A meshless finite point method for three‐dimensional analysis of compressible flow problems involving moving boundaries and adaptivity

A finite point method for solving compressible flow problems involving moving boundaries and adaptivity is presented. The numerical methodology is based on an upwind‐biased discretization of the Euler equations, written in arbitrary Lagrangian–Eulerian form and integrated in time by means of a dual‐time steeping technique. In order to exploit the meshless potential of the method, a domain deformation approach based on the spring network analogy is implemented, and h‐adaptivity is also employed in the computations. Typical movable boundary problems in transonic flow regime are solved to assess the performance of the proposed technique. In addition, an application to a fluid–structure interaction problem involving static aeroelasticity illustrates the capability of the method to deal with practical engineering analyses. The computational cost and multi‐core performance of the proposed technique is also discussed through the examples provided. Copyright © 2013 John Wiley & Sons, Ltd.     

The new frozen spin target at MAMI

The new frozen spin polarized target for experiments at the polarized beam of the real photon facility A2 of the MAMI accelerator is described. The A2-collaboration at the Mainz Microtron MAMI is measuring photon absorption cross section using circularly and linearly polarized photons up to the energy of 1.5 GeV. The photons are produced in the’ Bremsstrahlungs’ process. In the years 2005/2006 the Crystal Ball detector with its unique capability to cope with multi photon final states was set up in Mainz. Since 2010 the experimental apparatus has been completed by a polarized target. The horizontal dilution refrigerator of the Frozen-Spin Target has been constructed and is operated in close cooperation with the Joint Institute for Nuclear Research in Dubna, Russia. The system offers the opportunity to provide longitudinally and transversely polarized protons and deuteron. In this paper the operation experience of this new Frozen-Spin Target and first results from the runs in 2010 and 2011 are presented.     

Application of the finite point method to high‐Reynolds number compressible flow problems

In this work, the finite point method is applied to the solution of high‐Reynolds compressible viscous flows. The aim is to explore this important field of applications focusing on two main aspects: the easiness and automation of the meshless discretization of viscous layers and the construction of a robust numerical approximation in the highly stretched clouds of points resulting in such domain areas. The flow solution scheme adopts an upwind‐biased scheme to solve the averaged Navier–Stokes equations in conjunction with an algebraic turbulence model. The numerical applications presented involve different attached boundary layer flows and are intended to show the performance of the numerical technique. The results obtained are satisfactory and indicative of the possibilities to extend the present meshless technique to more complex flow problems. Copyright © 2014 John Wiley & Sons, Ltd.     

Anomeric effect in pyranose-ring derivatives containing carbon,silicon, and germanium as anomeric centers: an ab initio systematic study

Structural Chemistry - We have performed a systematic conformational analysis focused on the evaluation of the anomeric effect (AE) in a series of pyranose derivatives containing carbon, silicon,...     

Synthesis and structural study of ethylmethylsilanediol by quantum chemical calculations and IR and Raman spectroscopies

The intrinsic instability of small alkylsilanediols and their propensity toward self-condensation have been the main determiners of the scarce number of experimental works dealing with their synthesis and vibrational characterization. This is the case of the title compound, ethylmethylsilanediol (EMSD), which preparation and purification is, to the best of our knowledge, firstly reported in the present work. Hence, we also report the first records of the IR and Raman spectra of the molecule that have been thoroughly analyzed and completely assigned with the support of DFT calculations. Further, as a previous step of the vibrational assignment, we accomplished a thorough conformational analysis that allowed indentifying five conformations that represent minima on the potential energy surface (PES) of the molecule, depending on the different arrangement that both, the alkyl side chain and the –OH groups, can adopt. Finally, natural bond orbital (NBO) calculations were implemented to justify the stability order and the calculated geometries for the set of conformers in terms of the stabilization derived from the anomeric effect.     

The Roles of Composition and Mesostructure of Cobalt-Based Spinel Catalysts in Oxygen Evolution Reactions

By using the crystalline precursor decomposition approach and direct co-precipitation the composition and mesostructure of cobalt-based spinels can be controlled. A systematic substitution of cobalt with redox-active iron and redox-inactive magnesium and aluminum in a cobalt spinel with anisotropic particle morphology with a preferred 111 surface termination is presented, resulting in a substitution series including Co₃O₄, MgCo₂O₄, Co₂FeO₄, Co₂AlO₄ and CoFe₂O₄. The role of redox pairs in the spinels is investigated in chemical water oxidation by using ceric ammonium nitrate (CAN test), electrochemical oxygen evolution reaction (OER) and H₂O₂ decomposition. Studying the effect of dominant surface termination, isotropic Co₃O₄ and CoFe₂O₄ catalysts with more or less spherical particles are compared to their anisotropic analogues. For CAN-test and OER, Co³⁺ plays the major role for high activity. In H₂O₂ decomposition, Co²⁺ reveals itself to be of major importance. Redox active cations in the structure enhance the catalytic activity in all reactions. A benefit of a predominant 111 surface termination depends on the cobalt oxidation state in the as-prepared catalysts and the investigated reaction.     

Emergence of the sub‐THz central peak at phase transitions in artificial BaTiO3/(Ba,Sr)TiO3 superlattices

A prominent central peak in the sub‐THz frequency range was observed in the Raman spectra of BaTiO₃/(Ba,Sr)TiO₃ (BT/BST) superlattice grown on (001)MgO substrate. Both soft and central mode show an anomaly around 200 K and 280 K, which can be correlated with orthorhombic to monoclinic phase transition of BST and BT, respectively. The observed temperature dependence of the central mode enabled us to explain rather broad temperature dependence of the dielectric permittivity previously observed in BT/BST superlattices. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)