Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 890
Created on: Mon, 15 Apr 2024 23:06:48 +0200 in 0.0881 sec


Bartel, Andreas; Günther, Michael; Jacob, Birgit; Reis, Timo
Operator splitting based dynamic iteration for linear differential-algebraic port-Hamiltonian systems. - In: Numerische Mathematik, ISSN 0945-3245, Bd. 155 (2023), 1, S. 1-34

A dynamic iteration scheme for linear differential-algebraic port-Hamiltonian systems based on Lions-Mercier-type operator splitting methods is developed. The dynamic iteration is monotone in the sense that the error is decreasing and no stability conditions are required. The developed iteration scheme is even new for linear port-Hamiltonian systems governed by ODEs. The obtained algorithm is applied to a multibody system and an electrical network.



https://doi.org/10.1007/s00211-023-01369-5
Hou, Shengping; Xie, Zhipeng; Zhang, Da; Yang, Bin; Lei, Yong; Liang, Feng
High-purity graphene and carbon nanohorns prepared by base-acid treated waste tires carbon via direct current arc plasma. - In: Environmental research, ISSN 1096-0953, Volume 238 (2023), part 1, 117071

As the accumulation of waste tires continues to rise year by year, effectively managing and recycling these discarded materials has become an urgent global challenge. Among various potential solutions, pyrolysis stands out due to its superior environmental compatibility and remarkable efficiency in transforming waste tires into valuable products. Thus, it is considered the most potential method for disposing these tires. In this work, waste tire powder is pyrolyzed at 560 ˚C to yield pyrolysis carbon black, and meanwhile, the purification effects of base-acid solutions on pyrolysis carbon black are discussed. High-purity few-layer graphene flakes and carbon nanohorns are synthesized by a direct current arc plasma with H2 and N2 as buffer gases and high-purity pyrolysis carbon black as raw material. Under an H2 atmosphere, hydrogen effectively terminates the suspended carbon bonds, preventing the formation of closed structures and facilitating the expansion of graphene sheets. During the preparation of carbon nanohorns, the nitrogen atoms rapidly bond with carbon atoms, forming essential C-N bonds. This nitrogen doping promotes the formation of carbon-based five-membered and seven-membered rings and makes the graphite lamellar change in the direction of towards negative curvature. Consequently, such change facilitates the formation of conical structures, ultimately yielding the coveted carbon nanohorns. This work not only provides an economical raw material for efficient large-scale synthesis of few-layer graphene and carbon nanohorns but also broadens the intrinsic worth of pyrolysis carbon black, which is beneficial to improving the recycling value of waste tires.



https://doi.org/10.1016/j.envres.2023.117071
Finkelmeyer, Sarah; Askins, Erik J.; Eichhorn, Jonas; Ghosh, Soumik; Siegmund, Carmen; Täuscher, Eric; Dellith, Andrea; Hupfer, Maximilian; Dellith, Jan; Ritter, Uwe; Strzalka, Joseph; Glusac, Ksenija; Schacher, Felix; Presselt, Martin
Tailoring the weight of surface and intralayer edge states to control LUMO energies. - In: Advanced materials, ISSN 1521-4095, Bd. 35 (2023), 40, 2305006, S. 1-11

The energies of the frontier molecular orbitals determine the optoelectronic properties in organic films, which are crucial for their application, and strongly depend on the morphology and supramolecular structure. The impact of the latter two properties on the electronic energy levels relies primarily on nearest-neighbor interactions, which are difficult to study due to their nanoscale nature and heterogeneity. Here, an automated method is presented for fabricating thin films with a tailored ratio of surface to bulk sites and a controlled extension of domain edges, both of which are used to control nearest-neighbor interactions. This method uses a Langmuir–Schaefer-type rolling transfer of Langmuir layers (rtLL) to minimize flow during the deposition of rigid Langmuir layers composed of π-conjugated molecules. Using UV–vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy, it is shown that the rtLL method advances the deposition of multi-Langmuir layers and enables the production of films with defined morphology. The variation in nearest-neighbor interactions is thus achieved and the resulting systematically tuned lowest unoccupied molecular orbital (LUMO) energies (determined via square-wave voltammetry) enable the establishment of a model that functionally relates the LUMO energies to a morphological descriptor, allowing for the prediction of the range of accessible LUMO energies.



https://doi.org/10.1002/adma.202305006
Yu, Yan; He, Guping; Zhu, Ximiao; Yu, Jiahai; Shi, Yiwen; Lei, Yong; Sun, Fengqiang
A flexible humidity sensor constructed by ordered-pore-array of slightly reduced graphene oxide with much enhanced sensing response. - In: Surfaces and Interfaces, ISSN 2468-0230, Bd. 41 (2023), 103204

Reduced graphene oxide (rGO) flexible film humidity sensor has received increasing attention, but the low sensing response caused by lack of available hydrophilic functional groups is still a limitation. Herein, a slightly reduced graphene oxide (SrGO) ordered-pore-array, fabricated via a monolayer colloid crystal template method, was introduced as a resistive humidity sensor. It was obtained based on adsorption between the GO sheets and the template microspheres, in-situ slight reduction of the GO shells and the removal of template. The reduction way allows the functional groups of GO to be retained as much as possible, and the unique structures (e.g., spherical double surfaces and small through-holes on pore-walls) facilitate the substantial exposure of functional groups, the penetration of water molecules and the utilization of buried functional groups. The available functional groups are thereby efficiently increased, giving the sensor an unprecedented high sensing response, more than 2600 times the maximum response of existing rGO sensors. The sensor also demonstrated excellent practical characteristics, and by detecting a single exhale, it could be employed in quick and quantitative evaluation of human activities and health. This strategy paves a facile and promising route to improve the sensing response and application of graphene-based humidity sensors or gas sensors.



https://doi.org/10.1016/j.surfin.2023.103204
Kumar, Niranjan; Panda, Kalpataru; Pleshkov, Roman S.; Nezhdanov, Aleksey V.; Polkovnikov, Vladimir N.; Yunin, Pavel A.; Chkhalo, Nikolay I.
High thermal stability of the reflectivity of Be/Al multilayer mirrors designed for extreme ultraviolet wavelength. - In: Surfaces and Interfaces, ISSN 2468-0230, Volume 42 (2023), part A, 103404

Superior optical contrast due to the combination of beryllium and aluminum in periodic Be/Al multilayers is the reason for effective reflectivity of these mirrors at extreme ultraviolet wavelength i.e. 17 nm. Depending on the thickness of the layers and annealing temperature, microstructure of beryllium and aluminum layers in periodic multilayers was investigated by Raman scattering spectroscopy and X-ray diffraction. Thinner film of beryllium showed more ordered structure which is qualitatively determined by narrow linewidth of optical phonon. The nucleation and grain growth of beryllium and aluminum is observed at higher annealing temperature. However, the effect of annealing on the modification of microstructure of beryllium and aluminum at lower temperature 373 K is not observed. This is the reason for almost similar value of reflectivity of ∼ 55 % for as-deposited and thermally annealed mirror at 373 K. At higher annealing temperature, the complete loss of reflectivity is observed, associated with the destruction of periodic modulation of mirrors due to interdiffusion, nucleation and grain growth of beryllium and aluminum.



https://doi.org/10.1016/j.surfin.2023.103414
Zeußel, Lisa; Singh, Sukhdeep
Meldrum’s acid furfural conjugate MAFC: a new entry as chromogenic sensor for specific amine identification. - In: Molecules, ISSN 1420-3049, Bd. 28 (2023), 18, 6627, S. 1-17

Bioactive amines are highly relevant for clinical and industrial application to ensure the metabolic status of a biological process. Apart from this, generally, amine identification is a key step in various bioorganic processes ranging from protein chemistry to biomaterial fabrication. However, many amines have a negative impact on the environment and the excess intake of amines can have tremendous adverse health effects. Thus, easy, fast, sensitive, and reliable sensing methods for amine identification are strongly searched for. In the past few years, Meldrum’s acid furfural conjugate (MAFC) has been extensively explored as a starting material for the synthesis of photoswitchable donor-acceptor Stenhouse adducts (DASA). DASA formation hereby results from the rapid reaction of MAFC with primary and secondary amines, which has so far been demonstrated through numerous publications for different applications. The linear form of the MAFC-based DASA exhibits intense pink coloration due to its linear conjugated triene-2-ol conformation, which has inspired researchers to use this easy synthesizable molecule as an optical sensor for primary, secondary, and biogenic amines. Due to its new entry into amine identification, a collection of the literature exclusively on MAFC is demanded. In this mini review, we intend to present the state-of-the-art of MAFC as an optical molecular sensor in hopes to motivate researchers to find even more applications of MAFC-based sensors and methods that pave the way to their usage in medicinal applications.



https://doi.org/10.3390/molecules28186627
Rakhmanova, Saparboy; Trunk, Carsten; Matrasulov, Davronbek
Quantum particle under dynamical confinement: from quantum Fermi acceleration to high harmonic generation. - Ilmenau : Technische Universität Ilmenau, Institut für Mathematik, 2023. - 1 Online-Ressource (15 Seiten). - (Preprint ; M23,09)

Quantum dynamics of a particle confined in a box with time-dependent wall is revisited by considering some unexplored aspects of the problem. In particular, the case of dynamical confinement in a time-dependent box in the presence of purely time-varying external potential is treated by obtaining exact solution. Also, some external potentials approving separation of space and time variables in the Schrödinger equation with time-dependent boundary conditions are classified. Time-dependence of the average kinetic energy and average quantum force are analyzed. A model for optical high harmonic generation in the presence of dynamical confinement and external linearly polarized monochromatic field is proposed.



https://nbn-resolving.org/urn:nbn:de:gbv:ilm1-2023200218
Köhler, Michael; Ehrhardt, Linda; Cao-Riehmer, Jialan; Möller, Frances; Schüler, Tim; Günther, Mike
Beta-diversity enhancement by archaeological structures: bacterial communities of an historical tannery area of the city of Jena (Germany) reflect the ancient human impact. - In: Ecologies, ISSN 2673-4133, Bd. 4 (2023), 2, S. 325-343

Soil samples taken during archaeological investigations of a historical tannery area in the eastern suburb of the medieval city of Jena have been investigated by 16S r-RNA gene profiling. The analyses supplied a large spectrum of interesting bacteria, among them Patescibacteria, Methylomirabilota, Asgardarchaeota, Zixibacteria, Sideroxydans and Sulfurifustis. Samples taken from soil inside the residues of large vats show large differences in comparison to the environmental soil. The PCAs for different abundance classes clearly reflect the higher similarity between the bacterial communities of the outside-vat soils in comparison with three of the inside-vat soil communities. Two of the in-side vat soils are distinguishable from the other samples by separate use of each abundance class, but classes of lower abundance are better applicable than the highly abundant bacteria for distinguishing the sampling sites by PCA, in general. This effect could be interpreted by the assumption that less abundant types in the 16S r-RNA data tend to be more related to an earlier state of soil development than the more abundant and might be, therefore, better suited for conclusions on the state of the soils in an earlier local situation. In addition, the analyses allowed identification of specific features of each single sampling site. In one site specifically, DNA hints of animal residue-related bacteria were found. Obviously, the special situation in the in-site vat soils contributes to the diversity of the place, and enhances its Beta-diversity. Very high abundancies of several ammonia-metabolizing and of sulphur compound-oxidizing genera in the metagenomics data can be interpreted as an echo of the former tannery activities using urine and processing keratin-rich animal materials. In summary, it can be concluded that the 16S r-RNA analysis of such archaeological places can supply a lot of data related to ancient human impacts, representing a kind of “ecological memory of soil”.



https://doi.org/10.3390/ecologies4020021
Eichfelder, Gabriele; Stein, Oliver; Warnow, Leo
A solver for multiobjective mixed-integer convex and nonconvex optimization. - In: Journal of optimization theory and applications, ISSN 1573-2878, Bd. 0 (2023), 0, insges. 31 S.

This paper proposes a general framework for solving multiobjective nonconvex optimization problems, i.e., optimization problems in which multiple objective functions have to be optimized simultaneously. Thereby, the nonconvexity might come from the objective or constraint functions, or from integrality conditions for some of the variables. In particular, multiobjective mixed-integer convex and nonconvex optimization problems are covered and form the motivation of our studies. The presented algorithm is based on a branch-and-bound method in the pre-image space, a technique which was already successfully applied for continuous nonconvex multiobjective optimization. However, extending this method to the mixed-integer setting is not straightforward, in particular with regard to convergence results. More precisely, new branching rules and lower bounding procedures are needed to obtain an algorithm that is practically applicable and convergent for multiobjective mixed-integer optimization problems. Corresponding results are a main contribution of this paper. What is more, for improving the performance of this new branch-and-bound method we enhance it with two types of cuts in the image space which are based on ideas from multiobjective mixed-integer convex optimization. Those combine continuous convex relaxations with adaptive cuts for the convex hull of the mixed-integer image set, derived from supporting hyperplanes to the relaxed sets. Based on the above ingredients, the paper provides a new multiobjective mixed-integer solver for convex problems with a stopping criterion purely in the image space. What is more, for the first time a solver for multiobjective mixed-integer nonconvex optimization is presented. We provide the results of numerical tests for the new algorithm. Where possible, we compare it with existing procedures.



https://doi.org/10.1007/s10957-023-02285-2
Thurn, Andreas; Bissinger, Jochen; Meinecke, Stefan; Schmiedeke, Paul; Oh, Sang Soon; Chow, Weng W.; Lüdge, Kathy; Koblmüller, Gregor; Finley, Jonathan
Self-induced ultrafast electron-hole-plasma temperature oscillations in nanowire lasers. - In: Physical review applied, ISSN 2331-7019, Bd. 20 (2023), 3, S. 034045-1-034045-12

Nanowire lasers can be monolithically and site-selectively integrated onto silicon photonic circuits. To assess their full potential for ultrafast optoelectronic devices, a detailed understanding of their lasing dynamics is crucial. However, the roles played by their resonator geometry and the microscopic processes that mediate energy exchange between the photonic, electronic, and phononic subsystems are largely unexplored. Here, we study the dynamics of GaAs-AlGaAs core-shell nanowire lasers at cryogenic temperatures using a combined experimental and theoretical approach. Our results indicate that these NW lasers exhibit sustained intensity oscillations with frequencies ranging from 160GHz to 260GHz. As the underlying physical mechanism, we have identified self-induced electron-hole plasma temperature oscillations resulting from a dynamic competition between photoinduced carrier heating and cooling via phonon scattering. These dynamics are intimately linked to the strong interaction between the lasing mode and the gain material, which arises from the wavelength-scale dimensions of these lasers. We anticipate that our results could lead to optimised approaches for ultrafast intensity and phase modulation of chip-integrated semiconductor lasers at the nanoscale.



https://doi.org/10.1103/PhysRevApplied.20.034045