Publikationen an der Fakultät für Mathematik und Naturwissenschaften ab 2019

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Bang-Jensen, Jørgen; Bessy, Stéphane; Huang, Jing; Kriesell, Matthias
Good orientations of unions of edge-disjoint spanning trees. - In: Journal of graph theory, ISSN 1097-0118, Bd. 96 (2021), 4, S. 594-618

In this paper, we exhibit connections between the following subjects: Tree packing in graphs and digraphs (both behave completely different), the rigidity matroid of a graph, Henneberg moves on trees, the conjectures of Thomassen and Matthews and Sumner, and (s,t)-orderings of digraphs. We do this by studying graphs which admit acyclic orientations that contain an out-branching and in-branching which are arc-disjoint (such an orientation is called good). A 2T-graph is a graph whose edge set can be decomposed into two edge-disjoint spanning trees. It is a well-known result due to Tutte and Nash-Williams, respectively, that every 4-edge-connected graph contains a spanning 2T-graph. Vertex-minimal 2T-graphs with at least two vertices which are known as generic circuits play an important role in rigidity theory for graphs. We prove that every generic circuit has a good orientation. Using this result we prove that if G is 2T-graph whose vertex set has a partition V1,V2, ,Vk so that each Vi induces a generic circuit Gi of G and the set of edges between different Gi's form a matching in G, then G has a good orientation. We also obtain a characterization for the case when the set of edges between different Gi's form a double tree, that is, if we contract each Gi to one vertex, and delete parallel edges we obtain a tree. All our proofs are constructive and imply polynomial algorithms for finding the desired good orderings and the pairs of arc-disjoint branchings which certify that the orderings are good. We identify a structure which can be used to certify that a given 2T-graph does not have a good orientation.



https://doi.org/10.1002/jgt.22633
Meier, Lukas; Braun, Christian; Hannappel, Thomas; Schmidt, W. Gero
Band alignment at GaxIn1-xP/AlyIn1-yP alloy interfaces from hybrid density functional theory calculations. - In: Physica status solidi, ISSN 1521-3951, Bd. 258 (2021), 2, 2000463, insges. 4 S.

The composition dependence of the natural band alignment at the GaxIn1-xP/AlyIn1-yP alloy interface is investigated via hybrid functional based density functional theory. The direct-indirect crossover for the GaxIn1-xP and AlyIn1-yP alloys is calculated to occur for x = 0.9 and y = 0.43. The calculated GaxIn1-xP/AlyIn1-yP interface band alignment shows a crossover from type-I to type-II with increasing Ga content x. The valence band offset is essentially positive irrespective of the alloy compositions, and amounts up to 0.56 eV. The conduction band offset varies between −0.85 and 1.16 eV.



https://doi.org/10.1002/pssb.202000463
Visaveliya, Nikunjkumar R.; Köhler, Michael
Hierarchical assemblies of polymer particles through tailored interfaces and controllable interfacial interactions. - In: Advanced functional materials, ISSN 1616-3028, Bd. 31 (2021), 9, 2007407, insges. 22 S.

Hierarchical assembly architectures of functional polymer particles are promising because of their physicochemical and surface properties for multi-labeling and sensing to catalysis and biomedical applications. While polymer nanoparticles' interior is mainly made up of the cross-linked network, their surface can be tailored with soft, flexible, and responsive molecules and macromolecules as potential support for the controlled particulate assemblies. Molecular surfactants and polyelectrolytes as interfacial agents improve the stability of the nanoparticles whereas swellable and soft shell-like cross-linked polymeric layer at the interface can significantly enhance the uptake of guest nano-constituents during assemblies. Besides, layer-by-layer surface-functionalization holds the ability to provide a high variability in assembly architectures of different interfacial properties. Considering these aspects, various assembly architectures of polymer nanoparticles of tunable size, shapes, morphology, and tailored interfaces together with controllable interfacial interactions are constructed here. The microfluidic-mediated platform has been used for the synthesis of constituents polymer nanoparticles of various structural and interfacial properties, and their assemblies are conducted in batch or flow conditions. The assemblies presented in this progress report is divided into three main categories: cross-linked polymeric network's fusion-based self-assembly, electrostatic-driven assemblies, and assembly formed by encapsulating smaller nanoparticles into larger microparticles.



https://doi.org/10.1002/adfm.202007407
Gizatullin, Bulat; Mattea, Carlos; Stapf, Siegfried
Field-cycling NMR and DNP - a friendship with benefits. - In: Journal of magnetic resonance, ISSN 1096-0856, Bd. 322 (2021), 106851, S. 1-16

Field-cycling relaxometry, or rather its electronic version with a resistive magnet which requires signal detection at a field strength of 1 Tesla or below, remains an inherently insensitive technique due to the construction compromise that goes along with the need for a fast-switching, low-inductance magnet. For the same reasons, signal lifetime is short and frequency resolution is typically not given, at least for the predominantly used hydrogen nuclei. Dynamic Nuclear Polarization (DNP) bears the potential to circumvent these disadvantages: not only has it been demonstrated to enhance magnetization by up to three orders of magnitude beyond its thermal value, but it also provides the possibility to address particular parts of a molecule, thus generating selectivity even in the absence of spectral resolution. At the same time, DNP requires the introduction of stable radicals giving rise to additional relaxation contributions. This article presents a straightforward way to recover the native relaxation rates of the undisturbed system, and shows examples in different research fields where field-cycling relaxometry is traditionally used for refining models of molecular dynamics and interactions.



https://doi.org/10.1016/j.jmr.2020.106851
Baidiuk, Dmytro; Derkach, Volodymyr; Hassi, Seppo
Unitary boundary pairs for isometric operators in Pontryagin spaces and generalized coresolvents. - In: Complex analysis and operator theory, ISSN 1661-8262, Bd. 15 (2021), 2, 32, insges. 52 S.

https://doi.org/10.1007/s11785-020-01073-4
Hasselmann, Sebastian; Kopittke, Caroline; Götz, Maria; Witzel, Patrick; Riffel, Jacqueline; Heinrich, Doris
Tailored nanotopography of photocurable composites for control of cell migration. - In: RSC Advances, ISSN 2046-2069, Bd. 11 (2021), 8, S. 4286-4296

External mechanical stimuli represent elementary signals for living cells to adapt to their adjacent environment. These signals range from bulk material properties down to nanoscopic surface topography and trigger cell behaviour. Here, we present a novel approach to generate tailored surface roughnesses in the nanometer range to tune surface properties by particle size and volume ratio. Time-resolved local mean-squared displacement (LMSD) analysis of amoeboid cell migration reveals that nanorough surfaces alter effectively cell migration velocities and the active cell migration phases. Since the UV curable composite material is easy to fabricate and can be structured via different light based processes, it is possible to generate hierarchical 3D cell scaffolds for tissue engineering or lab-on-a-chip applications with adjustable surface roughness in the nanometre range.



https://doi.org/10.1039/D0RA06530G
Köhler, Michael; Kluitmann, Jonas
In situ assembly of gold nanoparticles in the presence of poly-DADMAC resulting in hierarchical and highly fractal nanostructures. - In: Applied Sciences, ISSN 2076-3417, Bd. 11 (2021), 3, 1191, S. 1-13

The presence of the polycationic macromolecule poly(diallyldimethylammonium chloride) (poly-DADMAC) has a strong effect on the shape and size of colloidal gold nanoparticles formed by the reduction of tetrachloroauric acid with ascorbic acid in aqueous solution. It slows down nanoparticle growth and supports the formation of nonspherical, partially highly fractal and hierarchical nanoparticle shapes. Four structural levels have been recognized from the near-spherical gold nanoparticles in the lower nanometer range over compact aggregates in the midnanometer range and flower and star-like particles in the submicron range up to larger filamentous aggregates. High-contrast scanning electron microscope (SEM) images show that single gold nanoparticles and clusters of them are connected by bundles of macromolecules in large aggregates. The investigation showed that a large spectrum of different nanoparticle shapes and sizes can be accessed by tuning the poly-DADMAC concentrations and their ratio to other reactants. The nanoassemblies with a very high specific surface area might be of interest for SERS and heterogeneous catalysis.



https://doi.org/10.3390/app11031191
Eichfelder, Gabriele; Jahn, Johannes
Optimality conditions in discrete-continuous nonlinear optimization. - In: Minimax theory and its applications, ISSN 2199-1413, Bd. 6 (2021), 1, S. 127-144

Schweser, Thomas;
Generalized hypergraph coloring. - In: Discussiones mathematicae, ISSN 2083-5892, Bd. 41 (2021), 1, S. 103-121

https://doi.org/10.7151/dmgt.2168
Berger, Thomas; Snoo, Hendrik S. V. de; Trunk, Carsten; Winkler, Henrik
Linear relations and their singular chains. - Ilmenau : Technische Universität Ilmenau, Institut für Mathematik, 2021. - 1 Online-Ressource (17 Seiten). - (Preprint ; M21,01)
https://nbn-resolving.org/urn:nbn:de:gbv:ilm1-2021200018