Search Results
Numerical analysis for nematic electrolytes
2020, Baňas, L'ubomír, Lasarzik, Robert, Prohl, Andreas
We consider a system of nonlinear PDEs modeling nematic electrolytes, and construct a dissipative solution with the help of its implementable, structure-inheriting space-time discretization. Computational studies are performed to study the mutual effects of electric, elastic, and viscous effects onto the molecules in a nematic electrolyte.
Multi-dimensional modeling and simulation of semiconductor nanophotonic devices
2019, Kantner, Markus, Höhne, Theresa, Koprucki, Thomas, Burger, Sven, Wünsche, Hans-Jürgen, Schmidt, Frank, Mielke, Alexander, Bandelow, Uwe
Self-consistent modeling and multi-dimensional simulation of semiconductor nanophotonic devices is an important tool in the development of future integrated light sources and quantum devices. Simulations can guide important technological decisions by revealing performance bottlenecks in new device concepts, contribute to their understanding and help to theoretically explore their optimization potential. The efficient implementation of multi-dimensional numerical simulations for computer-aided design tasks requires sophisticated numerical methods and modeling techniques. We review recent advances in device-scale modeling of quantum dot based single-photon sources and laser diodes by self-consistently coupling the optical Maxwell equations with semiclassical carrier transport models using semi-classical and fully quantum mechanical descriptions of the optically active region, respectively. For the simulation of realistic devices with complex, multi-dimensional geometries, we have developed a novel hp-adaptive finite element approach for the optical Maxwell equations, using mixed meshes adapted to the multi-scale properties of the photonic structures. For electrically driven devices, we introduced novel discretization and parameter-embedding techniques to solve the drift-diffusion system for strongly degenerate semiconductors at cryogenic temperature. Our methodical advances are demonstrated on various applications, including vertical-cavity surface-emitting lasers, grating couplers and single-photon sources.
A gradient-robust well-balanced scheme for the compressible isothermal Stokes problem
2019, Akbas, Mine, Gallouët, Thierry, Gaßmann, Almut, Linke, Alexander, Merdon, Christian
A novel notion for constructing a well-balanced scheme --- a gradient-robust scheme --- is introduced and a showcase application for a steady compressible, isothermal Stokes equations is presented. Gradient-robustness means that arbitrary gradient fields in the momentum balance are well-balanced by the discrete pressure gradient --- if there is enough mass in the system to compensate the force. The scheme is asymptotic-preserving in the sense that it degenerates for low Mach numbers to a recent inf-sup stable and pressure-robust discretization for the incompressible Stokes equations. The convergence of the coupled FEM-FVM scheme for the nonlinear, isothermal Stokes equations is proved by compactness arguments. Numerical examples illustrate the numerical analysis, and show that the novel approach can lead to a dramatically increased accuracy in nearly-hydrostatic low Mach number flows. Numerical examples also suggest that a straight-forward extension to barotropic situations with nonlinear equations of state is feasible.
Existence of solutions of a finite element flux-corrected-transport scheme
2020, John, Volker, Knobloch, Petr
The existence of a solution is proved for a nonlinear finite element flux-corrected-transport (FEM-FCT) scheme with arbitrary time steps for evolutionary convection-diffusion-reaction equations and transport equations.
Modeling, simulation, and optimization of geothermal energy production from hot sedimentary aquifers
2019, Blank, Laura, Meneses Rioseco, Ernesto, Wilbrandt, Ulrich, Caiazzo, Alfonso
Geothermal district heating development has been gaining momentum in Europe with numerous deep geothermal installations and projects currently under development. With the increasing density of geothermal wells, questions related to the optimal and sustainable reservoir exploitation become more and more important. A quantitative understanding of the complex thermo-hydraulic interaction between tightly deployed geothermal wells in heterogeneous temperature and permeability fields is key for a maximum sustainable use of geothermal resources. Motivated by the geological settings of the Upper Jurassic aquifer in the Greater Munich region, we develop a computational model based on finite element analysis and gradient-free optimization to simulate groundwater flow and heat transport in hot sedimentary aquifers, and investigate numerically the optimal positioning and spacing of multi-well systems. Based on our numerical simulations, net energy production from deep geothermal reservoirs in sedimentary basins by smart geothermal multi-well arrangements provides significant amounts of energy to meet heat demand in highly urbanized regions. Our results show that taking into account heterogeneous permeability structures and variable reservoir temperature may drastically affect the results in the optimal configuration. We demonstrate that the proposed numerical framework is able to efficiently handle generic geometrical and geologocal configurations, and can be thus flexibly used in the context of multi-variable optimization problems. Hence, this numerical framework can be used to assess the extractable geothermal energy from heterogeneous deep geothermal reservoirs by the optimized deployment of smart multi-well systems.
Displacement and pressure reconstruction from magnetic resonance elastography images: Application to an in silico brain model
2022, Galarce Marín, Felipe, Tabelow, Karsten, Polzehl, Jörg, Papanikas, Christos Panagiotis, Vavourakis, Vasileios, Lilaj, Ledia, Sack, Ingolf, Caiazzo, Alfonso
This paper investigates a data assimilation approach for non-invasive quantification of intracranial pressure from partial displacement data, acquired through magnetic resonance elastography. Data assimilation is based on a parametrized-background data weak methodology, in which the state of the physical system tissue displacements and pressure fields is reconstructed from partially available data assuming an underlying poroelastic biomechanics model. For this purpose, a physics-informed manifold is built by sampling the space of parameters describing the tissue model close to their physiological ranges, to simulate the corresponding poroelastic problem, and compute a reduced basis. Displacements and pressure reconstruction is sought in a reduced space after solving a minimization problem that encompasses both the structure of the reduced-order model and the available measurements. The proposed pipeline is validated using synthetic data obtained after simulating the poroelastic mechanics on a physiological brain. The numerical experiments demonstrate that the framework can exhibit accurate joint reconstructions of both displacement and pressure fields. The methodology can be formulated for an arbitrary resolution of available displacement data from pertinent images. It can also inherently handle uncertainty on the physical parameters of the mechanical model by enlarging the physics-informed manifold accordingly. Moreover, the framework can be used to characterize, in silico, biomarkers for pathological conditions, by appropriately training the reduced-order model. A first application for the estimation of ventricular pressure as an indicator of abnormal intracranial pressure is shown in this contribution.
Optimal control of a buoyancy-driven liquid steel stirring modeled with single-phase Navier--Stokes equations
2020, Wilbrandt, Ulrich, Alia, Najib, John, Volker
Gas stirring is an important process used in secondary metallurgy. It allows to homogenize the temperature and the chemical composition of the liquid steel and to remove inclusions which can be detrimental for the end-product quality. In this process, argon gas is injected from two nozzles at the bottom of the vessel and rises by buoyancy through the liquid steel thereby causing stirring, i.e., a mixing of the bath. The gas flow rates and the positions of the nozzles are two important control parameters in practice. A continuous optimization approach is pursued to find optimal values for these control variables. The effect of the gas appears as a volume force in the single-phase incompressible NavierStokes equations. Turbulence is modeled with the Smagorinsky Large Eddy Simulation (LES) model. An objective functional based on the vorticity is used to describe the mixing in the liquid bath. Optimized configurations are compared with a default one whose design is based on a setup from industrial practice.
Computational modelling and simulation of cancer growth and migration within a 3D heterogeneous tissue: The effects of fibre and vascular structure
2019, Macnamara, Cicely K., Caiazzo, Alfonso, Ramis-Conde, Ignacio, Chaplain, Mark A.J.
The term cancer covers a multitude of bodily diseases, broadly categorised by having cells which do not behave normally. Since cancer cells can arise from any type of cell in the body, cancers can grow in or around any tissue or organ making the disease highly complex. Our research is focused on understanding the specific mechanisms that occur in the tumour microenvironment via mathematical and computational modeling. We present a 3D individual-based model which allows one to simulate the behaviour of, and spatio-temporal interactions between, cells, extracellular matrix fibres and blood vessels. Each agent (a single cell, for example) is fully realised within the model and interactions are primarily governed by mechanical forces between elements. However, as well as the mechanical interactions we also consider chemical interactions, for example, by coupling the code to a finite element solver to model the diffusion of oxygen from blood vessels to cells. The current state of the art of the model allows us to simulate tumour growth around an arbitrary blood-vessel network or along the striations of fibrous tissue.
Modelling and simulation of flame cutting for steel plates with solid phases and melting
2019, Arenas Jaén, Manuel J., Hömberg, Dietmar, Lasarzik, Robert, Mikkonen, Pertti, Petzold, ThomasFlame cutting, finite element method, heat equation, phase transitions, transport equation
The goal of this work is to describe in detail a quasi-stationary state model which can be used to deeply understand the distribution of the heat in a steel plate and the changes in the solid phases of the steel and into liquid phase during the flame cutting process. We use a 3D-model similar to previous works from Thiebaud [1] and expand it to consider phases changes, in particular, austenite formation and melting of material. Experimental data is used to validate the model and study its capabilities. Parameters defining the shape of the volumetric heat source and the power density are calibrated to achieve good agreement with temperature measurements. Similarities and differences with other models from literature are discussed.