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Maronga, Björn ; Groß, Günter ; Raasch, Siegfried ; Banzhaf, Sabine ; Forkel, Renate ; Heldens, Wieke ; Kanani-Sühring, Farah ; Matzarakis, Andreas ; Mauder, Matthias ; Pavlik, Dirk ; Pfafferott, Jens ; Schubert, Sebastian ; Seckmeyer, Gunther ; Sieker, Heiko ; Trusilova, Kristina
In this article we outline the model development planned within the joint projectModel-based city planningand application in climate change (MOSAIK). The MOSAIK project is funded by the German FederalMinistry of Education and Research (BMBF) within the frameworkUrban Climate Under Change ([UC]2)since 2016. The aim of MOSAIK is to develop a highly-efficient, modern, and high-resolution urban climatemodel that allows to be applied for building-resolving simulations of large cities such as Berlin (Germany).The new urban climate model will be based on the well-established large-eddy simulation code PALM, whichalready has numerous features related to this goal, such as an option for prescribing Cartesian obstacles. Inthis article we will outline those components that will be added or modified in the framework of MOSAIK.Moreover, we will discuss the everlasting issue of acquisition of suitable geographical information as inputdata and the underlying requirements from the model's perspective.
Mayer, Andreas ; Mayer, Elena ; Mayer, Markus ; Ruile, Werner ; Chauhan, Vikrant ; Forster, Thomas ; Wagner, Karl C.
In the framework of electro-elasticity theory and the finite element method (FEM), a model is set up for the computation of quantities in surface acoustic wave (SAW) devices accounting for nonlinear effects. These include second-order and third-order intermodulations, second and third harmonic generation and the influence of electro-acoustic nonlinearity on the frequency characteristics of SAW resonators. The model is based on perturbation theory, and requires input material constants, e.g., the elastic moduli up to fourth order for all materials involved. The model is two-dimensional, corresponding to an infinite aperture, but all three Cartesian components of the displacement and electrical fields are accounted for. The first version of the model pertains to an infinite periodic arrangement of electrodes. It is subsequently generalized to systems with a finite number of electrodes. For the latter version, a recursive algorithm is presented which is related to the cascading scheme of Plessky and Koskela and strongly reduces computation time and memory requirements. The model is applied to TC-SAW systems with copper electrodes buried in an oxide film on a LiNbO3 substrate. Results of computations are presented for the electrical current due to third-order intermodulations and the displacement field associated with the second harmonic and second-order intermodulations, generated by monochromatic input tones. The scope of this review is limited to methodological aspects with the goal to enable calculations of nonlinear quantities in SAW devices on inexpensive and easily accessible computing platforms.
Laser pulses focused near the tip of an elastic wedge generate acoustic waves guided at its apex. The shapes of the acoustic wedge wave pulses depend on the energy and the profile of the exciting laser pulse and on the anisotropy of the elastic medium the wedge is made of. Expressions for the acoustic pulse shapes have been derived in terms of the modal displacement fields of wedge waves for laser excitation in the thermo-elastic regime and for excitation via a pressure pulse exerted on the surface. The physical quantity considered is the local inclination of a surface of the wedge, which is measured optically by laser-probe-beam deflection. Experimental results on pulse shapes in the thermo-elastic regime are presented and confirmed by numerical calculations. They pertain to an isotropic sharp-angle wedge with two wedge-wave branches and to a non-reciprocity phenomenon at rectangular silicon edges.
The existence of acoustic waves with displacements localized at the tip of an isotropic elastic wedge was rigorously proven by Kamotskii, Zavorokhin and Nazarov. This proof, which is based on a variational approach, is extended to rectangular anisotropic wedges. For two high-symmetry configurations of rectangular edges in elastic media with tetragonal symmetry, a criterion is derived that allows identifying the boundary between the regions of existence for wedge modes of even and odd symmetry in regions of parameter space, where even- and odd-symmetry modes do not exist simultaneously. Furthermore, rectangular edges with non-equivalent surfaces are analyzed, and it is shown that at rectangular edges of cubic elastic media with one (110) surface and one (001) surface, a tip-localized guided wave always exists, apart from special cases that are characterized.
Mayer, Elena ; Rogall, Olga ; Ding, Anli ; Nair, Akash ; Žukauskaitė, Agnė ; Pupyrev, Pavel Dmitrievich ; Lomonosov, Alexey M. ; Mayer, Andreas
The laser ultrasound (LU) technique has been used to determine dispersion curves for surface acoustic waves (SAW) propagating in AlScN/Al2O3 systems. Polar and non-polar Al0.77Sc0.23N thin films were prepared by magnetron sputter epitaxy on Al2O3 substrates and coated with a metal layer. SAW dispersion curves have been measured for various propagation directions on the surface. This is easily achieved in LU measurements since no additional surface structures need to be fabricated, which would be required if elastic properties are determined with the help of SAW resonators. Variation of the propagation direction allows for efficient use of the system’s anisotropy when extracting information on elastic properties. This helps to overcome the complexity caused by a large number of elastic constants in the film material. An analysis of the sensitivity of the SAW phase velocities (with respect to the elastic moduli and their dependence on SAW propagation direction) reveals that the non-polar AlScN films are particularly well suited for the extraction of elastic film properties. Good agreement is found between experiment and theoretical predictions, validating LU as a non-destructive and fast technique for the determination of elastic constants of piezoelectric thin films.
In this study the dynamics and stability of thin and electrically conductive aqueous films under the influence of a time-periodic electric field are explored. With the help of analytical linear stability analysis for long wavelength disturbances, the stability threshold of the system as a function of various electrochemical parameters and transport coefficients is presented. The contributions of parameters like surface tension, disjoining pressure, electric double layer (Debye length and interfacial zeta potential), and unsteady Maxwell and viscous stresses are highlighted with the help of appropriate dimensionless groups. The physical mechanisms affecting the stability of thin films are detailed with the above-mentioned forces and parametric dependence of stability trends is discussed.
One of the practical bottlenecks associated with commercialization of lithium-air cells is the choice of an appropriate electrolyte that provides the required combination of cell performance, cyclability and safety. With the help of a two-dimensional multiphysics model, we attempt to narrow down the electrolyte choice by providing insights into the effect of the transport properties of electrolyte, electrode saturation (flooded versus gas diffusion), and electrode thickness on a single discharge performance of a lithium-air button cell cathode for five different electrolytes including water, ionic liquid, carbonate, ether, and sulfoxide. The 2D distribution of local current density and concentrations of electrochemically active species (O2 and Li+) in the cathode is also discussed w.r.t electrode saturation. Furthermore, the efficacy of species transport in the cathode is quantified by introducing two parameters, firstly, a transport efficiency that gives local insight into the distribution of mass transfer losses, and secondly, an active electrode volume that gives global insight into the cathode volume utilization at different current densities. A detailed discussion is presented toward understanding the design-induced performance limitations in a Li-air button cell prototype.
Modeling and simulation play a key role in analyzing the complex electrochemical behavior of lithium-ion batteries. We present the development of a thermodynamic and kinetic modeling framework for intercalation electrochemistry within the open-source software Cantera. Instead of using equilibrium potentials and single-step Butler-Volmer kinetics, Cantera is based on molar thermodynamic data and mass-action kinetics, providing a physically-based and flexible means for complex reaction pathways. Herein, we introduce a new thermodynamic class for intercalation materials into the open-source software. We discuss the derivation of molar thermodynamic data from experimental half-cell potentials, and provide practical guidelines. We then demonstrate the new class using a single-particle model of a lithium cobalt oxide/graphite lithium-ion cell, implemented in MATLAB. With the present extensions, Cantera provides a platform for the lithium-ion battery modeling community both for consistent thermodynamic and kinetic models and for exchanging the required thermodynamic and kinetic parameters. We provide the full MATLAB code and parameter files as supplementary material to this article.
One of the bottlenecks hindering the usage of polymer electrolyte membrane fuel cell technology in automotive applications is the highly load-sensitive degradation of the cell components. The cell failure cases reported in the literature show localized cell component degradation, mainly caused by flow-field dependent non-uniform distribution of reactants. The existing methodologies for diagnostics of localized cell failure are either invasive or require sophisticated and expensive apparatus. In this study, with the help of a multiscale simulation framework, a single polymer electrolyte membrane fuel cell (PEMFC) model is exposed to a standardized drive cycle provided by a system model of a fuel cell car. A 2D multiphysics model of the PEMFC is used to investigate catalyst degradation due to spatio-temporal variations in the fuel cell state variables under the highly transient load cycles. A three-step (extraction, oxidation, and dissolution) model of platinum loss in the cathode catalyst layer is used to investigate the cell performance degradation due to the consequent reduction in the electro-chemical active surface area (ECSA). By using a time-upscaling methodology, we present a comparative prediction of cell end-of-life (EOL) under different driving behavior of New European Driving Cycle (NEDC) and Worldwide Harmonized Light Vehicles Test Cycle (WLTC).
The durability of polymer electrolyte membrane fuel cells (PEMFC) is governed by a nonlinear coupling between system demand, component behavior, and physicochemical degradation mechanisms, occurring on timescales from the sub-second to the thousand-hour. We present a simulation methodology for assessing performance and durability of a PEMFC under automotive driving cycles. The simulation framework consists of (a) a fuel cell car model converting velocity to cell power demand, (b) a 2D multiphysics cell model, (c) a flexible degradation library template that can accommodate physically-based component-wise degradation mechanisms, and (d) a time-upscaling methodology for extrapolating degradation during a representative load cycle to multiple cycles. The computational framework describes three different time scales, (1) sub-second timescale of electrochemistry, (2) minute-timescale of driving cycles, and (3) thousand-hour-timescale of cell ageing. We demonstrate an exemplary PEMFC durability analysis due to membrane degradation under a highly transient loading of the New European Driving Cycle (NEDC).