages, e.g., Modelica. Models written in this language can be simulated by open source software as well as commercial tools. The advantage of this approach is that the engineers can concentrate themselves on modeling, whereas the numerical intricacies of the simulation are handled by the software. On the other hand the simulations are usually slower than implementations which are parallelized and optimized manually. This can lead to computation times which are infeasible in practice, e.g., when a real time simulation is necessary for a hardware-in-the-loop simulation. In this contribution we are concerned with speeding up such automated simulations by parallelization (on desktop hardware as well as HPC systems). We examine the parallelism across the system approaches. Additionally, the influence of the problem formulation on the simulation time is discussed. The implemented methods are demonstrated on engineering examples. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

An adaptive multi-start graph partitioning algorithm for structuring cellular networks

In mobile network design, the problem of assigning network elements to controllers when defining network structure can be modeled as a graph partitioning problem. In this paper, a comprehensive analysis of a sophisticated graph partitioning algorithm for grouping base stations into packet control units in a mobile network is presented. The proposed algorithm combines multi-level and adaptive multi-start schemes to obtain high quality solutions efficiently. Performance assessment is carried out on a set of problem instances built from measurements in a live network. Overall results confirm that the proposed algorithm finds solutions better than those obtained by the classical multi-level approaches and much faster than classical multi-start approaches. The analysis of the optimization surface shows that the best local minima values follow a Gumbel distribution, which justifies the stagnation of naive multi-start approaches after a few attempts. Likewise, the analysis shows that the best local minima share strong similarities, which is the reason for the superiority of adaptive multi-start approaches. Finally, a sensitivity analysis shows the best internal parameter settings in the algorithm.     

Intertwining Maps from Certain Group Algebras

In [17, 18, 19], we began to investigate the continuity propertiesof homomorphisms from (non-abelian) group algebras. Alreadyin [19], we worked with general intertwining maps [3, 12]. Thesemaps not only provide a unified approach to both homomorphismsand derivations, but also have some significance in their ownright in connection with the cohomology comparison problem [4]. The present paper is a continuation of [17, 18, 19]; this timewe focus on groups which are connected or factorizable in thesense of [26]. In [26], G. A. Willis showed that if G is a connectedor factorizable, locally compact group, then every derivationfrom L¹(G) into a Banach L¹(G)-module is automatically continuous.For general intertwining maps from L¹(G), this conclusion isfalse: if G is connected and, for some nN, has an infinite numberof inequivalent, n-dimensional, irreducible unitary representations,then there is a discontinuous homomorphism from L¹(G into aBanach algebra by [18, Theorem 2.2] (provided that the continuumhypothesis is assumed). Hence, for an arbitrary intertwiningmap from L¹(G), the best we can reasonably hope for is a resultasserting the continuity of on a ‘large’, preferablydense subspace of L¹(G). Even if the target space of is a Banachmodule (which implies that the continuity ideal I() of is closed),it is not a priori evident that is automatically continuous:the proofs of the automatic continuity theorems in [26] relyon the fact that we can always confine ourselves to restrictionsto L¹(G) of derivations from M(G) [25, Lemmas 3.1 and 3.4].It is not clear if this strategy still works for an arbitraryintertwining map from L¹(G) into a Banach L¹(G)-module.     

Numerical methods for the simulation of a coalescence-driven droplet size distribution

The droplet size distribution in a turbulent flow field is considered and modeled by means of a population balance system. This paper studies different numerical methods for the 4D population balance equation and their impact on an output of interest, the time-space-averaged droplet size distribution at the outlet, which is known from experiments. These methods include different interpolations of the experimental data at the inlet, various discretizations in time and space, and different schemes for computing the coalescence integrals. It will be shown that noticeable changes in the output of interest might occur. In addition, the computational efficiency of the studied methods is discussed.     

Theory and computer simulation of tweed texture

Abstract

An analytical theory of the ordering interaction J(R _ij ) in structural phase transitions mediated by elastic relaxation in the material is outlined. The ordering process in cell i sets up a local stress field due to the sizes, shapes or displacements of atoms or atomic groups, which is propagated elastically to a distant cell j. The atomistic theory for ferro- and antiferro-elastic transitions takes into account two types of singularity, one due to elastic anisotropy and the other to the Zener interaction J _z of infinite range in ferroelastic transitions. The form of J _k in Fourier space is highly anisotropic with a few “soft” directions coinciding with the orientation of twin boundaries. The asymptoptic J(R) at large R is shown to be very anisotropic as well and decays as R ^?3 in ferroelastic and R ^?5 in antiferroelastic systems.

Computer simulations for a three-dimensional model of about 29,000 particles show a strong tendency to form tweed texture, as observed experimentally. Well above the structural phase transition temperature, the strain fluctuations show well-developed embryos of the tweed texture. On quenching to below the transition temperature, a pronounced micro-twinning appears which follows almost exactly the shape of the embryos and then develops towards a stripe texture. After a certain time needle-shaped domains are formed and a peculiar step-wise process of generating new stripes is observed.