Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 907
Created on: Tue, 14 May 2024 23:06:39 +0200 in 0.0547 sec


Öztürk, Emrah; Rheinberger, Klaus; Faulwasser, Timm; Worthmann, Karl; Preißinger, Markus
Aggregation of demand-side flexibilities: a comparative study of approximation algorithms. - In: Energies, ISSN 1996-1073, Bd. 15 (2022), 7, 2501, S. 1-14

Traditional power grids are mainly based on centralized power generation and subsequent distribution. The increasing penetration of distributed renewable energy sources and the growing number of electrical loads is creating difficulties in balancing supply and demand and threatens the secure and efficient operation of power grids. At the same time, households hold an increasing amount of flexibility, which can be exploited by demand-side management to decrease customer cost and support grid operation. Compared to the collection of individual flexibilities, aggregation reduces optimization complexity, protects households' privacy, and lowers the communication effort. In mathematical terms, each flexibility is modeled by a set of power profiles, and the aggregated flexibility is modeled by the Minkowski sum of individual flexibilities. As the exact Minkowski sum calculation is generally computationally prohibitive, various approximations can be found in the literature. The main contribution of this paper is a comparative evaluation of several approximation algorithms in terms of novel quality criteria, computational complexity, and communication effort using realistic data. Furthermore, we investigate the dependence of selected comparison criteria on the time horizon length and on the number of households. Our results indicate that none of the algorithms perform satisfactorily in all categories. Hence, we provide guidelines on the application-dependent algorithm choice. Moreover, we demonstrate a major drawback of some inner approximations, namely that they may lead to situations in which not using the flexibility is impossible, which may be suboptimal in certain situations.



https://doi.org/10.3390/en15072501
Mai, Patrick; Hampl, Jörg; Bača, Martin; Brauer, Dana; Singh, Sukhdeep; Weise, Frank; Borowiec, Justyna; Schmidt, André; Küstner, Johanna Merle; Klett, Maren; Gebinoga, Michael; Schroeder, Insa S.; Markert, Udo R.; Glahn, Felix; Schumann, Berit; Eckstein, Diana; Schober, Andreas
MatriGrid® based biological morphologies: tools for 3D cell culturing. - In: Bioengineering, ISSN 2306-5354, Bd. 9 (2022), 5, 220, S. 1-41

Recent trends in 3D cell culturing has placed organotypic tissue models at another level. Now, not only is the microenvironment at the cynosure of this research, but rather, microscopic geometrical parameters are also decisive for mimicking a tissue model. Over the years, technologies such as micromachining, 3D printing, and hydrogels are making the foundation of this field. However, mimicking the topography of a particular tissue-relevant substrate can be achieved relatively simply with so-called template or morphology transfer techniques. Over the last 15 years, in one such research venture, we have been investigating a micro thermoforming technique as a facile tool for generating bioinspired topographies. We call them MatriGrid®s. In this research account, we summarize our learning outcome from this technique in terms of the influence of 3D micro morphologies on different cell cultures that we have tested in our laboratory. An integral part of this research is the evolution of unavoidable aspects such as possible label-free sensing and fluidic automatization. The development in the research field is also documented in this account.



https://doi.org/10.3390/bioengineering9050220
Hörsch, Florian;
Checking the admissibility of odd-vertex pairings is hard. - In: Discrete applied mathematics, ISSN 1872-6771, Bd. 317 (2022), S. 42-48

Nash-Williams proved that every graph has a well-balanced orientation. A key ingredient in his proof is admissible odd-vertex pairings. We show that for two slightly different definitions of admissible odd-vertex pairings, deciding whether a given odd-vertex pairing is admissible is co-NP-complete. This resolves a question of Frank. We also show that deciding whether a given graph has an orientation that satisfies arbitrary local arc-connectivity requirements is NP-complete.



https://doi.org/10.1016/j.dam.2022.04.004
Rothe, Karl; Néel, Nicolas; Bocquet, Marie-Laure; Kröger, Jörg
Quantifying force and energy in single-molecule metalation. - In: Journal of the American Chemical Society, ISSN 1520-5126, Bd. 144 (2022), 16, S. 7054-7057

An atomic force microscope is used to determine the attractive interaction at the verge of adding a Ag atom from the probe to a single free-base phthalocyanine molecule adsorbed on Ag(111). The experimentally extracted energy for the spontaneous atom transfer can be compared to the energy profile determined by density functional theory using the nudged-elastic-band method at a defined probe-sample distance.



https://doi.org/10.1021/jacs.2c00900
De Santis, Marianna; Eichfelder, Gabriele; Patria, Daniele
On the exactness of the ε-constraint method for biobjective nonlinear integer programming. - In: Operations research letters, ISSN 0167-6377, Bd. 50 (2022), 3, S. 356-361

The ε-constraint method is a well-known scalarization technique used for multiobjective optimization. We explore how to properly define the step size parameter of the method in order to guarantee its exactness when dealing with biobjective nonlinear integer problems. Under specific assumptions, we prove that the number of subproblems that the method needs to address to detect the complete Pareto front is finite. We report numerical results on portfolio optimization instances built on real-world data and show a comparison with an existing criterion space algorithm.



https://doi.org/10.1016/j.orl.2022.04.007
Link, Steffen; Dimitrova, Anna; Krischok, Stefan; Ivanov, Svetlozar
Reversible sodiation of electrochemically deposited binder- and conducting additive-free Si-O-C composite layers. - In: Energy technology, ISSN 2194-4296, Bd. 10 (2022), 5, 2101164, S. 1-9

Binder- and conducting additive-free Si-O-C composite layers are deposited electrochemically under potentiostatic conditions from sulfolane-based organic electrolyte. Quartz crystal microbalance with damping monitoring is used for evaluation of the layer growth and its physical properties. The sodiation-desodiation performance of the material is afterward explored in Na-ion electrolyte. In terms of specific capacity, rate capability, and long-term electrochemical stability, the experiments confirm the advantages of applying the electrochemically formed Si-O-C structure as anode for Na-ion batteries. The material displays high (722 mAh g^-1) initial reversible capacity at j = 70 mA g^-1 and preserves stable long-term capacity of 540 mAh g^-1 for at least 400 galvanostatic cycles, measured at j = 150 mA g^-1. The observed high performance can be attributed to its improved mechanical stability and accelerated Na-ion transport in the porous anode structure. The origin of the material electroactivity is revealed based on X-Ray photoelectron spectroscopic analysis of pristine (as deposited), sodiated, and desodiated Si-O-C layers. The evaluation of the spectroscopic data indicates reversible activity of the material due to the complex contribution of carbon and silicon redox centers.



https://doi.org/10.1002/ente.202101164
Grundel, Sara; Heyder, Stefan; Hotz, Thomas; Ritschel, Tobias K. S.; Sauerteig, Philipp; Worthmann, Karl
How much testing and social distancing is required to control COVID-19? : some insight based on an age-differentiated compartmental model. - In: SIAM journal on control and optimization, ISSN 1095-7138, Bd. 60 (2022), 2, S. S145-S169

In this paper, we provide insights on how much testing and social distancing is required to control COVID-19. To this end, we develop a compartmental model that accounts for key aspects of the disease: incubation time, age-dependent symptom severity, and testing and hospitalization delays; the model's parameters are chosen based on medical evidence, and, for concreteness, adapted to the German situation. Then, optimal mass-testing and age-dependent social distancing policies are determined by solving optimal control problems both in open loop and within a model predictive control framework. We aim to minimize testing and/or social distancing until herd immunity sets in under a constraint on the number of available intensive care units. We find that an early and short lockdown is inevitable but can be slowly relaxed over the following months.



https://doi.org/10.1137/20M1377783
Yang, Guowei; Wu, Yuhan; Fu, Qun; Zhao, Huaping; Lei, Yong
Nanostructured metal selenides as anodes for potassium-ion batteries. - In: Sustainable energy & fuels, ISSN 2398-4902, Bd. 6 (2022), 9, S. 2087-2112

In next-generation rechargeable batteries, potassium-ion batteries (KIBs) have been deemed to be one of the most promising candidates as a complement for lithium-ion batteries. Anodes as a component of ion batteries have a great effect on the safety and electrochemical performance. Among various developed anode materials, metal selenides (MSs) have been a popular option by merits of their superior material properties and high specific capacities. However, they are restricted by some intrinsic problems, such as large volume expansion and severe side reactions during electrochemical reactions, which limit their application to a certain degree. The strategy of structural design can endow MSs with superior material and electrochemical properties, making MSs exhibit better electrochemical performance. In this review, we summarize the recent advances in nanostructured MCs as KIB anodes. Meanwhile, their electrochemical reaction mechanisms and material synthesis methods are introduced briefly. Finally, the present challenges and future research directions are discussed.



https://doi.org/10.1039/D2SE00067A
Zhang, Ying; Tao, Jie; Zhang, Chenglin; Zhao, Huaping; Lei, Yong
KOH activated nitrogen and oxygen co-doped tubular carbon clusters as anode material for boosted potassium-ion storage capability. - In: Nanotechnology, ISSN 1361-6528, Bd. 33 (2022), 29, 295403, S. 1-9

Carbon nanomaterials have become a promising anode material for potassium-ion batteries (KIBs) due to their abundant resources, low cost, and excellent conductivity. However, among carbon materials, the sluggish reaction kinetics and inferior cycle life severely restrict their commercial development as KIBs anodes. It is still a huge challenge to develop carbon materials with various structural advantages and ideal electrochemical properties. Therefore, it is imperative to find a carbon material with heteroatom doping and suitable nanostructure to achieve excellent electrochemical performance. Benefiting from a Na2SO4 template-assisted method and KOH activation process, the KOH activated nitrogen and oxygen co-doped tubular carbon (KNOCTC) material with a porous structure exhibits an impressive reversible capacity of 343 mAh g^-1 at 50 mA g^-1 and an improved cyclability of 137 mAh g^-1 at 2 A g^-1 after 3000 cycles with almost no capacity decay. The kinetic analysis indicates that the storage mechanism in KNOCTC is attributed to the pseudocapacitive process during cycling. Furthermore, the new synthesis route of KNOCTC provides a new opportunity to explore carbon-based potassium storage anode materials with high capacity and cycling performance.



https://doi.org/10.1088/1361-6528/ac6527
Bača, Martin; Brauer, Dana; Klett, Maren; Fernekorn, Uta; Singh, Sukhdeep; Hampl, Jörg; Groß, Gregor Alexander; Mai, Patrick; Friedel, Karin; Schober, Andreas
Automated analysis of acetaminophen toxicity on 3D HepaRG cell culture in microbioreactor. - In: Bioengineering, ISSN 2306-5354, Bd. 9 (2022), 5, 196, S. 1-16

Real-time monitoring of bioanalytes in organotypic cell cultivation devices is a major research challenge in establishing stand-alone diagnostic systems. Presently, no general technical facility is available that offers a plug-in system for bioanalytics in diversely available organotypic culture models. Therefore, each analytical device has to be tuned according to the microfluidic and interface environment of the 3D in vitro system. Herein, we report the design and function of a 3D automated culture and analysis device (3D-ACAD) which actively perfuses a custom-made 3D microbioreactor, samples the culture medium and simultaneously performs capillary-based flow ELISA. A microstructured MatriGrid® has been explored as a 3D scaffold for culturing HepaRG cells, with albumin investigated as a bioanalytical marker using flow ELISA. We investigated the effect of acetaminophen (APAP) on the albumin secretion of HepaRG cells over 96 h and compared this with the albumin secretion of 2D monolayer HepaRG cultures. Automated on-line monitoring of albumin secretion in the 3D in vitro mode revealed that the application of hepatotoxic drug-like APAP results in decreased albumin secretion. Furthermore, a higher sensitivity of the HepaRG cell culture in the automated 3D-ACAD system to APAP was observed compared to HepaRG cells cultivated as a monolayer. The results support the use of the 3D-ACAD model as a stand-alone device, working in real time and capable of analyzing the condition of the cell culture by measuring a functional analyte. Information obtained from our system is compared with conventional cell culture and plate ELISA, the results of which are presented herein.



https://doi.org/10.3390/bioengineering9050196