@misc{MokhtariPattersonHoefling2021, author = {Mokhtari, Zahra and Patterson, Robert I. A. and H{\"o}fling, Felix}, title = {Spontaneous trail formation in populations of auto-chemotactic walkers}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-84466}, year = {2021}, abstract = {We study the formation of trails in populations of self-propelled agents that make oriented deposits of pheromones and also sense such deposits to which they then respond with gradual changes of their direction of motion. Based on extensive off-lattice computer simulations aiming at the scale of insects, e.g., ants, we identify a number of emerging stationary patterns and obtain qualitatively the non-equilibrium \add{state} diagram of the model, spanned by the strength of the agent--pheromone interaction and the number density of the population. In particular, we demonstrate the spontaneous formation of persistent, macroscopic trails, and highlight some behaviour that is consistent with a dynamic phase transition. This includes a characterisation of the mass of system-spanning trails as a potential order parameter. We also propose a dynamic model for a few macroscopic observables, including the sub-population size of trail-following agents, which captures the early phase of trail formation.}, language = {en} } @article{PathaniaChakrabortyHoefling2021, author = {Pathania, Yogyata and Chakraborty, Dipanjan and H{\"o}fling, Felix}, title = {Continuous demixing transition of binary liquids: finite-size scaling from the analysis of sub-systems}, volume = {4}, journal = {Advances Theory and Simulation}, doi = {10.1002/adts.202000235}, pages = {2000235}, year = {2021}, language = {en} } @article{FroembergHoefling2021, author = {Fr{\"o}mberg, Daniela and H{\"o}fling, Felix}, title = {Generalized master equation for first-passage problems in partitioned spaces}, volume = {54}, journal = {Journal of Physics A: Mathematical and Theoretical}, doi = {10.1088/1751-8121/abf2ec}, pages = {215601}, year = {2021}, language = {en} } @article{KleinEbrahimiViandHoeflingetal.2021, author = {Klein, Rupert and Ebrahimi Viand, Roya and H{\"o}fling, Felix and Delle Site, Luigi}, title = {Nonequilibrium induced by reservoirs: Physico-mathematical model and numerical tests}, volume = {4}, journal = {Advances Theory and Simulation}, doi = {10.1002/adts.202100071}, pages = {2100071}, year = {2021}, language = {en} } @article{GholamiHoeflingKleinetal.2021, author = {Gholami, Abbas and H{\"o}fling, Felix and Klein, Rupert and Delle Site, Luigi}, title = {Thermodynamic relations at the coupling boundary in adaptive resolution simulations for open systems}, volume = {4}, journal = {Advances Theory and Simulation}, doi = {10.1002/adts.202000303}, pages = {2000303}, year = {2021}, language = {en} } @article{StraubeWinkelmannSchuetteetal.2021, author = {Straube, Arthur and Winkelmann, Stefanie and Sch{\"u}tte, Christof and H{\"o}fling, Felix}, title = {Stochastic pH oscillations in a model of the urea-urease reaction confined to lipid vesicles}, volume = {12}, journal = {J. Phys. Chem. Lett.}, doi = {10.1021/acs.jpclett.1c03016}, pages = {9888 -- 9893}, year = {2021}, abstract = {The urea-urease clock reaction is a pH switch from acid to basic that can turn into a pH oscillator if it occurs inside a suitable open reactor. We numerically study the confinement of the reaction to lipid vesicles, which permit the exchange with an external reservoir by differential transport, enabling the recovery of the pH level and yielding a constant supply of urea molecules. For microscopically small vesicles, the discreteness of the number of molecules requires a stochastic treatment of the reaction dynamics. Our analysis shows that intrinsic noise induces a significant statistical variation of the oscillation period, which increases as the vesicles become smaller. The mean period, however, is found to be remarkably robust for vesicle sizes down to approximately 200 nm, but the periodicity of the rhythm is gradually destroyed for smaller vesicles. The observed oscillations are explained as a canard-like limit cycle that differs from the wide class of conventional feedback oscillators.}, language = {en} }