Numerical analysis of high Q-factor photonic-crystal VCSELs with plane-wave admittance method

The paper presents the application of a novel plane-wave admittance method (PWAM) to the three-dimensional and fully vectorial modeling of vertical-cavity surface-emitting lasers with incorporated photonic crystal. The basic mathematical details of the method are given and its convergence is verified for a sample structure. Then the simulations performed with PWAM are used to determine the optimal photonic crystal parameters for low-loss, high-Q-factor regime.     

Highly birefringent and dichroic photonic crystal VCSEL design

We analyse the possibility to stabilise the polarisation of light emitted by photonic crystal vertical-cavity surface-emitting lasers (PC-VCSELs). We consider two different photonic crystal configurations in a GaAs/AlGaAs VCSEL: with elliptical holes and with selectively enlarged holes and a small central hole. Very large birefringence (∼400 GHz) and dichroism (∼7%) are demonstrated for the second PC-VCSEL design.     

Spatial structure and NMR spectra of strained [2.2.2]cyclophanes

The chemical shifts and coupling constants in the NMR spectra of the title compounds are influenced by their strain and the proximity of the aromatic rings. These parameters are studied by density functional theory (DFT) calculations for 1–4 and measured for 3 and 4. We find that, in spite of the strain, the calculations reproduce the experimental values satisfactorily. This finding is of special importance for novel hypothetical molecules like hexahydrosuperphane 5 for their future identification and in searches of hydrocarbons exhibiting unusual NMR parameters. Our results demonstrate the influence of strain on the parameters studied. Most proton and carbon chemical shifts for the molecules under study having nonplanar aromatic rings differ considerably from the corresponding values for the relatively unstrained trimethylbenzenes and ethylbenzene. In addition, the calculated values of the coupling constants through three bonds in most cases do not follow Karplus relation. Copyright © 2009 John Wiley & Sons, Ltd.     

The synthesis and conformational analysis of optical isomers of 4-phenyl-perhydropyrido[1,2-a]pyrazine-1,3-dione: an example of ‘solid state–frozen’ dynamics in nitrogen-bridged bicyclic 2,6-diketopiperazines

The synthesis, chemical properties, and conformational analysis of enantiopure (4R,9aS)-, (4S,9aR)-, (4S,9aS)-, and (4R,9aR)-4-phenyl-perhydropyrido[1,2-a]pyrazine-1,3-diones having potential biological activity are described. An interesting example of the coexistence of two invertomers of the (4R,9aR)-diastereomer in a single crystal unit cell is reported. The invertomers differ in the cis/trans-relationship between the fused rings and in the absolute configuration at the chiral nitrogen atom. The structure and equilibrium distributions of the respective conformers have been determined by NMR spectroscopy in both polar and non-polar solvents at various temperatures. The NMR spectra show that dynamic processes in the imide parts of the interconverting species are restrained by self-aggregation. The (4S,9aR)-diastereomer exists in a single conformation with insignificant dynamic effects.     

Non‐uniform nanosecond gate‐delay of hybrid pixel detectors

A simple experiment to characterize the gating properties of X‐ray area detectors using pulsed X‐ray sources is presented. For a number of time‐resolved experiments the gating uniformity of area detectors is important. Relative gating delays between individual modules and readout chips of PILATUS2 series area X‐ray detectors have been observed. For three modules of a PILATUS 300K‐W unit the maximum gating offset between the modules is found to be as large as 30 ns. On average, the first photosensor module is found to be triggered 15 ns and 30 ns later than the second and the third modules, respectively.     

Engineering Models for Numerical Analysis of Composite Bending Members∗

Abstract

ABSTRACT The two-step numerical analysis of a composite beam structure is presented in this paper. The first step, based on the idea of dividing the cross section into laminas, leads to the estimation of the moment-curvature relation for different types of cross sections used in composite beams. The second step adopts this constitutive relation, which is expressed in the space of generalized stresses and strains, into finite element nonlinear code. Some numerical examples are given, to show the agreement of numerical calculations with results of the authors' experiments, when the shrinkage of a concrete encasement and stresses due to welding processes in steel beams are considered. In addition, the numerical concept presented here seems to reduce the sensitivity of the final results obtained to finite element discretization error.     

Analysis of relationships between residual magnetic field and residual stress

The impact of stress on changes in magnetisation is one of the most complex issues of magnetism. Magnetic methods make use of the impact of stress on permeability, hysteresis and magnetic Barkhausen noise, which are examined with fields with a high strength and a small frequency. The paper presents an analysis of the impact of residual stress resulting from inhomogeneous plastic deformations in the notch area of the examined samples on the changes in the strength of the residual magnetic field (RMF). The RMF on the surface of the component is the superposition of the simultaneous effect of the shape, the anisotropic magnetic properties of the material, as well as of the values of the components of a weak external magnetic field (most commonly—the magnetic field of the Earth). Distributions of the RMF components were measured on the surface of samples with a various degree of plastic strain. The finite element method was used to model residual stress in the samples. The impact of residual stress on changes in the residual magnetic field was shown. A qualitative correlation was found between places with residual stress and areas with increased values of the gradients of the RMF components. Further research is now in progress in order to develop the quantitative relationships.     

Frustration, area law, and interference in quantum spin models

We study frustrated quantum systems from a quantum information perspective. Within this approach, we find that highly frustrated systems do not follow any general "area law" of block entanglement, while weakly frustrated ones have area laws similar to those of nonfrustrated systems away from criticality. To calculate the block entanglement in systems with degenerate ground states, typical in frustrated systems, we define a "cooling" procedure of the ground state manifold and propose a frustration degree and a method to quantify constructive and destructive interference effects of entanglement.