Das Schwingungsspektrum von Magnesium-orthovanadat

The infrared and laser-Raman spectra of crystalline Mg₃(VO₄)₂ are reported and a factor group analysis for the full lattice is presented to support the discussion. The 1,000 to 600 cm^?1 region of the spectrum is essentially related to internal (stretching) modes of the greatly distorted VO₄ tetrahedra, whereas the bands in the low frequency region must be assigned to complex vibrations originating in the interaction of the bending vibrations of the tetrahedral groups with the external modes.     

Nanoscratch-induced deformation behaviour in B4C particle reinforced ultrafine grained Al alloy composites: a novel diagnostic approach

We report on the novel application of nanoscratch characterization to provide insight into the plasticity mechanisms responsible for the behaviour of composites. Accordingly, we conduct deformation characterization with nanoscratch testing (DCNT) to study the deformation behaviour of two B₄C reinforced ultrafine grained Al alloy tri-modal composites with average B₄C particle sizes of ~1–6?μm and ~500?nm, respectively. To highlight the type of mechanistic information revealed in a DCNT study of composites, we concentrate on the influence of B₄C particle size on deformation mechanisms.     

Effect of Concentration on the Photophysics of Dyes in Light‐Scattering Materials.

Photoactive materials based on dye molecules incorporated into thin films or bulk solids are useful for applications as photosensitization, photocatalysis, solar cell sensitization and fluorescent labeling, among others. In most cases, high concentrations of dyes are desirable to maximize light absorption. Under these circumstances, the proximity of dye molecules leads to the formation of aggregates and statistical traps, which dissipate the excitation energy and lower the population of excited states. The search for enhancement of light collection, avoiding energy wasting requires accounting the photophysical parameters quantitatively, including the determination of quantum yields, complicated by the presence of light scattering when particulate materials are considered. In this work we summarize recent advances on the photophysics of dyes in light‐scattering materials, with particular focus on the effect of dye concentration. We show how experimental reflectance, fluorescence and laser‐induced optoacoustic spectroscopy data can be used together with theoretical models for the quantitative evaluation of inner filter effects, fluorescence and triplet formation quantum yields and energy transfer efficiencies.     

Achiral diacrylate with an anticlinic smectic phase

We present an achiral diacrylate that shows a phase transition from the synclinic smectic C phase (SmC) to the anticlinic smectic C (SmCalt). This last phase has been previously reported only for swallow-tailed or dimeric compounds. Our studies using differential scanning calorimetry, X-ray diffraction, polarizing optical microscopy and broad band dielectric spectroscopy suggest the existence of this mesophase in this bifunctional smectogen.     

The contribution of K.-H. Elster to generalized conjugation theory and nonconvex duality

This article surveys the main contributions of K.-H. Elster to the theory of generalized conjugate functions and its applications to duality in nonconvex optimization.     

Black hole entropy quantization

Ever since the pioneering works of Bekenstein and Hawking, black hole entropy has been known to have a quantum origin. Furthermore, it has long been argued by Bekenstein that entropy should be quantized in discrete (equidistant) steps given its identification with horizon area in (semi-)classical general relativity and the properties of area as an adiabatic invariant. This lead to the suggestion that the black hole area should also be quantized in equidistant steps to account for the discrete black hole entropy. Here we shall show that loop quantum gravity, in which area is not quantized in equidistant steps, can nevertheless be consistent with Bekenstein's equidistant entropy proposal in a subtle way. For that we perform a detailed analysis of the number of microstates compatible with a given area and show consistency with the Bekenstein framework when an oscillatory behavior in the entropy-area relation is properly interpreted.     

The turnpike property in finite-dimensional nonlinear optimal control

Turnpike properties have been established long time ago in finite-dimensional optimal control problems arising in econometry. They refer to the fact that, under quite general assumptions, the optimal solutions of a given optimal control problem settled in large time consist approximately of three pieces, the first and the last of which being transient short-time arcs, and the middle piece being a long-time arc staying exponentially close to the optimal steady-state solution of an associated static optimal control problem. We provide in this paper a general version of a turnpike theorem, valuable for nonlinear dynamics without any specific assumption, and for very general terminal conditions. Not only the optimal trajectory is shown to remain exponentially close to a steady-state, but also the corresponding adjoint vector of the Pontryagin maximum principle. The exponential closedness is quantified with the use of appropriate normal forms of Riccati equations. We show then how the property on the adjoint vector can be adequately used in order to initialize successfully a numerical direct method, or a shooting method. In particular, we provide an appropriate variant of the usual shooting method in which we initialize the adjoint vector, not at the initial time, but at the middle of the trajectory.     

First passage percolation and escape strategies

Consider first passage percolation on with passage times given by i.i.d. random variables with common distribution F. Let be the time from u to v for a path π and the minimal time among all paths from u to v. We ask whether or not there exist points and a semi‐infinite path such that for all n. Necessary and sufficient conditions on F are given for this to occur. When the support of F is unbounded, we also obtain results on the number of edges with large passage time used by geodesics. © 2014 Wiley Periodicals, Inc. Random Struct. Alg., 47, 414–423, 2015     

A study of coronene—coronene association using atom—atom pair potentials

A study of the coronene—coronene association using different interaction potentials based on an atom-atom pair potential proposed by Fraga has been performed. The interaction potentials employed differ in the way the electrostatic and/or dispersion contributions are computed. The influence of both contributions on the geometries predicted for the coronene dimer is discussed in order to analyze the effectiveness of the different interaction potentials. The stationary points found in each interaction energy hypersurface are characterized by calculating the Hessian eigenvalues. Results are discussed in the light of those previously reported for the benzene dimer. Stacked-displaced structures are suggested to be the preferred conformations for the coronene—coronene association. © 1996 John Wiley & Sons, Inc.