Adaptive mesh refinement (AMR) criteria comparison for the DrivAer model.

Aerodynamics is one of the main areas of development in vehicle design. One of the most efficient ways of testing the aerodynamic design of a vehicle is to use Computational Fluid Dynamics (CFD), which allows for faster and more accurate aerodynamic simulations, which in turn helps increase the fuel economy and electric vehicle's range. Resource optimization is one of the most important aspects of CFD, and one of its main aspects is the spatial discretization of the fluid domain. This study discusses the use of Adaptive Mesh Refinement (AMR) for the aerodynamic design of private vehicles. This paper compares the results obtained with the use of AMR based on different fluid dynamic criteria for the DrivAer model and correlates the results with experimental data and computational results provided by various authors in previous publications. Four different optimization functions are defined and compared. The results for the drag coefficient, pressure coefficient, and total pressure wake have been correlated, showing great accuracy. This study has proven that the use of AMR highly optimizes computational resources by optimizing the mesh in the desired areas, thereby reducing the number of cells needed elsewhere. The use of these criteria has proven useful for drag coefficient prediction simulations because these criteria make use of the AMR to optimize the wake region.

An adaptive h-refinement method for the boundary element fast multipole method for quasi-static electromagnetic modeling.

Objective.In our recent work pertinent to modeling of brain stimulation and neurophysiological recordings, substantial modeling errors in the computed electric field and potential have sometimes been observed for standard multi-compartment head models. The goal of this study is to quantify those errors and, further, eliminate them through an adaptive mesh refinement (AMR) algorithm. The study concentrates on transcranial magnetic stimulation (TMS), transcranial electrical stimulation (TES), and electroencephalography (EEG) forward problems.Approach.We propose, describe, and systematically investigate an AMR method using the boundary element method with fast multipole acceleration (BEM-FMM) as the base numerical solver. The goal is to efficiently allocate additional unknowns to critical areas of the model, where they will best improve solution accuracy. The implemented AMR method's accuracy improvement is measured on head models constructed from 16 Human Connectome Project subjects under problem classes of TES, TMS, and EEG. Errors are computed between three solutions: an initial non-adaptive solution, a solution found after applying AMR with a conservative refinement rate, and a 'silver-standard' solution found by subsequent 4:1 global refinement of the adaptively-refined model.Main results.Excellent agreement is shown between the adaptively-refined and silver-standard solutions for standard head models. AMR is found to be vital for accurate modeling of TES and EEG forward problems for standard models: an increase of less than 25% (on average) in number of mesh elements for these problems, efficiently allocated by AMR, exposes electric field/potential errors exceeding 60% (on average) in the solution for the unrefined models.Significance.This error has especially important implications for TES dosing prediction-where the stimulation strength plays a central role-and for EEG lead fields. Though the specific form of the AMR method described here is implemented for the BEM-FMM, we expect that AMR is applicable and even required for accurate electromagnetic simulations by other numerical modeling packages as well.

An Adaptive H-Refinement Method for the Boundary Element Fast Multipole Method for Quasi-static Electromagnetic Modeling.

Objective: In our recent work pertinent to modeling of brain stimulation and neurophysiological recordings, substantial modeling errors in the computed electric field and potential have sometimes been observed for standard multi-compartment head models. The goal of this study is to quantify those errors and, further, eliminate them through an adaptive mesh refinement (AMR) algorithm. The study concentrates on transcranial magnetic stimulation (TMS), transcranial electrical stimulation (TES), and electroencephalography (EEG) forward problems. Approach: We propose, describe, and systematically investigate an AMR method using the Boundary Element Method with Fast Multipole Acceleration (BEM-FMM) as the base numerical solver. The goal is to efficiently allocate additional unknowns to critical areas of the model, where they will best improve solution accuracy.The implemented AMR method's accuracy improvement is measured on head models constructed from 16 Human Connectome Project subjects under problem classes of TES, TMS, and EEG. Errors are computed between three solutions: an initial non-adaptive solution, a solution found after applying AMR with a conservative refinement rate, and a "silver-standard" solution found by subsequent 4:1 global refinement of the adaptively-refined model. Main Results: Excellent agreement is shown between the adaptively-refined and silver-standard solutions for standard head models. AMR is found to be vital for accurate modeling of TES and EEG forward problems for standard models: an increase of less than 25% (on average) in number of mesh elements for these problems, efficiently allocated by AMR, exposes electric field/potential errors exceeding 60% (on average) in the solution for the unrefined models. Significance: This error has especially important implications for TES dosing prediction - where the stimulation strength plays a central role - and for EEG lead fields. Though the specific form of the AMR method described here is implemented for the BEM-FMM, we expect that AMR is applicable and even required for accurate electromagnetic simulations by other numerical modeling packages as well.

Enhanced 4D Flow MRI-Based CFD with Adaptive Mesh Refinement for Flow Dynamics Assessment in Coarctation of the Aorta.

4D Flow MRI is a diagnostic tool that can visualize and quantify patient-specific hemodynamics and help interventionalists optimize treatment strategies for repairing coarctation of the aorta (COA). Despite recent developments in 4D Flow MRI, shortcomings include phase-offset errors, limited spatiotemporal resolution, aliasing, inaccuracies due to slow aneurysmal flows, and distortion of images due to metallic artifact from vascular stents. To address these limitations, we developed a framework utilizing Computational Fluid Dynamics (CFD) with Adaptive Mesh Refinement (AMR) that enhances 4D Flow MRI visualization/quantification. We applied this framework to five pediatric patients with COA, providing in-vivo and in-silico datasets, pre- and post-intervention. These two data sets were compared and showed that CFD flow rates were within 9.6% of 4D Flow MRI, which is within a clinically acceptable range. CFD simulated slow aneurysmal flow, which MRI failed to capture due to high relative velocity encoding (Venc). CFD successfully predicted in-stent blood flow, which was not visible in the in-vivo data due to susceptibility artifact. AMR improved spatial resolution by factors of 101 to 103 and temporal resolution four-fold. This computational framework has strong potential to optimize visualization/quantification of aneurysmal and in-stent flows, improve spatiotemporal resolution, and assess hemodynamic efficiency post-COA treatment.

Dynamic mode decomposition in adaptive mesh refinement and coarsening simulations.

Dynamic mode decomposition (DMD) is a powerful data-driven method used to extract spatio-temporal coherent structures that dictate a given dynamical system. The method consists of stacking collected temporal snapshots into a matrix and mapping the nonlinear dynamics using a linear operator. The classical procedure considers that snapshots possess the same dimensionality for all the observable data. However, this often does not occur in numerical simulations with adaptive mesh refinement/coarsening schemes (AMR/C). This paper proposes a strategy to enable DMD to extract features from observations with different mesh topologies and dimensions, such as those found in AMR/C simulations. For this purpose, the adaptive snapshots are projected onto the same reference function space, enabling the use of snapshot-based methods such as DMD. The present strategy is applied to challenging AMR/C simulations: a continuous diffusion-reaction epidemiological model for COVID-19, a density-driven gravity current simulation, and a bubble rising problem. We also evaluate the DMD efficiency to reconstruct the dynamics and some relevant quantities of interest. In particular, for the SEIRD model and the bubble rising problem, we evaluate DMD's ability to extrapolate in time (short-time future estimates).

Efficient mesh refinement for the Poisson-Boltzmann equation with boundary elements.

The Poisson-Boltzmann equation is a widely used model to study electrostatics in molecular solvation. Its numerical solution using a boundary integral formulation requires a mesh on the molecular surface only, yielding accurate representations of the solute, which is usually a complicated geometry. Here, we utilize adjoint-based analyses to form two goal-oriented error estimates that allow us to determine the contribution of each discretization element (panel) to the numerical error in the solvation free energy. This information is useful to identify high-error panels to then refine them adaptively to find optimal surface meshes. We present results for spheres and real molecular geometries, and see that elements with large error tend to be in regions where there is a high electrostatic potential. We also find that even though both estimates predict different total errors, they have similar performance as part of an adaptive mesh refinement scheme. Our test cases suggest that the adaptive mesh refinement scheme is very effective, as we are able to reduce the error one order of magnitude by increasing the mesh size less than 20% and come out to be more efficient than uniform refinement when computing error estimations. This result sets the basis toward efficient automatic mesh refinement schemes that produce optimal meshes for solvation energy calculations.

Adaptive mesh refinement and coarsening for diffusion-reaction epidemiological models.

The outbreak of COVID-19 in 2020 has led to a surge in the interest in the mathematical modeling of infectious diseases. Disease transmission may be modeled as compartmental models, in which the population under study is divided into compartments and has assumptions about the nature and time rate of transfer from one compartment to another. Usually, they are composed of a system of ordinary differential equations in time. A class of such models considers the Susceptible, Exposed, Infected, Recovered, and Deceased populations, the SEIRD model. However, these models do not always account for the movement of individuals from one region to another. In this work, we extend the formulation of SEIRD compartmental models to diffusion-reaction systems of partial differential equations to capture the continuous spatio-temporal dynamics of COVID-19. Since the virus spread is not only through diffusion, we introduce a source term to the equation system, representing exposed people who return from travel. We also add the possibility of anisotropic non-homogeneous diffusion. We implement the whole model in libMesh, an open finite element library that provides a framework for multiphysics, considering adaptive mesh refinement and coarsening. Therefore, the model can represent several spatial scales, adapting the resolution to the disease dynamics. We verify our model with standard SEIRD models and show several examples highlighting the present model's new capabilities.

Softness-based adaptive mesh refinement algorithm for soft tissue deformation.

Soft tissue and organ modeling is the most critical function of any virtual surgical system. This study proposes a softness-based adaptive mesh refinement algorithm to simultaneously ensure realistic and real-time soft tissue simulation. The algorithm was constructed to consider that in a virtual surgery scenario, the surgical sites involve large deformation and thus require high simulation precision, whereas the nonsurgical sites involve small deformations and thus require low simulation precision. This study used the stomach lining as an example, applying mesh refinement in the deformation sites of the stomach lining to enhance the accuracy of the simulations. In addition, low mesh models were adopted for nonsurgical sites to ensure computing efficiency.

Accuracy Quantification of the Reverse Engineering and High-Order Finite Element Analysis of Equine MC3 Forelimb.

Shape is a key factor in influencing mechanical responses of bones. Considered to be smart viscoelastic and inhomogeneous materials, bones are stimulated to change shape (model and remodel) when they experience changes in the compressive strain distribution. Using reverse engineering techniques via computer-aided design (CAD) is crucial to create a virtual environment to investigate the significance of shape in biomechanical engineering. Nonetheless, data are lacking to quantify the accuracy of generated models and to address errors in finite element analysis (FEA). In the present study, reverse engineering through extrapolating cross-sectional slices was used to reconstruct the diaphysis of 15 equine third metacarpal bones (MC3). The reconstructed geometry was aligned with, and compared against, computed tomography-based models (reference models) of these bones and then the error map of the generated surfaces was plotted. The minimum error of reconstructed geometry was found to be +0.135 mm and -0.185 mm (0.407 mm ± 0.235, P > .05 and -0.563 mm ± 0.369, P > .05 for outside [convex] and inside [concave] surface position, respectively). Minor reconstructed surface error was observed on the dorsal cortex (0.216 mm ± 0.07, P > .05) for the outside surface and -0.185 mm ± 0.13, P > .05 for the inside surface. In addition, a displacement-based error estimation was used on 10 MC3 to identify poorly shaped elements in FEA, and the relations of finite element convergence analysis were used to present a framework for minimizing stress and strain errors in FEA. Finite element analysis errors of 3%-5% provided in the literature are unfortunate. Our proposed model, which presents an accurate FEA (error of 0.12%) in the smallest number of iterations possible, will assist future investigators to maximize FEA accuracy without the current runtime penalty.

OpenIFEM: A High Performance Modular Open-Source Software of the Immersed Finite Element Method for Fluid-Structure Interactions.

We present a high performance modularly-built open-source software - OpenIFEM. OpenIFEM is a C++ implementation of the modified immersed finite element method (mIFEM) to solve fluid-structure interaction (FSI) problems. This software is modularly built to perform multiple tasks including fluid dynamics (incompressible and slightly compressible fluid models), linear and nonlinear solid mechanics, and fully coupled fluid-structure interactions. Most of open-source software packages are restricted to certain discretization methods; some are under-tested, under-documented, and lack modularity as well as extensibility. OpenIFEM is designed and built to include a set of generic classes for users to adapt so that any fluid and solid solvers can be coupled through the FSI algorithm. In addition, the package utilizes well-developed and tested libraries. It also comes with standard test cases that serve as software and algorithm validation. The software can be built on cross-platform, i.e., Linux, Windows, and Mac OS, using CMake. Efficient parallelization is also implemented for high-performance computing for large-sized problems. OpenIFEM is documented using Doxygen and publicly available to download on GitHub. It is expected to benefit the future development of FSI algorithms and be applied to a variety of FSI applications.

An a posteriori Error Estimate for Scanning Electron Microscope Simulation with Adaptive Mesh Refinement.

The intensity variation in a scanning electron microscope is a complex function of sample topography and composition. Measurement accuracy is improved when an explicit accounting for the relationship between signal and measurand is made. Because the determinants of the signal are many, the theoretical understanding usually takes the form of a simulator. For samples with nonconducting regions that charge, one phase of the simulation is finite element analysis to compute the electric field. The size of the finite element mesh, and consequently computation time, can be reduced through the use of adaptive mesh refinement. We present a new a posteriori local error estimator and adaptive mesh refinement algorithm for the scanning electron microscope simulation. This error estimate is designed to minimize the error in the electron trajectories, rather than the energy norm of the error that traditional error estimators minimize. Using a test problem with a known exact solution, we show that the adaptive mesh can achieve the same error in electron trajectories as a carefully designed hand-graded mesh while using 3.5 times fewer vertices and 2.25 times less computation time.

Simulation of Multispecies Desmoplastic Cancer Growth via a Fully Adaptive Non-linear Full Multigrid Algorithm.

A fully adaptive non-linear full multigrid (FMG) algorithm is implemented to computationally simulate a model of multispecies desmoplastic tumor growth in three spatial dimensions. The algorithm solves a thermodynamic mixture model employing a diffuse interface approach with Cahn-Hilliard-type fourth-order equations that are coupled, non-linear, and numerically stiff. The tumor model includes extracellular matrix (ECM) as a major component with elastic energy contribution in its chemical potential term. Blood and lymphatic vasculatures are simulated via continuum representations. The model employs advection-reaction-diffusion partial differential equations (PDEs) for the cell, ECM, and vascular components, and reaction-diffusion PDEs for the elements diffusing from the vessels. This study provides the details of the numerical solution obtained by applying the fully adaptive non-linear FMG algorithm with finite difference method to solve this complex system of PDEs. The results indicate that this type of computational model can simulate the extracellular matrix-rich desmoplastic tumor microenvironment typical of fibrotic tumors, such as pancreatic adenocarcinoma.

Adaptive mesh refinement for elastic modulus reconstruction in elastography.

Meshes play a crucial role in determining the accuracy of the elastic modulus reconstruction in the elastography when the finite element method is employed. In this article, we propose an adaptive mesh refinement strategy which can ensure the coincidence of the meshes with the shape of the inclusions in the observed tissue. This strategy is based on the intensity distribution of the strain image where the variance of the strain distribution in each element of the meshes is used to measure the homogeneity of the element, that is, the larger the strain variance is the more inhomogeneous the element will be and hence more detailed information will be included in this element. For more accurate reconstruction of such detailed information, mesh refinement procedure is implemented in such elements. Besides, two refinement steps are employed for the reconstruction to improve the fitness of the reconstructed image and the observed tissue. Simulation results show that the two-stage adaptive mesh refinement algorithm performs well without needing any prior information about the internal geometric shape in tissue. Not only Young's moduli of models but also shapes of the inclusions can be reconstructed perfectly and quickly with our proposed method.

Towards Adaptive Grids for Atmospheric Boundary-Layer Simulations.

We present a proof-of-concept for the adaptive mesh refinement method applied to atmospheric boundary-layer simulations. Such a method may form an attractive alternative to static grids for studies on atmospheric flows that have a high degree of scale separation in space and/or time. Examples include the diurnal cycle and a convective boundary layer capped by a strong inversion. For such cases, large-eddy simulations using regular grids often have to rely on a subgrid-scale closure for the most challenging regions in the spatial and/or temporal domain. Here we analyze a flow configuration that describes the growth and subsequent decay of a convective boundary layer using direct numerical simulation (DNS). We validate the obtained results and benchmark the performance of the adaptive solver against two runs using fixed regular grids. It appears that the adaptive-mesh algorithm is able to coarsen and refine the grid dynamically whilst maintaining an accurate solution. In particular, during the initial growth of the convective boundary layer a high resolution is required compared to the subsequent stage of decaying turbulence. More specifically, the number of grid cells varies by two orders of magnitude over the course of the simulation. For this specific DNS case, the adaptive solver was not yet more efficient than the more traditional solver that is dedicated to these types of flows. However, the overall analysis shows that the method has a clear potential for numerical investigations of the most challenging atmospheric cases.

Performance evaluation of GPU parallelization, space-time adaptive algorithms, and their combination for simulating cardiac electrophysiology.

The use of computer models as a tool for the study and understanding of the complex phenomena of cardiac electrophysiology has attained increased importance nowadays. At the same time, the increased complexity of the biophysical processes translates into complex computational and mathematical models. To speed up cardiac simulations and to allow more precise and realistic uses, 2 different techniques have been traditionally exploited: parallel computing and sophisticated numerical methods. In this work, we combine a modern parallel computing technique based on multicore and graphics processing units (GPUs) and a sophisticated numerical method based on a new space-time adaptive algorithm. We evaluate each technique alone and in different combinations: multicore and GPU, multicore and GPU and space adaptivity, multicore and GPU and space adaptivity and time adaptivity. All the techniques and combinations were evaluated under different scenarios: 3D simulations on slabs, 3D simulations on a ventricular mouse mesh, ie, complex geometry, sinus-rhythm, and arrhythmic conditions. Our results suggest that multicore and GPU accelerate the simulations by an approximate factor of 33×, whereas the speedups attained by the space-time adaptive algorithms were approximately 48. Nevertheless, by combining all the techniques, we obtained speedups that ranged between 165 and 498. The tested methods were able to reduce the execution time of a simulation by more than 498× for a complex cellular model in a slab geometry and by 165× in a realistic heart geometry simulating spiral waves. The proposed methods will allow faster and more realistic simulations in a feasible time with no significant loss of accuracy.

Reliable and efficient a posteriori error estimation for adaptive IGA boundary element methods for weakly-singular integral equations.

We consider the Galerkin boundary element method (BEM) for weakly-singular integral equations of the first-kind in 2D. We analyze some residual-type a posteriori error estimator which provides a lower as well as an upper bound for the unknown Galerkin BEM error. The required assumptions are weak and allow for piecewise smooth parametrizations of the boundary, local mesh-refinement, and related standard piecewise polynomials as well as NURBS. In particular, our analysis gives a first contribution to adaptive BEM in the frame of isogeometric analysis (IGABEM), for which we formulate an adaptive algorithm which steers the local mesh-refinement and the multiplicity of the knots. Numerical experiments underline the theoretical findings and show that the proposed adaptive strategy leads to optimal convergence.

Patient-specific anisotropic model of human trunk based on MR data.

There are many ways to generate geometrical models for numerical simulation, and most of them start with a segmentation step to extract the boundaries of the regions of interest. This paper presents an algorithm to generate a patient-specific three-dimensional geometric model, based on a tetrahedral mesh, without an initial extraction of contours from the volumetric data. Using the information directly available in the data, such as gray levels, we built a metric to drive a mesh adaptation process. The metric is used to specify the size and orientation of the tetrahedral elements everywhere in the mesh. Our method, which produces anisotropic meshes, gives good results with synthetic and real MRI data. The resulting model quality has been evaluated qualitatively and quantitatively by comparing it with an analytical solution and with a segmentation made by an expert. Results show that our method gives, in 90% of the cases, as good or better meshes as a similar isotropic method, based on the accuracy of the volume reconstruction for a given mesh size. Moreover, a comparison of the Hausdorff distances between adapted meshes of both methods and ground-truth volumes shows that our method decreases reconstruction errors faster.

Adaptive mesh refinement techniques for the immersed interface method applied to flow problems.

In this paper, we develop an adaptive mesh refinement strategy of the Immersed Interface Method for flow problems with a moving interface. The work is built on the AMR method developed for two-dimensional elliptic interface problems in the paper [12] (CiCP, 12(2012), 515-527). The interface is captured by the zero level set of a Lipschitz continuous function φ(x, y, t). Our adaptive mesh refinement is built within a small band of |φ(x, y, t)| ≤ δ with finer Cartesian meshes. The AMR-IIM is validated for Stokes and Navier-Stokes equations with exact solutions, moving interfaces driven by the surface tension, and classical bubble deformation problems. A new simple area preserving strategy is also proposed in this paper for the level set method.