Surface tension of isotropic-nematic interfaces: Fundamental Measure Theory for hard spherocylinders

A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer $f$-function for arbitrarily shaped convex hard bodies in tensorial weight functions, which depend each only on the shape and orientation of a single particle. In the course of an examination of the isotropic- nematic interface at coexistence the functional is applied to anisotropic and inhomogeneous problems for the first time. We find good qualitative agreement with other theoretical predictions and also with Monte-Carlo simulations

Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape

Density functional theory (DFT) for hard bodies provides a theoretical description of the effect of particle shape on inhomogeneous fluids. We present improvements of the DFT framework fundamental measure theory (FMT) for hard bodies and validate these improvements for hard spherocylinders. To keep the paper self-contained, we first discuss the recent advances in FMT for hard bodies that lead to the introduction of fundamental mixed measure theory (FMMT) in our previous paper (2015 Europhys. Lett. 109 26003). Subsequently, we provide an efficient semi-empirical alternative to FMMT and show that the phase diagram for spherocylinders is described with similar accuracy in both versions of the theory. Finally, we present a semi-empirical modification of FMMT whose predictions for the phase diagram for spherocylinders are in excellent quantitative agreement with computer simulation results

Characterization of spin-orbit interactions of GaAs heavy holes using a quantum point contact

We present transport experiments performed in high quality quantum point contacts embedded in a GaAs two-dimensional hole gas. The strong spin-orbit interaction results in peculiar transport phenomena, including the previously observed anisotropic Zeeman splitting and level-dependent effective g-factors. Here we find additional effects, namely the crossing and the anti-crossing of spin-split levels depending on subband index and magnetic field direction. Our experimental observations are reconciled in an heavy hole effective spin-orbit Hamiltonian where cubic- and quadratic-in-momentum terms appear. The spin-orbit components, being of great importance for quantum computing applications, are characterized in terms of magnitude and spin structure. In the light of our results, we explain the level dependent effective g-factor in an in-plane field. Through a tilted magnetic field analysis, we show that the QPC out-of-plane g-factor saturates around the predicted 7.2 bulk value

HPS2 - High Performance Solar 2 - Evora Molten Salts Plattform

Introduction of molten salt parabolic trough technology, potential, Project history and testing opportunities at the new test facility to be erected at Évora

Synthesis of fused tricyclic systems by thermal cope rearrangement of furan-substituted vinyl cyclopropanes

A novel method for the stereoselective construction of hexahydroazuleno[4,5-b]furans from simple precursors has been developed. The route involves the use of our recently developed Brønsted acid catalysed cyclisation reaction of acyclic ynenones to prepare fused 1-furanyl-2-alkenylcyclopropanes that undergo highly stereoselective thermal Cope rearrangement to produce fused tricyclic products. Substrates possessing an E-alkene undergo smooth Cope rearrangement at 40 °C, whereas the corresponding Z-isomers do not react at this temperature. Computational studies have been performed to explain the difference in behaviour of the E- and Z-isomers in the Cope rearrangement reaction. The hexahydroazuleno[4,5-b]furans produced by Cope rearrangement have potential as advanced intermediates for the synthesis of members of the guaianolide family of natural products

All-optical manipulation of singlet exciton transport in individual supramolecular nanostructures by triplet gating

Directed transport of singlet excitation energy is a key process in natural light-harvesting systems and a desired feature in assemblies of functional organic molecules for organic electronics and nanotechnology applications. However, progress in this direction is hampered by the lack of concepts and model systems. Here we demonstrate an all-optical approach to manipulate singlet exciton transport pathways within supramolecular nanostructures via singlet-triplet annihilation, i.e., to enforce an effective motion of singlet excitons along a predefined direction. For this proof-of-concept, we locally photo-generate a long-lived triplet exciton population and subsequently a singlet exciton population on single bundles of H-type supramolecular nanofibres using two temporally and spatially separated laser pulses. The local triplet exciton population operates as a gate for the singlet exciton transport since singlet-triplet annihilation hinders singlet exciton motion across the triplet population. We visualize this manipulation of singlet exciton transport via the fluorescence signal from the singlet excitons, using a detection-beam scanning approach combined with time-correlated single-photon counting. Our reversible, all-optical manipulation of singlet exciton transport can pave the way to realising new design principles for functional photonic nanodevices

Ein evolutionärer Ansatz für die automatische Ermittlung der Topologie neuronaler Netze = An evolutionary approach to automatically determine the topology of a neural network

Infolge von sinkenden Hardware-Preisen und der zunehmenden Automatisierung wird maschinelles Lernen für industrielle Anwendungen wie klassischen Sichtprüfungsaufgaben immer attraktiver. In diesem Artikel wird ein metaheuristischer Ansatz für die automatische Ermittlung der Topologie eines neuronalen Netzes präsentiert, der auf differentieller Evolution basiert. Dieser ist in der Lage, anhand eines gegebenen Datensatzes und ohne zusätzliches Vorwissen einen geeigneten Klassifikator zu entwerfen. Gleichzeitig wird durch die Wahl einer geeigneten Fitnessfunktion der Ressourcenbedarf der Inferenz des neuronalen Netzes begrenzt bzw. minimiert. Für typische industrielle Datensätze kann mit dem Ansatz eine Topologie gefunden werden, die eine Genauigkeit von im Mittel über 98% erreicht, während die Rechendauer relativ kurz bleibt

Physical Activity and Sedentary Behaviour Patterns in 326 Persons with COPD before Starting a Pulmonary Rehabilitation: A Cluster Analysis

This study applies a cluster analysis to identify typical physical activity (PA) and sedentary behaviour (SB) patterns in people with chronic obstructive pulmonary disease (COPD) before starting pulmonary rehabilitation (PR). We implemented an observational design which assessed baseline data of objectively measured PA and SB from the STAR (Stay Active after Rehabilitation) study. A total of 355 persons wore an accelerometer (Actigraph wGT3X) for seven days before the start of their PR. Sociodemographic and disease-related parameters were assessed at the start of PR. We applied cluster analysis and compared clusters applying univariate variance analyses. Data was available for 326 persons (31.6% women; age ø = 58 years). Cluster analysis revealed four movement clusters with distinct PA and SB patterns: Sedentary non-movers (28.5%), sedentary occasional movers (41.7%), sedentary movers (19.6%), and sedentary exercisers (10.1%). The four clusters displayed varying levels of moderate PA before rehabilitation (Ø daily min: 9; 28; 38; 70). Notably, all four clusters displayed considerably long average sedentary time per day (Ø daily minutes: 644; 561; 490; 446). The clusters differed significantly in disease-related parameters of GOLD severity, FEV1, CAT, and 6-Min-Walk-Test. In addition to PA promotion, PR programs should consider the reduction of sedentary behaviour as a valuable goal

Active Tectonics of the Alps-Dinarides junction

The northward motion and rotation of the Adriatic Plate leads to crustal deformation in the Southern Alps and in the Dinarides. Many aspects of the active tectonics in that area have not been properly understood, for example the distribution and localization of strain, the paleoseismic history of the largest faults, the seismic sources for large historical earthquakes, and the landscape record of active faulting. In the framework of SPP2017, we worked in the Southern Alps-Dinarides transition area, encompassing W Slovenia, NE Italy, and S Austria (Fig. 1). We used tectonic geomorphology studies on high-resolution digital elevation models, satellite imagery, field mapping, near-surface geophysics, paleoseismology, and Quaternary dating techniques to understand the pattern of Late Quaternary tectonics. Our results how that in Slovenia, deformation is distributed across a system of major NW-SE striking right-lateral strike slip faults in a more than 60 km-wide zone (Grützner et al., 2021). Many smaller, <15 km long faults show postglacial activity, too. In general, the deformation is widely distributed. In Italy, most of the deformation is accommodated by thrusting at the South Alpine orogenic front. Several thrust faults have stepped out into the Friulian Plain, where they are often blind (Viscolani et al., 2020). Although historical earthquakes with magnitudes larger than M6 occurred in the interior of the mountain chain, instrumental seismicity here is low. There is only very poor geological evidence of fault activity because sedimentation, high erosion rates, and anthropogenic modification dominate the present-day landscape and outpace almost any tectonic signal. In addition, glacial processes have erased most potential evidence for Late Quaternary active tectonics (Diercks et al., 2021, 2022, in press). The situation is similar in Austria, where geological evidence of active faulting is sparse, despite a record of strong historical earthquakes. New dating results from both deformed and undisturbed geomorphic markers allow us to place constraints on the maximum amount of deformation that is accommodated in southern Austria and on fault activity in Slovenia. Our latest results on seismically-triggered mass movements show that the 1348 Earthquake, one of the strongest historical events in the entire Alps, has likely occurred on the Fella-Sava Fault

Impact of Disease-Specific Fears on Pulmonary Rehabilitation Trajectories in Patients with COPD

Disease-specific fears predict health status in chronic obstructive pulmonary disease (COPD), but their role in pulmonary rehabilitation (PR) remains poorly understood and especially longer-term evaluations are lacking. We therefore investigated changes in disease-specific fears over the course of PR and six months after PR, and investigated associations with PR outcomes (COPD assessment test (CAT) and St. Georges respiratory questionnaire (SGRQ)) in a subset of patients with COPD (n = 146) undergoing a 3-week inpatient PR program as part of the STAR study (Clinicaltrials.gov, ID: NCT02966561). Disease-specific fears as measured with the COPD anxiety questionnaire improved after PR. For fear of dyspnea, fear of physical activity and fear of disease progression, improvements remained significant at six-month follow-up. Patients with higher disease-specific fears at baseline showed elevated symptom burden (CAT and SGRQ Symptom scores), which persisted after PR and at follow-up. Elevated disease-specific fears also resulted in reduced improvements in Quality of Life (SGRQ activity and impact scales) after PR and at follow-up. Finally, improvement in disease-specific fears was associated with improvement in symptom burden and quality of life. Adjustment for potential confounding variables (sex, smoking status, age, lung function, and depressive symptoms) resulted in comparable effects. These findings show the role of disease-specific fears in patients with COPD during PR and highlight the need to target disease-specific fears to further improve the effects of PR