Enabling Coarse X-ray Fluorescence Imaging Scans with Enlarged Synchrotron Beam by Means of Mosaic Crystal Defocusing Optics

Trace elements, functionalized nanoparticles and labeled entities can be localized with sub-mm spatial resolution by X-ray fluorescence imaging (XFI). Here, small animals are raster scanned with a pencil-like synchrotron beam of high energy and low divergence and the X-ray fluorescence is recorded with an energy-dispersive detector. The ability to first perform coarse scans to identify regions of interest, followed by a close-up with a sub-mm X-ray beam is desirable, because overall measurement time and X-ray dose absorbed by the (biological) specimen can thus be minimized. However, the size of X-ray beams at synchrotron beamlines is usually strongly dependent on the actual beamline setup and can only be adapted within specific pre-defined limits. Especially, large synchrotron beams are non-trivial to generate. Here, we present the concept of graphite-based, convex reflection optics for the one-dimensional enlargement of a 1 mm wide synchrotron beam by a factor of 5 to 10 within a 1 m distance. Four different optics are tested and characterized and their reflection properties compared to ray tracing simulations. The general shape and size of the measured reflection profiles agree with expectations. Enhancements with respect to homogeneity and efficiency can be expected with improved optics manufacturing. A mouse phantom is used for a proof-of-principle XFI experiment demonstrating the applicability of coarse and fine scans with the suggested optics design.     

Discerning nonstationarity from nonlinearity in seizure-free and preseizure EEG recordings from epilepsy patients

A number of recent studies indicate that nonlinear electroencephalogram (EEG) analyses allow to define a state predictive of an impending epileptic seizure. In this paper, we combine a method for detecting nonlinear determinism with a novel test for stationarity to characterize EEG recordings from both the seizure-free interval and the preseizure phase. We discuss differences between these periods, particularly an increased occurrence of stationary, nonlinear segments prior to seizures. These differences seem most prominent for recording sites within the seizure-generating area and for EEG segments less than one minute's length.     

A methodology to benchmark flexible payload architectures in a megaconstellation use case

This paper proposes a methodology to benchmark satellite payload architectures and find the optimal trade‐offs between high flexibility and low complexity. High flexibility would enable the satellite to adapt to various distributions of user terminals on the ground and fulfill the data rate demand of these users. Besides, low complexity is required to keep satellite networks competitive in the context of emerging 5G networks. To estimate the flexibility of a payload, an indicator to characterize the non‐uniformity of user distributions is proposed. Each benchmarked payload may be characterized by a graph relating the throughput to this parameter further denoted . The payload provides the same throughput trends for different scenarios of user distributions with the same parameter. As a consequence, the average capacity of the system may be estimated by (a) calculating the probability distribution of over the orbit and (b) integrating the throughput based on this payload response. It thus results in a straightforward way for benchmarking payloads directly on an estimation of the averaged capacity, accounting for the user distribution over the earth. A simulation platform has been developed to characterize the payload throughput including the implementation of a resource allocation algorithm that accounts for constraints of various payloads. Using this definition and the developed tool, we benchmark a bent‐pipe architecture, a beam hopping architecture and a hybrid beam‐steering architecture for a LEO megaconstellation use case. The methodology showcases the interest for investigating different payload architectures depending on realistic traffic scenario analysis.     

Interfacial Strain Gradients Control Nanoscale Domain Morphology in Epitaxial BiFeO3 Multiferroic Films

Domain switching pathways fundamentally control performance in ferroelectric thin film devices. In epitaxial bismuth ferrite (BiFeO₃) films, the domain morphology is known to influence the multiferroic orders. While both striped and mosaic domains have been observed, the origins of the latter have remained unclear. Here, it is shown that domain morphology is defined by the strain profile across the film–substrate interface. In samples with mosaic domains, X‐ray diffraction analysis reveals strong strain gradients, while geometric phase analysis using scanning transmission electron microscopy finds that within 5 nm of the film–substrate interface, the out‐of‐plane strain shows an anomalous dip while the in‐plane strain is constant. Conversely, if uniform strain is maintained across the interface with zero strain gradient, striped domains are formed. Critically, an ex situ thermal treatment, which eliminates the interfacial strain gradient, converts the domains from mosaic to striped. The antiferromagnetic state of the BiFeO₃ is also influenced by the domain structure, whereby the mosaic domains disrupt the long‐range spin cycloid. This work demonstrates that atomic scale tuning of interfacial strain gradients is a powerful route to manipulate the global multiferroic orders in epitaxial films.     

Efficiency of Light Outcoupling Structures in Organic Light‐Emitting Diodes: 2D TiO2 Array as a Model System

Organic light‐emitting diodes (OLEDs) are widely used in research and are established in the industry. The building block nature of organic compounds enables a vast variety of materials. On top of that, there exist many strategies to improve the light outcoupling of OLEDs making a direct comparison of outcoupling technologies difficult. Here, a novel approach is introduced for the evaluation of light outcoupling structures. The new defined “efficiency of light outcoupling structures” (ELOS) clearly determines the effectiveness of the light outcoupling structure by weighting the experimental efficiency enhancement over the theoretical outcoupling gain. It neither depends on cavity design nor on the chosen organic material. The methodology is illustrated for red phosphorescent OLEDs comprising internal and external light outcoupling structures. Assumptions and further uses are discussed with respect to experimental and theoretical handling. In addition, the ELOS is calculated for various outcoupling techniques from literature to demonstrate the universality. Finally, most suitable reference OLEDs are discussed for application of light outcoupling structures. The presented approach enables new possibilities for studying light outcoupling structures and improves their comparability in a highly material‐driven research field.     

Self‐Assembled Conjugated Thiophene‐Based Rotaxane Architectures: Structural,Computational, and Spectroscopic Insights into Molecular Aggregation

A comparative study of the self‐assembly at a variety of surfaces of a dithiophene rotaxane 1 ?β‐CD and its corresponding dumbbell, 1, by means of atomic force microscopy (AFM) imaging and scanning tunneling microscopy (STM) imaging on the micrometer and nanometer scale, respectively. The dumbbell is found to have a greater propensity to form ordered supramolecular assemblies, as a result of π–π interactions between dithiophenes belonging to adjacent molecules, which are hindered in the rotaxane. The fine molecular structure determined by STM was compared to that obtained by molecular modelling. The optical properties of both rotaxane and dumbbell in the solid state were investigated by steady‐state and time‐resolved photoluminescence (PL) experiments on spin‐cast films and diluted solutions. The comparison between the optical features of the threaded and unthreaded systems reveals an effective role of encapsulation in reducing aggregation and exciton migration for the rotaxanes with respect to the dumbbells, thus leading to higher PL quantum efficiency and preserved single‐molecule photophysics for longer times after excitation in the threaded oligomers.     

Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors

Small‐molecule organic semiconductors are used in a wide spectrum of applications, ranging from organic light emitting diodes to organic photovoltaics. However, the low carrier mobility severely limits their potential, e.g., for large area devices. A number of factors determine mobility, such as molecular packing, electronic structure, dipole moment, and polarizability. Presently, quantitative ab initio models to assess the influence of these molecule‐dependent properties are lacking. Here, a multiscale model is presented, which provides an accurate prediction of experimental data over ten orders of magnitude in mobility, and allows for the decomposition of the carrier mobility into molecule‐specific quantities. Molecule‐specific quantitative measures are provided how two single molecule properties, the dependence of the orbital energy on conformation, and the dipole‐induced polarization determine mobility for hole‐transport materials. The availability of first‐principles based models to compute key performance characteristics of organic semiconductors may enable in silico screening of numerous chemical compounds for the development of highly efficient optoelectronic devices.