Reducing Huge Gyroscopic Eigenproblems by Automated Multi-level Substructuring

Simulating numerically the sound radiation of a rolling tire requires the solution of a very large and sparse gyroscopic eigenvalue problem. Taking advantage of the automated multi-level substructuring (AMLS) method it can be projected to a much smaller gyroscopic problem, the solution of which however is still quite costly since the eigenmodes are non-real and complex arithmetic is necessary. This paper discusses the application of AMLS to huge gyroscopic problems and the numerical solution of the AMLS reduction. A numerical example demonstrates the efficiency of AMLS.     

Evaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic data

Due to their position-dependent exact exchange admixture, local hybrid functionals offer a higher flexibility and thus the potential for more universal and accurate exchange correlation functionals compared to global hybrids with a constant admixture, as has been demonstrated in previous work. Yet, the local hybrid constructions used so far do not account for the inclusion of dispersion-type interactions. As a first exploratory step toward a more general approach that includes van der Waals-type interactions with local hybrids, the present work has added DFT-D3-type corrections to a number of simple local hybrid functionals. Optimization of only the s(8) and s(r,6) parameters for the S22 set provides good results for weak interaction energies but deteriorates the excellent performance of the local hybrids for G3 atomization energies and for classical reaction barriers. A combined optimization of the two DFT-D3 parameters with one of the two parameters of the spin-polarized local mixing function (LMF) of a local hybrid for a more general optimization set provides simultaneously accurate dispersion energies, improved atomization energies, and accurate reaction barriers, as well as excellent alkane protobranching ratios. For other LMFs, the improvements of such a combined optimization for the S22 energies have been less satisfactory. The most notable advantage of the dispersion-corrected local hybrids over, for example, a B3LYP-D3 approach, is in the much more accurate reaction barriers.     

A comprehensive PIV measurement campaign on a fully equipped helicopter model

The flow field around a helicopter is characterised by its inherent complexity including effects of fluid?Cstructure interference, shock?Cboundary layer interaction, and dynamic stall. Since the advancement of computational fluid dynamics and computing capabilities has led to an increasing demand for experimental validation data, a comprehensive wind tunnel test campaign of a fully equipped and motorised generic medium transport helicopter was conducted in the framework of the GOAHEAD project. Different model configurations (with or without main/tail rotor blades) and several flight conditions were investigated. In this paper, the results of the three-component velocity field measurements around the model are surveyed. The effect of the interaction between the main rotor wake and the fuselage for cruise/tail shake flight conditions was analysed based on the flow characteristics downstream from the rotor hub and the rear fuselage hatch. The results indicated a sensible increment of the intensity of the vortex shedding from the lower part of the fuselage and a strong interaction between the blade vortex filaments and the wakes shed by the rotor hub and by the engine exhaust areas. The pitch-up phenomenon was addressed, detecting the blade tip vortices impacting on the horizontal tail plane. For high-speed forward flight, the shock wave formation on the advancing blade was detected, measuring the location on the blade chord and the intensity. Furthermore, dynamic stall on the retreating main rotor blade in high-speed forward flight was observed at r/R?=?0.5 and 0.6. The analysis of the substructures forming the dynamic stall vortex revealed an unexpected spatial concentration suggesting a rotational stabilisation of large-scale structures on the blade.     

Stereoselective synthesis of anti-1,4-diols by a BH3.THF-mediated rearrangement of 1,2-disubstituted cyclobutenes

A new stereoselective rearrangement of cyclobutylboranes, obtained by the hydroboration of 1,2-disubstituted cyclobutenes, provides anti-1,4-diols with good-to-excellent diastereoselectivity. The mechanism of the rearrangement is discussed based on theoretical calculations.     

Interplay between Coulomb interaction and quantum-confined Stark-effect in polar and nonpolar wurtzite InN/GaN quantum dots

In this paper we systematically analyze the electronic structures of polar and nonpolar wurtzite-InN/GaN quantum dots and their modification due to the quantum-confined Stark effect caused by intrinsic fields. This is achieved by combining continuum elasticity theory with an effective-bond orbital model to describe the elastic and single-particle electronic properties in these nitride systems. Based on these results, a many-body treatment is used to determine optical absorption spectra. The efficiency of optical transitions depends on the interplay between the Coulomb interaction and the quantum-confined Stark effect. We introduce an effective confinement potential which represents the electronic structure under the influence of the intrinsic polarization fields and calculate the needed strength of Coulomb interaction to diminish the separation of electrons and holes.     

On the Duality of Semiantichains and Unichain Coverings

We study a min-max relation conjectured by Saks and West: For any two posets P and Q the size of a maximum semiantichain and the size of a minimum unichain covering in the product P×Q are equal. As a positive result, we state conditions on P and Q that imply the min-max relation. Based on these conditions we identify some new families of posets where the conjecture holds and get easy proofs for several instances where the conjecture had been verified before. However, we also have examples showing that in general the min-max relation is false, i.e., we disprove the Saks-West conjecture.