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Now showing 1 - 10 of 15
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    Distribution of Cracks in a Chain of Atoms at Low Temperature
    (Cham (ZG) : Springer International Publishing AG, 2021) Jansen, Sabine; König, Wolfgang; Schmidt, Bernd; Theil, Florian
    We consider a one-dimensional classical many-body system with interaction potential of Lennard–Jones type in the thermodynamic limit at low temperature 1/β∈(0,∞). The ground state is a periodic lattice. We show that when the density is strictly smaller than the density of the ground state lattice, the system with N particles fills space by alternating approximately crystalline domains (clusters) with empty domains (voids) due to cracked bonds. The number of domains is of the order of Nexp(−βesurf/2) with esurf>0 a surface energy. For the proof, the system is mapped to an effective model, which is a low-density lattice gas of defects. The results require conditions on the interactions between defects. We succeed in verifying these conditions for next-nearest neighbor interactions, applying recently derived uniform estimates of correlations.
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    Local Well-Posedness of Strong Solutions to the Three-Dimensional Compressible Primitive Equations
    (Berlin ; Heidelberg : Springer, 2021) Liu, Xin; Titi, Edriss S.
    This work is devoted to establishing the local-in-time well-posedness of strong solutions to the three-dimensional compressible primitive equations of atmospheric dynamics. It is shown that strong solutions exist, are unique, and depend continuously on the initial data, for a short time in two cases: with gravity but without vacuum, and with vacuum but without gravity. © 2021, The Author(s).
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    Revealing the co-action of viscous and multistability hysteresis in an adhesive, nominally flat punch: A combined numerical and experimental study
    ([Erscheinungsort nicht ermittelbar] : arXiv, 2022) Christian Müller, Manar Samri, René Hensel, Eduard Arzt, Martin H. Müser
    Viscoelasticity is well known to cause a significant hysteresis of crack closure and opening when an elastomer is brought in and out of contact with a flat, rigid counterface. In contrast, the idea that adhesive hysteresis can also result under quasi-static driving due to small-scale, elastic multistability is relatively new. Here, we study a system in which both mechanisms act concurrently. Specifically, we compare the simulated and experimentally measured time evolution of the interfacial force and the real contact area between a soft elastomer and a rigid, flat punch, to which small-scale, single-sinusoidal roughness is added. To this end, we further the Green's function molecular dynamics method and extend recently developed imaging techniques to elucidate the rate- and preload-dependence of the pull-off process. Our results reveal that hysteresis is much enhanced when the saddle points of the topography come into contact, which, however, is impeded by viscoelastic forces and may require sufficiently large preloads. A similar coaction of viscous- and multistability effects is expected to occur in macroscopic polymer contacts and be relevant, e.g., for pressure-sensitive adhesives and modern adhesive gripping devices.
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    Understanding the transgression of global and regional freshwater planetary boundaries
    (London : Royal Society, 2022) Pastor, A.V.; Biemans, H.; Franssen, W.; Gerten, D.; Hoff, H.; Ludwig, F.; Kabat, P.
    Freshwater ecosystems have been degraded due to intensive freshwater abstraction. Therefore, environmental flow requirements (EFRs) methods have been proposed to maintain healthy rivers and/or restore river flows. In this study, we used the Variable Monthly Flow (VMF) method to calculate the transgression of freshwater planetary boundaries: (1) natural deficits in which flow does not meet EFRs due to climate variability, and (2) anthropogenic deficits caused by water abstractions. The novelty is that we calculated spatially and cumulative monthly water deficits by river types including the frequency, magnitude and causes of environmental flow (EF) deficits (climatic and/or anthropogenic). Water deficit was found to be a regional rather than a global concern (less than 5% of total discharge). The results show that, from 1960 to 2000, perennial rivers with low flow alteration, such as the Amazon, had an EF deficit of 2–12% of the total discharge, and that the climate deficit was responsible for up to 75% of the total deficit. In rivers with high seasonality and high water abstractions such as the Indus, the total deficit represents up to 130% of its total discharge, 85% of which is due to withdrawals. We highlight the need to allocate water to humans and ecosystems sustainably. This article is part of the Royal Society Science+ meeting issue ‘Drought risk in the Anthropocene’.
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    Symmetries in transmission electron microscopy imaging of crystals with strain
    (London : [Verlag nicht ermittelbar], 2022) Koprucki, Thomas; Maltsi, Anieza; Mielke, Alexander
    Transmission electron microscopy (TEM) images of strained crystals often exhibit symmetries, the source of which is not always clear. To understand these symmetries, we distinguish between symmetries that occur from the imaging process itself and symmetries of the inclusion that might affect the image. For the imaging process, we prove mathematically that the intensities are invariant under specific transformations. A combination of these invariances with specific properties of the strain profile can then explain symmetries observed in TEM images. We demonstrate our approach to the study of symmetries in TEM images using selected examples in the field of semiconductor nanostructures such as quantum wells and quantum dots.
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    Surface Energy and Boundary Layers for a Chain of Atoms at Low Temperature
    (Berlin ; Heidelberg : Springer, 2021) Jansen, Sabine; König, Wolfgang; Schmidt, Bernd; Theil, Florian
    We analyze the surface energy and boundary layers for a chain of atoms at low temperature for an interaction potential of Lennard–Jones type. The pressure (stress) is assumed to be small but positive and bounded away from zero, while the temperature β- 1 goes to zero. Our main results are: (1) As β→ ∞ at fixed positive pressure p> 0 , the Gibbs measures μβ and νβ for infinite chains and semi-infinite chains satisfy path large deviations principles. The rate functions are bulk and surface energy functionals E¯ bulk and E¯ surf. The minimizer of the surface functional corresponds to zero temperature boundary layers; (2) The surface correction to the Gibbs free energy converges to the zero temperature surface energy, characterized with the help of the minimum of E¯ surf; (3) The bulk Gibbs measure and Gibbs free energy can be approximated by their Gaussian counterparts; (4) Bounds on the decay of correlations are provided, some of them uniform in β. © 2020, The Author(s).
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    Topology- and Geometry-Controlled Functionalization of Nanostructured Metamaterials
    (Basel : MDPI, 2023) Fomin, Vladimir M.; Marquardt, Oliver
    [no abstract available]
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    Thermoviscoelasticity in Kelvin–Voigt Rheology at Large Strains
    (Berlin ; Heidelberg : Springer, 2020) Mielke, Alexander; Roubíček, Tomáš
    The frame-indifferent thermodynamically-consistent model of thermoviscoelasticity at large strain is formulated in the reference configuration by using the concept of the second-grade nonsimple materials. We focus on physically correct viscous stresses that are frame indifferent under time-dependent rotations. Also elastic stresses are frame indifferent under rotations and respect positivity of the determinant of the deformation gradient. The heat transfer is governed by the Fourier law in the actual deformed configuration, which leads to a nontrivial description when pulled back to the reference configuration. The existence of weak solutions in the quasistatic setting, that is inertial forces are ignored, is shown by time discretization. © 2020, The Author(s).
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    Ice-Crystal Nucleation in Water: Thermodynamic Driving Force and Surface Tension. Part I: Theoretical Foundation
    (Basel : MDPI, 2020) Hellmuth, Olaf; Schmelzer, Jürn W.P.; Feistel, Rainer
    A recently developed thermodynamic theory for the determination of the driving force of crystallization and the crystal–melt surface tension is applied to the ice-water system employing the new Thermodynamic Equation of Seawater TEOS-10. The deviations of approximative formulations of the driving force and the surface tension from the exact reference properties are quantified, showing that the proposed simplifications are applicable for low to moderate undercooling and pressure differences to the respective equilibrium state of water. The TEOS-10-based predictions of the ice crystallization rate revealed pressure-induced deceleration of ice nucleation with an increasing pressure, and acceleration of ice nucleation by pressure decrease. This result is in, at least, qualitative agreement with laboratory experiments and computer simulations. Both the temperature and pressure dependencies of the ice-water surface tension were found to be in line with the le Chatelier–Braun principle, in that the surface tension decreases upon increasing degree of metastability of water (by decreasing temperature and pressure), which favors nucleation to move the system back to a stable state. The reason for this behavior is discussed. Finally, the Kauzmann temperature of the ice-water system was found to amount TK=116K , which is far below the temperature of homogeneous freezing. The Kauzmann pressure was found to amount to pK=−212MPa , suggesting favor of homogeneous freezing on exerting a negative pressure on the liquid. In terms of thermodynamic properties entering the theory, the reason for the negative Kauzmann pressure is the higher mass density of water in comparison to ice at the melting point.
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    Couplings via Comparison Principle and Exponential Ergodicity of SPDEs in the Hypoelliptic Setting
    (Berlin ; Heidelberg : Springer, 2020) Butkovsky, Oleg; Scheutzow, Michael
    We develop a general framework for studying ergodicity of order-preserving Markov semigroups. We establish natural and in a certain sense optimal conditions for existence and uniqueness of the invariant measure and exponential convergence of transition probabilities of an order-preserving Markov process. As an application, we show exponential ergodicity and exponentially fast synchronization-by-noise of the stochastic reaction–diffusion equation in the hypoelliptic setting. This refines and complements corresponding results of Hairer and Mattingly (Electron J Probab 16:658–738, 2011). © 2020, The Author(s).