A new contact model for the discrete element method simulation of $$\hbox {TiO}_2$$ nanoparticle films under mechanical load

We develop a novel coarse-grained contact model for Discrete Element Method simulations of \(\hbox {TiO}_2\) nanoparticle films subjected to mechanical stress. All model elements and parameters are derived in a self-consistent and physically sound way from all-atom Molecular Dynamics simulations of interacting particles and surfaces. In particular, the nature of atomic-scale friction and dissipation effects is taken into account by explicit modelling of the surface features and water adsorbate layers that strongly mediate the particle-particle interactions. The quantitative accuracy of the coarse-grained model is validated against all-atom simulations of \(\hbox {TiO}_2\) nanoparticle agglomerates under tensile stress. Moreover, its predictive power is demonstrated with calculations of force-displacement curves of entire nanoparticle films probed with force spectroscopy. The simulation results are compared with Atomic Force Microscopy and Transmission Electron Microscopy experiments.     

Model‐based reconstruction for T1 mapping using single‐shot inversion‐recovery radial FLASH

Quantitative parameter mapping in MRI is typically performed as a two‐step procedure where serial imaging is followed by pixelwise model fitting. In contrast, model‐based reconstructions directly reconstruct parameter maps from raw data without explicit image reconstruction. Here, we propose a method that determines T1 maps directly from multi‐channel raw data as obtained by a single‐shot inversion‐recovery radial FLASH acquisition with a Golden Angle view order. Joint reconstruction of a T1, spin‐density and flip‐angle map is formulated as a nonlinear inverse problem and solved by the iteratively regularized Gauss‐Newton method. Coil sensitivity profiles are determined from the same data in a preparatory step of the reconstruction. Validations included numerical simulations, in vitro MRI studies of an experimental T1 phantom, and in vivo studies of brain and abdomen of healthy subjects at a field strength of 3 T. The results obtained for a numerical and experimental phantom demonstrated excellent accuracy and precision of model‐based T1 mapping. In vivo studies allowed for high‐resolution T1 mapping of human brain (0.5–0.75 mm in‐plane, 4 mm section thickness) and liver (1.0 mm, 5 mm section) within 3.6–5 s. In conclusion, the proposed method for model‐based T1 mapping may become an alternative to two‐step techniques, which rely on model fitting after serial image reconstruction. More extensive clinical trials now require accelerated computation and online implementation of the algorithm. © 2016 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 26, 254–263, 2016     

Investigation on PEM water electrolysis cell design and components for a HyCon solar hydrogen generator

Hydrogen as a secondary energy carrier promises a large potential as a long term storage for fluctuating renewable energies. In this sense a highly efficient solar hydrogen generation is of great interest especially in southern countries having high solar irradiation. The patented Hydrogen Concentrator (HyCon) concept yields high efficiencies combining multi-junction solar cells with proton exchange (PEM) membrane water electrolysis. In this work, a special PEM electrolysis cell for the HyCon concept was developed and investigated. It is shown that the purpose-made PEM cell shows a high performance using a titanium hybrid fiber sinter function both as a porous transport layer and flow field. The electrolysis cell shows a high performance with 1.83 V at 1 A/cm² and 24 °C working under natural convection with a commercially available catalyst coated membrane. A theoretical examination predicts a total efficiency for the HyCon module from sunlight to hydrogen of approximately 19.5% according to the higher heating value.     

Long‐term effects of angiotensin II blockade with irbesartan on inflammatory markers in hemodialysis patients: A randomized double blind placebo controlled trial (SAFIR study)

Introduction: Low‐grade chronic inflammation is common in hemodialysis (HD) patients. Previous studies suggest an anti‐inflammatory effect of angiotensin II receptor blocker (ARB) treatment. The aim of this study was to compare the effect of ARB vs. placebo on plasma concentrations of inflammatory markers in HD patients. Methods: Adult HD patients were randomized for double‐blind treatment with the ARB irbesartan 150–300 mg/day or placebo. At baseline, 1 week, 3, 6, 9, and 12 months plasma high sensitivity C‐reactive protein (hsCRP), interleukin (IL)?1β, IL‐6, IL‐8, IL‐18, and transforming growth factor‐β (TGF‐β) were measured using Luminex and enzyme‐linked immunosorbent assay (ELISA) technology. Findings: Eighty‐two patients were randomized (placebo/ARB: 41/41). The groups did not differ in initial levels of any of the inflammatory markers (placebo/ARB median(range)): hsCRP 3.3(0.2–23.4)/2.7(0.2–29.6) μg/mL; IL‐1β 1.1(0.0–45.9)/1.1(0.0‐7.2) pg/mL; IL‐6 10(1–90)/12(1–84) pg/mL; IL‐8 31(9–134)/34(5–192) pg/mL; IL‐18 364(188–1343)/377(213–832) pg/mL; TGF‐β 3.2(0.8–13.9)/3.6(1.3–3.8) ng/mL. Overall, there was no significant difference in hsCRP, IL‐6, IL‐8, and TGF‐β between placebo and ARB‐treated patients during the study period, and hsCRP, IL‐6, IL‐8, and TGF‐β were relatively stable during the study period (P ≥ 0.18 in all tests for parallel curves, equal levels, and constant levels). The IL‐1β level was slightly different in the two groups over time, but not significantly (P = 0.09 in test for parallel curves) and it was also relatively stable during the study period (P ≥ 0.49 in tests for equal levels and constant level). IL‐18 was the only inflammatory marker which was not constant during the study period (P = 0.001 in test for constant level), but there was no significant difference between placebo and ARB‐treated (P ≥ 0.51 in tests for parallel curves and equal levels). Discussion: Inflammatory biomarkers were neither acutely, nor in the long‐term significantly affected by the ARB irbesartan. Our findings suggest that ARB treatment in HD patients does not offer protective anti‐inflammatory effects.     

Accelerated Ionic Motion in Amorphous Memristor Oxides for Nonvolatile Memories and Neuromorphic Computing

Memristive devices based on mixed ionic–electronic resistive switches have an enormous potential to replace today's transistor‐based memories and Von Neumann computing architectures thanks to their ability for nonvolatile information storage and neuromorphic computing. It still remains unclear however how ionic carriers are propagated in amorphous oxide films at high local electric fields. By using memristive model devices based on LaFeO₃ with either amorphous or epitaxial nanostructures, we engineer the structural local bonding units and increase the oxygen‐ionic diffusion coefficient by one order of magnitude for the amorphous oxide, affecting the resistive switching operation. We show that only devices based on amorphous LaFeO₃ films reveal memristive behavior due to their increased oxygen vacancy concentration. We achieved stable resistive switching with switching times down to microseconds and confirm that it is predominantly the oxygen‐ionic diffusion character and not electronic defect state changes that modulate the resistive switching device response. Ultimately, these results show that the local arrangement of structural bonding units in amorphous perovskite films at room temperature can be used to largely tune the oxygen vacancy (defect) kinetics for resistive switches (memristors) that are both theoretically challenging to predict and promising for future memory and neuromorphic computing applications.     

The Effect of Ageing on Exciton Dynamics,Charge Separation,and Recombination in P3HT/PCBM Photovoltaic Blends

A study of how light‐induced degradation influences the fundamental photophysical processes in the active layer of poly(3‐hexylthiophene)/[6,6]‐phenyl C₆₁‐butyric acid methyl ester (P3HT/PCBM) solar cells is presented. Non‐encapsulated samples are systematically aged by exposure to AM 1.5 illumination in the presence of dry air for different periods of time. The extent of degradation is quantified by the relative loss in the absorption maximum of the P3HT, which is varied in the range 0% to 20%. For degraded samples an increasing loss in the number of excitons within the P3HT domains is observed with longer ageing periods. This loss occurs rapidly, within the first 15 ps after photoexcitation. A more pronounced decrease in the population of polarons than excitons is observed, which also occurs on a timescale of a few picoseconds. These observations, complemented by a quantitative analysis of the polaron and exciton population dynamics, unravel two primary loss mechanisms for the performances of aged P3HT/PCBM solar cells. One is an initial ultrafast decrease in the polaron generation, apparently not related to the exciton diffusion to the polymer/fullerene interface; the second, less significant, is a loss in the exciton population within the photoexcited P3HT domains. The steady‐state photoinduced absorption spectra of degraded samples exhibits the appearance of a signal ascribed to triplet excitons, which is absent for non‐degraded samples. This latter observation is interpreted considering the formation of degraded sites where intersystem crossing and triplet exciton formation is more effective. The photovoltaic characteristics of same blends are also studied and discussed by comparing the decrease in the overall power conversion efficiency of solar cells.     

Fiber Bragg Gratings in Small-Core Ge-Doped Photonic Crystal Fibers

This paper reports fiber Bragg gratings （FBGs） inscribed in a small-core Ge-doped photonic crystal fibers with a UV laser and a Talbot interferometer. The responses of such FBGs to temper- ature, strain, bending, and transverse-loading were systematically investigated. The Bragg wavelength of the FBGs shifts toward longer wavelengths with increasing temperature, tensile strain, and transverse-loading. The bending and transverse- loading properties of the FBGs are sensitive to the fiber orientations.     

Performance optimization of polymer electrolyte membrane fuel cells using the Nelder-Mead algorithm

The direct-search simplex method for function optimization has been adapted to performance optimization of polymer electrolyte membrane fuel cells (PEMFCs). The established method is strongly application oriented and uses only experimentally determined data for optimization. It is not restricted to discrete parameters optimums and does not require the use of third-party software or computational resources. Hence, it is easy to implement in fuel cell testing stations. The optimization consists of finding, for a given fuel cell load, an optimum set of values of the 7 fuel cell operating parameters: the fuel cell temperature, the reactants' stoichiometric ratios, the reactants' inlet relative humidity, and the reactants' outlet pressures, resulting in the highest fuel cell performance. The performance is measured using a scalar function of the operating parameters and the load and can be defined according to needs.Two PEMFC performance functions: the fuel cell voltage and the system-related fuel cell efficiency were optimized using the procedure for practically sized PEMFC stacks of two designs. With respect to the nominal operating conditions defined as optimal for each stack design by its manufacturer, the gains from the optimization procedure were up to over 12% and up to over 7% for the stack voltage and efficiency, respectively. The validation of the procedure involved 5 stack specimens and four laboratories and consistent results were obtained.     

Potenzial von freien Flankenmodifikationen für Beveloidverzahnungen

In recent years the beveloid gear, also known as conical involute gear, is shifting more and more into the spotlight. The beveloid gear has been an important part of marine transmissions for years and is nowadays used to transmit the torque of the output shaft of the gearbox onto the front axle in a four wheel drive vehicle. The small need of design space and the reduced amount of design parts necessary in comparison to conventional transfer gearboxes, distinguish the beveloid gear. The conjugate flank of beveloid gears promises the best operational behavior. However because of its geometry the conjugate flank cannot be manufactured with standard manufacturing processes. Standard modification such as crowning offer a possibility to enhance the operational behavior of involute beveloid gears but cannot reach the whole potential given by conjugated beveloid gears. Therefore, the objective of the following report is to investigate the potential of free flank modifications of beveloid gears regarding the operational behavior. After a brief overview on existing geometry optimization methods for beveloid gears, the method for free flank modifications by means of a weighted objective function is defined and applied to an example gear. The results of the investigation show that free flank modifications offer a high level of improvement of the operational behavior. The comparison with a non-modified gear, a gear with standard modifications and a gear with free flank modifications for three different load steps proves that free flank modifications offer a higher durability and lower noise excitation.