Optimization of micropillar sequences for fluid flow sculpting

Inertial fluid flow deformation around pillars in a microchannel is a new method for controlling fluid flow. Sequences of pillars have been shown to produce a rich phase space with a wide variety of flow transformations. Previous work has successfully demonstrated manual design of pillar sequences to achieve desired transformations of the flow cross-section, with experimental validation. However, such a method is not ideal for seeking out complex sculpted shapes as the search space quickly becomes too large for efficient manual discovery. We explore fast, automated optimization methods to solve this problem. We formulate the inertial flow physics in microchannels with different micropillar configurations as a set of state transition matrix operations. These state transition matrices are constructed from experimentally validated streamtraces. This facilitates modeling the effect of a sequence of micropillars as nested matrix-matrix products, which have very efficient numerical implementations. With this new forward model, arbitrary micropillar sequences can be rapidly simulated with various inlet configurations, allowing optimization routines quick access to a large search space. We integrate this framework with the genetic algorithm and showcase its applicability by designing micropillar sequences for various useful transformations. We computationally discover micropillar sequences for complex transformations that are substantially shorter than manually designed sequences. We also determine sequences for novel transformations that were difficult to manually design. Finally, we experimentally validate these computational designs by fabricating devices and comparing predictions with the results from confocal microscopy

Calibration of Computational Models with Categorical Parameters and Correlated Outputs via Bayesian Smoothing Spline ANOVA

It has become commonplace to use complex computer models to predict outcomes in regions where data does not exist. Typically these models need to be calibrated and validated using some experimental data, which often consists of multiple correlated outcomes. In addition, some of the model parameters may be categorical in nature, such as a pointer variable to alternate models (or submodels) for some of the physics of the system. Here we present a general approach for calibration in such situations where an emulator of the computationally demanding models and a discrepancy term from the model to reality are represented within a Bayesian Smoothing Spline (BSS) ANOVA framework. The BSS-ANOVA framework has several advantages over the traditional Gaussian Process, including ease of handling categorical inputs and correlated outputs, and improved computational efficiency. Finally this framework is then applied to the problem that motivated its design; a calibration of a computational fluid dynamics model of a bubbling fluidized which is used as an absorber in a CO2 capture system

The GNAT method for nonlinear model reduction: effective implementation and application to computational fluid dynamics and turbulent flows

The Gauss--Newton with approximated tensors (GNAT) method is a nonlinear model reduction method that operates on fully discretized computational models. It achieves dimension reduction by a Petrov--Galerkin projection associated with residual minimization; it delivers computational efficency by a hyper-reduction procedure based on the `gappy POD' technique. Originally presented in Ref. [1], where it was applied to implicit nonlinear structural-dynamics models, this method is further developed here and applied to the solution of a benchmark turbulent viscous flow problem. To begin, this paper develops global state-space error bounds that justify the method's design and highlight its advantages in terms of minimizing components of these error bounds. Next, the paper introduces a `sample mesh' concept that enables a distributed, computationally efficient implementation of the GNAT method in finite-volume-based computational-fluid-dynamics (CFD) codes. The suitability of GNAT for parameterized problems is highlighted with the solution of an academic problem featuring moving discontinuities. Finally, the capability of this method to reduce by orders of magnitude the core-hours required for large-scale CFD computations, while preserving accuracy, is demonstrated with the simulation of turbulent flow over the Ahmed body. For an instance of this benchmark problem with over 17 million degrees of freedom, GNAT outperforms several other nonlinear model-reduction methods, reduces the required computational resources by more than two orders of magnitude, and delivers a solution that differs by less than 1% from its high-dimensional counterpart

The LifeV library: engineering mathematics beyond the proof of concept

LifeV is a library for the finite element (FE) solution of partial differential equations in one, two, and three dimensions. It is written in C++ and designed to run on diverse parallel architectures, including cloud and high performance computing facilities. In spite of its academic research nature, meaning a library for the development and testing of new methods, one distinguishing feature of LifeV is its use on real world problems and it is intended to provide a tool for many engineering applications. It has been actually used in computational hemodynamics, including cardiac mechanics and fluid-structure interaction problems, in porous media, ice sheets dynamics for both forward and inverse problems. In this paper we give a short overview of the features of LifeV and its coding paradigms on simple problems. The main focus is on the parallel environment which is mainly driven by domain decomposition methods and based on external libraries such as MPI, the Trilinos project, HDF5 and ParMetis. Dedicated to the memory of Fausto Saleri.Comment: Review of the LifeV Finite Element librar

Investigation of Reduced-Order Modeling for Aircraft Stability and Control Prediction

High-fidelity computational fluid dynamics tools offer the potential to approximate increments for ground-to-flight scaling effects, as well as to augment the dynamic damping derivative data for motion-based flight simulators. Unfortunately, the computational expense is currently prohibitive for populating a complete simulator database. This work investigates an existing surrogate-based, indicial response reduced-order model methodology as a means to efficiently augment a flight simulator database with high-fidelity nonlinear aerodynamic damping derivatives. Creation of the reduced-order model is based on the superposition integrals of the step response with the derivative of its corresponding input signal. Step responses are calculated using a computational grid motion approach that separates the effects of angle of attack and sideslip angle from angular rates, and rates from angle of attack and sideslip. It is demonstrated that the transients produced during the start of a forced-oscillation motion are captured by the reduced-order model to the level of fidelity of a comparable computational solution. Aerodynamic coefficients computed within minutes by the reduced-order model for an aircraft undergoing an 18-second half Lazy-8 maneuver and a 25-second Immelmann turn maneuver are compared with those from full computational flight solutions that required days to complete. Finally, a cost-benefit assessment is included that demonstrates a compelling advantage for this approach. d for maneuvering, flexible vehicles

Grid simulation services for the medical community

The first part of this paper presents a selection of medical simulation applications, including image reconstruction, near real-time registration for neuro-surgery, enhanced dose distribution calculation for radio-therapy, inhaled drug delivery prediction, plastic surgery planning and cardio-vascular system simulation. The latter two topics are discussed in some detail. In the second part, we show how such services can be made available to the clinical practitioner using Grid technology. We discuss the developments and experience made during the EU project GEMSS, which provides reliable, efficient, secure and lawful medical Grid services

Novel Algorithms for Merging Computational Fluid Dynamics and 4D Flow MRI

Time-resolved three-dimensional spatial encoding combined with three-directional velocity-encoded phase contrast magnetic resonance imaging (termed as 4D flow MRI), can provide valuable information for diagnosis, treatment, and monitoring of vascular diseases. The accuracy of this technique, however, is limited by errors in flow estimation due to acquisition noise as well as systematic errors. Furthermore, available spatial resolution is limited to 1.5mm - 3mm and temporal resolution is limited to 30-40ms. This is often grossly inadequate to resolve flow details in small arteries, such as those in cerebral circulation. Recently, there have been efforts to address the limitations of the spatial and temporal resolution of MR flow imaging through the use of computational fluid dynamics (CFD). While CFD is capable of providing essentially unlimited spatial and temporal resolution, numerical results are very sensitive to errors in estimation of the flow boundary conditions. In this work, we present three novel techniques that combine CFD with 4D flow MRI measurements in order to address the resolution and noise issues. The first technique is a variant of the Kalman Filter state estimator called the Ensemble Kalman Filter (EnKF). In this technique, an ensemble of patient-specific CFD solutions are used to compute filter gains. These gains are then used in a predictor-corrector scheme to not only denoise the data but also increase its temporal and spatial resolution. The second technique is based on proper orthogonal decomposition and ridge regression (POD-rr). The POD method is typically used to generate reduced order models (ROMs) in closed control applications of large degree of freedom systems that result from discretization of governing partial differential equations (PDE). The POD-rr process results in a set of basis functions (vectors), that capture the local space of solutions of the PDE in question. In our application, the basis functions are generated from an ensemble of patient-specific CFD solutions whose boundary conditions are estimated from 4D flow MRI data. The CFD solution that should be most closely representing the actual flow is generated by projecting 4D flow MRI data onto the basis vectors followed by reconstruction in both MRI and CFD resolution. The rr algorithm was used for between resolution mapping. Despite the accuracy of using rr as the mapping step, due to manual adjustment of a coefficient in the algorithm we developed the third algorithm. In this step, the rr algorithm was substituded with a dynamic mode decomposition algorithm to preserve the robustness. These algorithms have been implemented and tested using a numerical model of the flow in a cerebral aneurysm. Solutions at time intervals corresponding to the 4D flow MRI temporal resolution were collected and downsampled to the spatial resolution of the imaging data. A simulated acquisition noise was then added in k-space. Finally, the simulated data affected by noise were used as an input to the merging algorithms. Rigorous comparison to state-of-the-art techniques were conducted to assess the accuracy and performance of the proposed method. The results provided denoised flow fields with less than 1\% overall error for different signal-to-noise ratios. At the end, a small cohort of three patients were corrected and the data were reconstructed using different methods, the wall shear stress (WSS) was calculated using different reconstructed data and the results were compared. As it has been shown in chapter 5, the calculated WSS using different methods results in mutual high and low shear stress regions, however, the exact value and patterns are significantly different