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Subject: search.filters.subject.530Subject: search.filters.subject.620Start date: 2020Institute: search.filters.UBSInstitut.Fakultätsübergreifend / Sonstige Einrichtung

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    ItemOpen Access
    Top‐down approach to study chemical and electronic properties of perovskite solar cells : sputtered depth profiling versus tapered cross‐sectional photoelectron spectroscopies
    (2021) Das, Chittaranjan; Zia, Waqas; Mortan, Claudiu; Hussain, Navid; Saliba, Michael; Ingo Flege, Jan; Kot, Małgorzata
    A study of the chemical and electronic properties of various layers across perovskite solar cell (PSC) stacks is challenging. Depth‐profiling photoemission spectroscopy can be used to study the surface, interface, and bulk properties of different layers in PSCs, which influence the overall performance of these devices. Herein, sputter depth profiling (SDP) and tapered cross‐sectional (TCS) photoelectron spectroscopies (PESs) are used to study highly efficient mixed halide PSCs. It is found that the most used SDP‐PES technique degrades the organic and deforms the inorganic materials during sputtering of the PSCs while the TCS‐PES method is less destructive and can determine the chemical and electronic properties of all layers precisely. The SDP‐PES dissociates the chemical bonding in the spiro‐MeOTAD and perovskite layer and reduces the TiO2, which causes the chemical analysis to be unreliable. The TCS‐PES revealed a band bending only at the spiro‐MeOTAD/perovskite interface of about 0.7 eV. Both the TCS and SDP‐PES show that the perovskite layer is inhomogeneous and has a higher amount of bromine at the perovskite/TiO2 interface.
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    Assessing fatigue life cycles of material X10CrMoVNb9-1 through a combination of experimental and finite element analysis
    (2023) Rahim, Mohammad Ridzwan Bin Abd; Schmauder, Siegfried; Manurung, Yupiter H. P.; Binkele, Peter; Dusza, Ján; Csanádi, Tamás; Ahmad, Meor Iqram Meor; Mat, Muhd Faiz; Dogahe, Kiarash Jamali
    This paper uses a two-scale material modeling approach to investigate fatigue crack initiation and propagation of the material X10CrMoVNb9-1 (P91) under cyclic loading at room temperature. The Voronoi tessellation method was implemented to generate an artificial microstructure model at the microstructure level, and then, the finite element (FE) method was applied to identify different stress distributions. The stress distributions for multiple artificial microstructures was analyzed by using the physically based Tanaka-Mura model to estimate the number of cycles for crack initiation. Considering the prediction of macro-scale and long-term crack formation, the Paris law was utilized in this research. Experimental work on fatigue life with this material was performed, and good agreement was found with the results obtained in FE modeling. The number of cycles for fatigue crack propagation attains up to a maximum of 40% of the final fatigue lifetime with a typical value of 15% in many cases. This physically based two-scale technique significantly advances fatigue research, particularly in power plants, and paves the way for rapid and low-cost virtual material analysis and fatigue resistance analysis in the context of environmental fatigue applications.
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    Smooth or with a snap! Biomechanics of trap reopening in the Venus flytrap (Dionaea muscipula)
    (2022) Durak, Grażyna M.; Thierer, Rebecca; Sachse, Renate; Bischoff, Manfred; Speck, Thomas; Poppinga, Simon
    Fast snapping in the carnivorous Venus flytrap (Dionaea muscipula) involves trap lobe bending and abrupt curvature inversion (snap‐buckling), but how do these traps reopen? Here, the trap reopening mechanics in two different D. muscipula clones, producing normal‐sized (N traps, max. ≈3 cm in length) and large traps (L traps, max. ≈4.5 cm in length) are investigated. Time‐lapse experiments reveal that both N and L traps can reopen by smooth and continuous outward lobe bending, but only L traps can undergo smooth bending followed by a much faster snap‐through of the lobes. Additionally, L traps can reopen asynchronously, with one of the lobes moving before the other. This study challenges the current consensus on trap reopening, which describes it as a slow, smooth process driven by hydraulics and cell growth and/or expansion. Based on the results gained via three‐dimensional digital image correlation (3D‐DIC), morphological and mechanical investigations, the differences in trap reopening are proposed to stem from a combination of size and slenderness of individual traps. This study elucidates trap reopening processes in the (in)famous Dionaea snap traps - unique shape‐shifting structures of great interest for plant biomechanics, functional morphology, and applications in biomimetics, i.e., soft robotics.
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    Magnetic putty as a reconfigurable, recyclable, and accessible soft robotic material
    (2023) Li, Meng; Pal, Aniket; Byun, Junghwan; Gardi, Gaurav; Sitti, Metin
    Magnetically hard materials are widely used to build soft magnetic robots, providing large magnetic force/torque and macrodomain programmability. However, their high magnetic coercivity often presents practical challenges when attempting to reconfigure magnetization patterns, requiring a large magnetic field or heating. In this study, magnetic putty is introduced as a magnetically hard and soft material with large remanence and low coercivity. It is shown that the magnetization of magnetic putty can be easily reoriented with maximum magnitude using an external field that is only one‐tenth of its coercivity. Additionally, magnetic putty is a malleable, autonomous self‐healing material that can be recycled and repurposed. The authors anticipate magnetic putty could provide a versatile and accessible tool for various magnetic robotics applications for fast prototyping and explorations for research and educational purposes.
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    Single-band versus two-band description of magnetism in infinite-layer nickelates
    (2023) Plienbumrung, Tharathep; Daghofer, Maria; Morée, Jean-Baptiste; Oleś, Andrzej M.
    We present a weak-coupling analysis of magnetism in infinite-layer nickelates, where we compare a single-band description with a two-band model. Both models predict that (i) hybridization due to hopping is negligible, and (𝑖𝑖) the magnetic properties are characterized by very similar dynamic structure factors, 𝑆(𝑘⃗ ,𝜔), at the points (𝜋,𝜋,0) and (𝜋,𝜋,𝜋). This gives effectively a two-dimensional description of the magnetic properties.
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    Performance comparison of CFD microbenchmarks on diverse HPC architectures
    (2024) Galeazzo, Flavio C. C.; Garcia-Gasulla, Marta; Boella, Elisabetta; Pocurull, Josep; Lesnik, Sergey; Rusche, Henrik; Bnà, Simone; Cerminara, Matteo; Brogi, Federico; Marchetti, Filippo; Gregori, Daniele; Weiß, R. Gregor; Ruopp, Andreas
    OpenFOAM is a CFD software widely used in both industry and academia. The exaFOAM project aims at enhancing the HPC scalability of OpenFOAM, while identifying its current bottlenecks and proposing ways to overcome them. For the assessment of the software components and the code profiling during the code development, lightweight but significant benchmarks should be used. The answer was to develop microbenchmarks, with a small memory footprint and short runtime. The name microbenchmark does not mean that they have been prepared to be the smallest possible test cases, as they have been developed to fit in a compute node, which usually has dozens of compute cores. The microbenchmarks cover a broad band of applications: incompressible and compressible flow, combustion, viscoelastic flow and adjoint optimization. All benchmarks are part of the OpenFOAM HPC Technical Committee repository and are fully accessible. The performance using HPC systems with Intel and AMD processors (x86_64 architecture) and Arm processors (aarch64 architecture) have been benchmarked. For the workloads in this study, the mean performance with the AMD CPU is 62% higher than with Arm and 42% higher than with Intel. The AMD processor seems particularly suited resulting in an overall shorter time-to-solution.
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    Stabilizing γ‐MgH2 at nanotwins in mechanically constrained nanoparticles
    (2021) Kammerer, Jochen A.; Duan, Xiaoyang; Neubrech, Frank; Schröder, Rasmus R.; Liu, Na; Pfannmöller, Martin
    Reversible hydrogen uptake and the metal/dielectric transition make the Mg/MgH2 system a prime candidate for solid‐state hydrogen storage and dynamic plasmonics. However, high dehydrogenation temperatures and slow dehydrogenation hamper broad applicability. One promising strategy to improve dehydrogenation is the formation of metastable γ‐MgH2. A nanoparticle (NP) design, where γ‐MgH2 forms intrinsically during hydrogenation is presented and a formation mechanism based on transmission electron microscopy results is proposed. Volume expansion during hydrogenation causes compressive stress within the confined, anisotropic NPs, leading to plastic deformation of β‐MgH2 via (301)β twinning. It is proposed that these twins nucleate γ‐MgH2 nanolamellas, which are stabilized by residual compressive stress. Understanding this mechanism is a crucial step toward cycle‐stable, Mg‐based dynamic plasmonic and hydrogen‐storage materials with improved dehydrogenation. It is envisioned that a more general design of confined NPs utilizes the inherent volume expansion to reform γ‐MgH2 during each rehydrogenation.
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    Integrated optoelectronic devices using lab‐on‐fiber technology
    (2022) Ricciardi, Armando; Zimmer, Michael; Witz, Norbert; Micco, Alberto; Piccirillo, Federica; Giaquinto, Martino; Kaschel, Mathias; Burghartz, Joachim; Jetter, Michael; Michler, Peter; Cusano, Andrea; Portalupi, Simone Luca
    Silica fibers are nowadays cornerstones in several technological implementations from long‐distance communication, to sensing applications in many scenarios. To further enlarge the functionalities, the compactness, and the performances of fiber‐based devices, one needs to reliably integrate small‐footprint components such as sensors, light sources, and detectors onto single optical fiber substrates. Here, a novel proof of concept is presented to deterministically integrate optoelectronic chips onto the facet of an optical fiber, further implementing the electrical contacting between the chip and fiber itself. The CMOS‐compatible procedure is based on a suitable combination of metal deposition, laser machining, and micromanipulation, directly applied onto the fiber tip. The proposed method is validated by transferring, aligning, and bonding a quantum‐well based laser on the core of a multimode optical fiber. The successful monolithic device integration on fiber shows simultaneously electrical contacting between the laser and the ferrule, and 20% light in‐coupling in the fiber. These results pave new ways to develop the next generation of optoelectronic systems on fiber. The technological approach will set a new relevant milestone along the lab‐on‐fiber roadmap, opening new avenues for a novel class of integrated optoelectronic fiber platforms, featuring unrivaled miniaturization, compactness, and performances levels, designed for specific applications.
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    Tuning electrode and separator sizes for enhanced performance of electrical double‐layer capacitors
    (2024) Paolini, Daniele; Antony, Lintymol; Seeta Rama Raju, Ganji; Kuzmak, Andrij; Verkholyak, Taras; Kondrat, Svyatoslav
    An electrical double‐layer capacitor (EDLC) comprises two porous electrodes sandwiching an electrolyte‐permeable separator, which prevents the electrodes from short‐circuiting. While previous studies have mainly focused on electrolyte and electrode properties of EDLCs, the device configuration in terms of electrode and separator sizes received less attention, with separators often simplistically modelled as infinitely large reservoirs of ions. Herein, we investigate how the relationship between electrode and separator thicknesses impacts EDLC charging. We find that the assumption of bulk reservoir holds only under specific conditions. Moreover, we identify a tradeoff between stored energy density and pressure variations within the separator, potentially jeopardizing the EDLC durability. We also explore the influence of ionic liquid additives on EDLC charging. While prior research has shown that trace amounts of uncharged additives with strong electrode affinity can significantly enhance energy storage, we observe this effect as negligible for electrodes and separators of comparable sizes. Instead, we show how to optimize EDLC performance by fine‐tuning the concentration of additives and separator‐to‐electrode size ratio to maximize stored energy density.
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    Optimality principles in human point-to-manifold reaching accounting for muscle dynamics
    (2020) Wochner, Isabell; Driess, Danny; Zimmermann, Heiko; Häufle, Daniel F. B.; Toussaint, Marc; Schmitt, Syn
    Human arm movements are highly stereotypical under a large variety of experimental conditions. This is striking due to the high redundancy of the human musculoskeletal system, which in principle allows many possible trajectories toward a goal. Many researchers hypothesize that through evolution, learning, and adaption, the human system has developed optimal control strategies to select between these possibilities. Various optimality principles were proposed in the literature that reproduce human-like trajectories in certain conditions. However, these studies often focus on a single cost function and use simple torque-driven models of motion generation, which are not consistent with human muscle-actuated motion. The underlying structure of our human system, with the use of muscle dynamics in interaction with the control principles, might have a significant influence on what optimality principles best model human motion. To investigate this hypothesis, we consider a point-to-manifold reaching task that leaves the target underdetermined. Given hypothesized motion objectives, the control input is generated using Bayesian optimization, which is a machine learning based method that trades-off exploitation and exploration. Using numerical simulations with Hill-type muscles, we show that a combination of optimality principles best predicts human point-to-manifold reaching when accounting for the muscle dynamics.