Universität Stuttgart
Permanent URI for this communityhttps://elib.uni-stuttgart.de/handle/11682/1
Browse
147 results
Search Results
Item Open Access Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials(2021) Gubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V.; Grabowski, Blazej; Körmann, FritzAn active learning approach to train machine-learning interatomic potentials (moment tensor potentials) for multicomponent alloys to ab initio data is presented. Employing this approach, the disordered body-centered cubic (bcc) TiZrHfTax system with varying Ta concentration is investigated via molecular dynamics simulations. Our results show a strong interplay between elastic properties and the structural ω phase stability, strongly affecting the mechanical properties. Based on these insights we systematically screen composition space for regimes where elastic constants show little or no temperature dependence (elinvar effect).Item Open Access The role of dimensionality and geometry in quench-induced nonequilibrium forces(2021) Nejad, Mehrana Raeisian; Khalilian, Hamidreza; Rohwer, Christian M.; Moghaddam, Ali GhorbanzadehWe present an analytical formalism, supported by numerical simulations, for studying forces that act on curved walls following temperature quenches of the surrounding ideal Brownian fluid. We show that, for curved surfaces, the post-quench forces initially evolve rapidly to an extremal value, whereafter they approach their steady state value algebraically in time. In contrast to the previously-studied case of flat boundaries (lines or planes), the algebraic decay for curved geometries depends on the dimension of the system. Specifically, steady-state values of the force are approached in time as t-d/2 in d-dimensional spherical (curved) geometries. For systems consisting of concentric circles or spheres, the exponent does not change for the force on the outer circle or sphere. However, the force exerted on the inner circles or sphere experiences an overshoot and, as a result, does not evolve to the steady state in a simple algebraic manner. The extremal value of the force also depends on the dimension of the system, and originates from curved boundaries and the fact that particles inside a sphere or circle are locally more confined, and diffuse less freely than particles outside the circle or sphere.Item Open Access Tailored nanocomposites for 3D printed micro-optics(2020) Weber, Ksenia; Werdehausen, Daniel; König, Peter; Thiele, Simon; Schmid, Michael; Decker, Manuel; Oliveira, Peter William de; Herkommer, Alois; Giessen, HaraldItem Open 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, MałgorzataA 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.Item Open Access Tuning charge order in (TMTTF)2X by partial anion substitution(2021) Pustogow, Andrej; Dizdarevic, Daniel; Erfort, Sebastian; Iakutkina, Olga; Merkl, Valentino; Untereiner, Gabriele; Dressel, MartinIn the quasi-one-dimensional (TMTTF)2X compounds with effectively quarter-filled bands, electronic charge order is stabilized from the delicate interplay of Coulomb repulsion and electronic bandwidth. The correlation strength is commonly tuned by physical pressure or chemical substitution with stoichiometric ratios of anions and cations. Here, we investigate the charge-ordered state through partial substitution of the anions in (TMTTF)2[AsF6]1-x[SbF6]x with x≈0.3, determined from the intensity of infrared vibrations, which is sufficient to suppress the spin-Peierls state. Our dc transport experiments reveal a transition temperature TCO = 120 K and charge gap ΔCO=430 K between the values of the two parent compounds (TMTTF)2AsF6 and (TMTTF)2SbF6. Upon plotting the two parameters for different (TMTTF)2X, we find a universal relationship between TCO and ΔCO yielding that the energy gap vanishes for transition temperatures TCO≤60 K. While these quantities indicate that the macroscopic correlation strength is continuously tuned, our vibrational spectroscopy results probing the local charge disproportionation suggest that 2δ is modulated on a microscopic level.Item Open Access A brief review of capillary number and its use in capillary desaturation curves(2022) Guo, Hu; Song, Kaoping; Hilfer, R.Capillary number, understood as the ratio of viscous force to capillary force, is one of the most important parameters in enhanced oil recovery (EOR). It continues to attract the interest of scientists and engineers, because the nature and quantification of macroscopic capillary forces remain controversial. At least 41 different capillary numbers have been collected here from the literature. The ratio of viscous and capillary force enters crucially into capillary desaturation experiments. Although the ratio is length scale dependent, not all definitions of capillary number depend on length scale, indicating potential inconsistencies between various applications and publications. Recently, new numbers have appeared and the subject continues to be actively discussed. Therefore, a short review seems appropriate and pertinent.Item Open Access Cavity QED based on room temperature atoms interacting with a photonic crystal cavity : a feasibility study(2020) Alaeian, Hadiseh; Ritter, Ralf; Basic, Muamera; Löw, Robert; Pfau, TilmanThe paradigm of cavity QED is a two-level emitter interacting with a high-quality factor single-mode optical resonator. The hybridization of the emitter and photon wave functions mandates large vacuum Rabi frequencies and long coherence times; features that so far have been successfully realized with trapped cold atoms and ions, and localized solid-state quantum emitters such as superconducting circuits, quantum dots, and color centers Reiserer and Rempe (Rev Modern Phys 87:1379, 2015), Faraon et al. (Phys Rev 81:033838, 2010). Thermal atoms, on the other hand, provide us with a dense emitter ensemble and in comparison to the cold systems are more compatible with integration, hence enabling large-scale quantum systems. However, their thermal motion and large transit-time broadening is a major bottleneck that has to be circumvented. A promising remedy could benefit from the highly controllable and tunable electromagnetic fields of a nano-photonic cavity with strong local electric-field enhancements. Utilizing this feature, here we investigate the interaction between fast moving thermal atoms and a nano-beam photonic crystal cavity (PCC) with large quality factor and small mode volume. Through fully quantum mechanical calculations, including Casimir-Polder potential (i.e. the effect of the surface on radiation properties of an atom), we show, when designed properly, the achievable coupling between the flying atom and the cavity photon would be strong enough to lead to quantum interference effects in spite of short interaction times. In addition, the time-resolved detection of different trajectories can be used to identify single and multiple atom counts. This probabilistic approach will find applications in cavity QED studies in dense atomic media and paves the way towards realizing large-scale, room-temperature macroscopic quantum systems aimed at out of the lab quantum devices.Item Open Access Mass-producible micro-optical elements by injection compression molding and focused ion beam structured titanium molding tools(2020) Ristok, Simon; Roeder, Marcel; Thiele, Simon; Hentschel, Mario; Guenther, Thomas; Zimmermann, André; Herkommer, Alois; Giessen, HaraldItem Open Access 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, SimonFast 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.Item Open Access Heterodyne sensing of microwaves with a quantum sensor(2021) Meinel, Jonas; Vorobyov, Vadim; Yavkin, Boris; Dasari, Durga; Sumiya, Hitoshi; Onoda, Shinobu; Isoya, Junichi; Wrachtrup, JörgDiamond quantum sensors are sensitive to weak microwave magnetic fields resonant to the spin transitions. However, the spectral resolution in such protocols is ultimately limited by the sensor lifetime. Here, we demonstrate a heterodyne detection method for microwaves (MW) leading to a lifetime independent spectral resolution in the GHz range. We reference the MW signal to a local oscillator by generating the initial superposition state from a coherent source. Experimentally, we achieve a spectral resolution below 1 Hz for a 4 GHz signal far below the sensor lifetime limit of kilohertz. Furthermore, we show control over the interaction of the MW-field with the two-level system by applying dressing fields, pulsed Mollow absorption and Floquet dynamics under strong longitudinal radio frequency drive. While pulsed Mollow absorption leads to improved sensitivity, the Floquet dynamics allow robust control, independent from the system’s resonance frequency. Our work is important for future studies in sensing weak microwave signals in a wide frequency range with high spectral resolution.