Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 897
Created on: Fri, 26 Apr 2024 23:12:27 +0200 in 0.0540 sec


Köster, Felix; Patel, Dhruvit; Wikner, Alexander; Jaurigue, Lina; Lüdge, Kathy
Data-informed reservoir computing for efficient time-series prediction. - In: Chaos, ISSN 1089-7682, Bd. 33 (2023), 7, 073109, S. 073109-1-073109-11

We propose a new approach to dynamical system forecasting called data-informed-reservoir computing (DI-RC) that, while solely being based on data, yields increased accuracy, reduced computational cost, and mitigates tedious hyper-parameter optimization of the reservoir computer (RC). Our DI-RC approach is based on the recently proposed hybrid setup where a knowledge-based model is combined with a machine learning prediction system, but it replaces the knowledge-based component by a data-driven model discovery technique. As a result, our approach can be chosen when a suitable knowledge-based model is not available. We demonstrate our approach using a delay-based RC as the machine learning component in conjunction with sparse identification of nonlinear dynamical systems for the data-driven model component. We test the performance on two example systems: the Lorenz system and the Kuramoto-Sivashinsky system. Our results indicate that our proposed technique can yield an improvement in the time-series forecasting capabilities compared with both approaches applied individually, while remaining computationally cheap. The benefit of our proposed approach, compared with pure RC, is most pronounced when the reservoir parameters are not optimized, thereby reducing the need for hyperparameter optimization.



https://doi.org/10.1063/5.0152311
Phi, Hai Binh; Bohm, Sebastian; Runge, Erich; Dittrich, Lars; Strehle, Steffen
3D passive microfluidic valves in silicon and glass using grayscale lithography and reactive ion etching transfer. - In: Microfluidics and nanofluidics, ISSN 1613-4990, Bd. 27 (2023), 8, 55, S. 1-12

A fabrication strategy for high-efficiency passive three-dimensional microfluidic valves with no mechanical parts fabricated in silicon and glass substrates is presented. 3D diffuser-nozzle valve structures were produced and characterized in their added value in comparison to conventional diffuser-nozzle valve designs with rectangular cross sections. A grayscale lithography approach for 3D photoresist structuring combined with a proportional transfer by reactive ion etching allowed to transfer 3D resist valve designs with high precision into the targeted substrate material. The efficiency with respect to the rectification characteristics or so-called diodicity of the studied valve designs is defined as the ratio of the pressure drops in backward and forward flow directions. The studied valve designs were characterized experimentally as well as numerically based on finite element simulations with overall matching results that demonstrate a significantly improved flow rectification of the 3D valves compared to the corresponding conventional structure. Our novel 3D valve structures show, for instance, even without systematic optimization a measured diodicity of up to 1.5 at low flow rates of only about 10 μl/s.



https://doi.org/10.1007/s10404-023-02663-2
van Steijn, Leonie; Wondergem, Joeri A. J.; Schakenraad, Koen; Heinrich, Doris; Merks, Roeland M. H.
Deformability and collision-induced reorientation enhance cell topotaxis in dense microenvironments. - In: Biophysical journal, ISSN 1542-0086, Bd. 122 (2023), 13, S. 2791-2807

In vivo, cells navigate through complex environments filled with obstacles such as other cells and the extracellular matrix. Recently, the term “topotaxis” has been introduced for navigation along topographic cues such as obstacle density gradients. Experimental and mathematical efforts have analyzed topotaxis of single cells in pillared grids with pillar density gradients. A previous model based on active Brownian particles (ABPs) has shown that ABPs perform topotaxis, i.e., drift toward lower pillar densities, due to decreased effective persistence lengths at high pillar densities. The ABP model predicted topotactic drifts of up to 1% of the instantaneous speed, whereas drifts of up to 5% have been observed experimentally. We hypothesized that the discrepancy between the ABP and the experimental observations could be in 1) cell deformability and 2) more complex cell-pillar interactions. Here, we introduce a more detailed model of topotaxis based on the cellular Potts model (CPM). To model persistent cells we use the Act model, which mimics actin-polymerization-driven motility, and a hybrid CPM-ABP model. Model parameters were fitted to simulate the experimentally found motion of Dictyostelium discoideum on a flat surface. For starved D. discoideum, the topotactic drifts predicted by both CPM variants are closer to the experimental results than the previous ABP model due to a larger decrease in persistence length. Furthermore, the Act model outperformed the hybrid model in terms of topotactic efficiency, as it shows a larger reduction in effective persistence time in dense pillar grids. Also pillar adhesion can slow down cells and decrease topotaxis. For slow and less-persistent vegetative D. discoideum cells, both CPMs predicted a similar small topotactic drift. We conclude that deformable cell volume results in higher topotactic drift compared with ABPs, and that feedback of cell-pillar collisions on cell persistence increases drift only in highly persistent cells.



https://doi.org/10.1016/j.bpj.2023.06.001
Ren, Jie; Ran, Yan; Yang, Zhi Chao; Zhao, Huaping; Wang, Yude; Lei, Yong
Boosting material utilization via direct growth of Zn2(V3O8)2 on the carbon cloth as a cathode to achieve a high-capacity aqueous zinc-ion battery. - In: Small, ISSN 1613-6829, Bd. 19 (2023), 46, 2303307, S. 1-10

Aqueous zinc-ion batteries (AZIBs) have attracted the attention of researchers because of their high theoretical capacity and safety. Among the many vanadium-based AZIB cathode materials, zinc vanadate is of great interest as a typical phase in the dis-/charge process. Here, a remarkable method to improve the utilization rate of zinc vanadate cathode materials is reported. In situ growth of Zn2(V3O8)2 on carbon cloth (CC) as the cathode material (ZVOCC) of AZIBs. Compared with the Zn2(V3O8)2 cathode material bonded on titanium foil (ZVO@Ti), the specific capacity increases from 300 to 420 mAh g−1, and the utilization rate of the material increases from 69.60% to 99.2%. After the flexible device is prepared, it shows the appropriate specific capacity (268.4 mAh g−1 at 0.1 A g−1) and high safety. The method proposed in this work improves the material utilization rate and enhances the energy density of AZIB and also has a certain reference for the other electrochemical energy storage devices.



https://doi.org/10.1002/smll.202303307
Eichfelder, Gabriele; Gerlach, Tobias; Warnow, Leo
A test instance generator for multiobjective mixed-integer optimization. - In: Mathematical methods of operations research, ISSN 1432-5217, Bd. 0 (2023), 0, insges. 26 S.

Application problems can often not be solved adequately by numerical algorithms as several difficulties might arise at the same time. When developing and improving algorithms which hopefully allow to handle those difficulties in the future, good test instances are required. These can then be used to detect the strengths and weaknesses of different algorithmic approaches. In this paper we present a generator for test instances to evaluate solvers for multiobjective mixed-integer linear and nonlinear optimization problems. Based on test instances for purely continuous and purely integer problems with known efficient solutions and known nondominated points, suitable multiobjective mixed-integer test instances can be generated. The special structure allows to construct instances scalable in the number of variables and objective functions. Moreover, it allows to control the resulting efficient and nondominated sets as well as the number of efficient integer assignments.



https://doi.org/10.1007/s00186-023-00826-z
Peh, Katharina; Flötotto, Aaron; Lauer, Kevin; Schulze, Dirk; Bratek, Dominik; Krischok, Stefan
Calibration of low-temperature photoluminescence of boron-doped silicon with increased temperature precision. - In: Physica status solidi, ISSN 1521-3951, Bd. 260 (2023), 10, 2300300, S. 1-5

https://doi.org/10.1002/pssb.202300300
Assanova, Anar; Trunk, Carsten; Uteshova, Roza
On the solvability of boundary value problems for linear differential-algebraic equations with constant coefficients. - Ilmenau : Technische Universität Ilmenau, Institut für Mathematik, 2023. - 1 Online-Ressource (7 Seiten). - (Preprint ; M23,06)

We study a two-point boundary value problem for a linear differential-algebraic equation with constant coefficients by using the method of parameterization. The parameter is set as the value of the continuously differentiable component of the solution at the left endpoint of the interval. Applying the Weierstrass canonical form to the matrix pair associated with the differential-algebraic equation, we obtain a criterion for the unique solvability of the problem.



https://nbn-resolving.org/urn:nbn:de:gbv:ilm1-2023200182
Mazétyté-Stasinskiené, Raminta; Kronfeld, Klaus-Peter; Köhler, Michael
Five-level structural hierarchy: microfluidically supported synthesis of core-shell microparticles containing nested set of dispersed metal and polymer micro and nanoparticles. - In: Particle & particle systems characterization, ISSN 1521-4117, Bd. 14 (2023), 10, 2300030, S. 1-13

This study presents the development of a hierarchical design concept for the synthesis of multi-scale polymer particles with up to five levels of organization. The synthesis of core-shell microparticles containing nested sets of dispersed metal and polymer micro- and nanoparticles is achieved through in situ photopolymerization using a double co-axial capillaries microfluidic device. The flow rates of the carrier, shell, and core phases are optimized to control particle size and result in stable core-shell particles with well-dispersed three-level composites in the shell matrix. The robustness and reversibility of these core-shell particles are demonstrated through five cycles of drying and re-swelling, showing that the size and structure of core-shell particles remain unchanged. Additionally, the permeability and mobility of dye molecules within the shell matrix are tested and showed that different molecular weight dyes have different penetration times. This study highlights the potential of microfluidics as a powerful tool for the controlled and precise synthesis of complex structured materials and demonstrates the versatility and potential of these core-shell particles for sensing applications as particle-based surface-enhanced Raman scattering (SERS).



https://doi.org/10.1002/ppsc.202300030
Mathew, Sobin; Abedin, Saadman; Kurtash, Vladislav; Lebedev, Sergei P.; Lebedev, Alexander A.; Hähnlein, Bernd; Stauffenberg, Jaqueline; Jacobs, Heiko O.; Pezoldt, Jörg
Evaluation of hysteresis response in achiral edges of graphene nanoribbons on semi-insulating SiC. - In: Materials science forum, ISSN 1662-9752, Bd. 1089 (2023), S. 15-22

Hysteresis response of epitaxially grown graphene nanoribbons devices on semi-insulating 4H-SiC in the armchair and zigzag directions is evaluated and studied. The influence of the orientation of fabrication and dimensions of graphene nanoribbons on the hysteresis effect reveals the metallic and semiconducting nature graphene nanoribbons. The hysteresis response of armchair based graphene nanoribbon side gate and top gated devices implies the influence of gate field electric strength and the contribution of surface traps, adsorbents, and initial defects on graphene as the primary sources of hysteresis. Additionally, passivation with AlOx and top gate modulation decreased the hysteresis and improved the current-voltage characteristics.



https://doi.org/10.4028/p-i2s1cm
Endres, Patrick; Schütt, Timo; Kimmig, Julian; Bode, Stefan; Hager, Martin; Geitner, Robert; Schubert, Ulrich Sigmar
Oxymethylene ether (OME) fuel catalyst screening using in situ NMR spectroscopy. - In: Chemistry - a European journal, ISSN 1521-3765, Bd. 29 (2023), 33, e202203776, S. 1-9

Online NMR measurements are introduced in the current study as a new analytical setup for investigation of the oxymethylene dimethyl ether (OME) synthesis. For the validation of the setup, the newly established method is compared with state-of-the-art gas chromatographic analysis. Afterwards, the influence of different parameters, such as temperature, catalyst concentration and catalyst type on the OME fuel formation based on trioxane and dimethoxymethane is investigated. As catalysts, AmberlystTM 15 (A15) and trifluoromethanesulfonic acid (TfOH) are utilized. A kinetic model is applied to describe the reaction in more detail. Based on these results, the activation energy (A15: 48.0 kJ mol^-1 and TfOH: 72.3 kJ mol^-1) and the order in catalyst (A15: 1.1 and TfOH: 1.3) are calculated and discussed.



https://doi.org/10.1002/chem.202203776