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At least 721 records · Page 40

Context-aware learning of hierarchies of low-fidelity models for multi-fidelity uncertainty quantification

Multi-fidelity Monte Carlo methods leverage low-fidelity and surrogate models for variance reduction to make tractable uncertainty quantification even when numerically simulating the physical systems of interest with high-fidelity models is computationally expensive. This work proposes a context-aware multi-fidelity Monte Carlo method that optimally balances the costs of training low-fidelity models with the costs of Monte Carlo sampling. It generalizes the previously developed context-aware bi-fidelity Monte Carlo method to hierarchies of multiple models and to more general types of low-fidelity models. When training low-fidelity models, the proposed approach takes into account the context in which the learned low-fidelity models will be used, namely for variance reduction in Monte Carlo estimation, which allows it to find optimal trade-offs between training and sampling to minimize upper bounds of the mean-squared errors of the estimators for given computational budgets. This is in stark contrast to traditional surrogate modeling and model reduction techniques that construct low-fidelity models with the primary goal of approximating well the high-fidelity model outputs and typically ignore the context in which the learned models will be used in upstream tasks. Further, the proposed context-aware multi-fidelity Monte Carlo method applies to hierarchies of a wide range of types of low-fidelity models such as sparse-grid and deep-network models. Numerical experiments with the gyrokinetic simulation code Gene show speedups of up to two orders of magnitude compared to standard estimators when quantifying uncertainties in small-scale fluctuations in confined plasma in fusion reactors. This corresponds to a runtime reduction from 72 days to four hours on one node of the Lonestar6 supercomputer at the Texas Advanced Computing Center.

42 ENGINEERING↗

Attractive Noncovalent Interactions versus Steric Confinement in Asymmetric Supramolecular Catalysis

The remarkable catalytic performance of enzymes stems from their ability to engage in precise noncovalent interactions (NCIs) within a sterically confined space. Supramolecular catalysis seeks to emulate and understand these strategies through the rational design of simple and controlled catalyst microenvironments. While both steric confinement and attractive interactions have been invoked as key to host activity, their relative contribution to rate enhancement and selectivity, as well as potential trade-offs, remains an outstanding question. Here, we address this question by systematically comparing two metal–organic supramolecular catalysts, which differ in the strength of their attractive noncovalent interactions and in their cavity volume. Our findings reveal that the catalyst with the larger cavity, and with stronger available NCIs, exhibits both significant rate acceleration (100-fold) and enhanced enantioselectivity (84% vs 14% ee) in a model ketone reduction compared to its smaller analogue. Mechanistic analysis, binding competition experiments, and computational modeling indicate that these differences predominantly stem from stabilizing noncovalent interactions in the larger catalyst, a result that challenges existing steric-based models of supramolecular stereoinduction. Understanding the governing factors of asymmetric induction and rate acceleration in supramolecular hosts will undoubtedly inform future catalyst design.

Catalysts↗

Dynamic Phasor Modeling of Various Multipulse Rectifiers and a VSI Fed by 18-Pulse Asymmetrical Autotransformer Rectifier Unit for Fast Transient Analysis

To study the fast modelling of dynamic characteristics caused by power electronic switching, the dynamic phasor (DP) theory based on the time-varying Fourier decomposition and frequency shifting is firstly applied to the modelling of various multipulse rectifiers. The DP model for symmetrical 12-pulse phase-shifting reactor rectifier unit (PSR-RU) is derived with model order reduction, relations between ac and dc terminals, and Taylor series expansion. The DP model of asymmetrical 18-pulse autotransformer rectifier unit (AT-RU) is proposed based on the switching functions expressed in the DP domain. Meanwhile, the DP model of voltage source inverter (VSI) fed by asymmetrical 18-pulse AT-RU is built with the harmonic state-space (HSS) equations. Under both balanced and unbalanced conditions, the good calculation accuracy and rapid simulation speed of the developed DP models are validated by the detailed time-domain (TD) simulation.

42 ENGINEERING↗

Steady state cooling flow models with gas loss for normal elliptical galaxies

A grid of cooling flow models for the hot gas in normal elliptical galaxies is calculated, including the loss of gas due to inhomogeneous cooling. The loss process is modeled as a distributed sink for the gas with the rate of loss being proportional to the local cooling rate. The cooling flow models with gas loss have smaller sonic radii, smaller inflow rates in their central regions, lower densities, and higher temperatures than homogeneous models. The reduction in the amount of hot gas flowing into the center of the models brings the models into much better agreement with the observed X-ray surface brightness profiles of elliptical galaxies. However, there is a large dispersion in the observed X-ray luminosities of ellipticals, and this cannot be explained by variations in the efficiency of gas loss. The gas-loss models have X-ray surface brightness profiles which are much less centrally peaked than the no-gas-loss models.

Sarazin, Craig L.↗

Forced Displacement Technique for Measuring Blunt Body Aerodynamics in a Magnetic Suspension Wind Tunnel

The Old Dominion University/NASA Langley 6-Inch Magnetic Suspension Wind Tunnel has developed the ability to levitate blunt bodies which can oscillate freely about the yaw axis. This allows for the measurement of static and dynamic stability coefficients without sting interference. The magneic suspension controller introduces other translational forces which affect the vehicle dynamics complicating data reduction. Exciting model oscillations in a reliable way has also been a challenge. A new test method has been developed that produces capsule oscillations from forced oscillatory translational motion at the resonant yaw oscillatory frequency of the capsule. After oscillations are excited, the translational forcing motion is suspended to record free oscillation behavior as well. A data reduction method whereby a linear model of the translational and oscillatory motion is used to fit to the measured data and solve for aerodynamic coefficients has also been developed. The work presented shows that the new data reduction

blunt body↗

Forced Displacement Technique for Measuring Blunt Body Aerodynamics in a Magnetic Suspension Wind Tunnel

The Old Dominion University/NASA Langley 6-Inch Magnetic Suspension Wind Tunnel has developed the ability to levitate blunt bodies which can oscillate freely about the yaw axis. This allows for the measurement of static and dynamic stability coefficients without sting interference. The magneic suspension controller introduces other translational forces which affect the vehicle dynamics complicating data reduction. Exciting model oscillations in a reliable way has also been a challenge. A new test method has been developed that produces capsule oscillations from forced oscillatory translational motion at the resonant yaw oscillatory frequency of the capsule. After oscillations are excited, the translational forcing motion is suspended to record free oscillation behavior as well. A data reduction method whereby a linear model of the translational and oscillatory motion is used to fit to the measured data and solve for aerodynamic coefficients has also been developed. The work presented shows that the new data reduction

blunt body↗

Assessment of current state of the art in modeling techniques and analysis methods for large space structures

Advances in continuum modeling, progress in reduction methods, and analysis and modeling needs for large space structures are covered with specific attention given to repetitive lattice trusses. As far as continuum modeling is concerned, an effective and verified analysis capability exists for linear thermoelastic stress, birfurcation buckling, and free vibration problems of repetitive lattices. However, application of continuum modeling to nonlinear analysis needs more development. Reduction methods are very effective for bifurcation buckling and static (steady-state) nonlinear analysis. However, more work is needed to realize their full potential for nonlinear dynamic and time-dependent problems. As far as analysis and modeling needs are concerned, three areas are identified: loads determination, modeling and nonclassical behavior characteristics, and computational algorithms. The impact of new advances in computer hardware, software, integrated analysis, CAD/CAM stems, and materials technology is also discussed.

Noor, A. K.↗

Theoretical foundation for measuring the groundwater age distribution.

In this study, we use PFLOTRAN, a highly scalable, parallel, flow and reactive transport code to simulate the concentrations of 3H, 3He, CFC-11, CFC-12, CFC-113, SF6, 39Ar, 81Kr, 4He and themean groundwater age in heterogeneous fields on grids with an excess of 10 million nodes. We utilize this computational platform to simulate the concentration of multiple tracers in high-resolution, heterogeneous 2-D and 3-D domains, and calculate tracer-derived ages. Tracer-derived ages show systematic biases toward younger ages when the groundwater age distribution contains water older than the maximum tracer age. The deviation of the tracer-derived age distribution from the true groundwater age distribution increases with increasing heterogeneity of the system. However, the effect of heterogeneity is diminished as the mean travel time gets closer the tracer age limit. Age distributions in 3-D domains differ significantly from 2-D domains. 3D simulations show decreased mean age, and less variance in age distribution for identical heterogeneity statistics. High-performance computing allows for investigation of tracer and groundwater age systematics in high-resolution domains, providing a platform for understanding and utilizing environmental tracer and groundwater age information in heterogeneous 3-D systems. Groundwater environmental tracers can provide important constraints for the calibration of groundwater flow models. Direct simulation of environmental tracer concentrations in models has the additional advantage of avoiding assumptions associated with using calculated groundwater age values. This study quantifies model uncertainty reduction resulting from the addition of environmental tracer concentration data. The analysis uses a synthetic heterogeneous aquifer and the calibration of a flow and transport model using the pilot point method. Results indicate a significant reduction in the uncertainty in permeability with the addition of environmental tracer data, relative to the use of hydraulic measurements alone. Anthropogenic tracers and their decay products, such as CFC11, 3H, and 3He, provide significant constraint oninput permeability values in the model. Tracer data for 39Ar provide even more complete information on the heterogeneity of permeability and variability in the flow system than the anthropogenic tracers, leading to greater parameter uncertainty reduction.

Gardner, William Payton↗

A Scalable Reduced‐Order Model for the Steady Navier–Stokes Equations

Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numerical methods are computationally intractable even for intermediate pilot plant scales. Recently, the component reduced order modeling method has been developed to tackle this challenge by combining projection reduced order modeling and discontinuous Galerkin domain decomposition. However, while many scientific or engineering applications involve nonlinear physics, this method has only been demonstrated for various linear systems. In this work, the component reduced order modeling method is extended to steady Navier–Stokes flow, with application to general nonlinear physics in view. The large‐scale, global domain is decomposed into a combination of small‐scale unit component. Linear subspaces for flow velocity and pressure are identified via proper orthogonal decomposition over sample snapshots collected from each small‐scale unit component. Velocity bases are augmented with a pressure supremizer to satisfy the inf–sup condition for stable pressure prediction. Two different nonlinear reduced order modeling methods are employed and compared for efficient evaluation of nonlinear advection: A third‐order tensor projection operator and the empirical quadrature procedure. The proposed method is demonstrated on the flow over arrays of five different unit objects, achieving a 23‐fold speedup with less than 4% relative error in domains up to 256 times larger than the unit components. Furthermore, a numerical experiment with the pressure supremizer strongly indicates the need for a supremizer for stable pressure prediction. A comparison between the tensorial approach and the empirical quadrature procedure revealed a slight advantage of the empirical quadrature procedure. The framework is compared with an alternating Schwarz‐based reduced‐order approach, demonstrating improved efficiency and robustness for the DG‐based global solver while retaining flexibility for sub‐scale iterative solvers. The method is further extended to a coupled advection–diffusion and Navier–Stokes system, illustrating its applicability to multi‐physics problems and its potential for more general, inter‐coupled nonlinear systems.

42 ENGINEERING↗

Non-intrusive reduced-order modeling for dynamical systems with spatially localized features

This work presents a non-intrusive reduced-order modeling framework for dynamical systems with spatially localized features characterized by slow singular value decay. The proposed approach builds upon two existing methodologies for reduced and full-order non-intrusive modeling, namely Operator Inference (OpInf) and sparse Full-Order Model (sFOM) inference. We decompose the domain into two complementary subdomains that exhibit fast and slow singular value decay. The dynamics of the subdomain exhibiting slow singular value decay are learned with sFOM while the dynamics with intrinsically low dimensionality on the complementary subdomain are learned with OpInf. The resulting, coupled OpInf-sFOM formulation leverages the computational efficiency of OpInf and the high resolution of sFOM, and thus enables fast non-intrusive predictions for conditions beyond those sampled in the training data set. A novel regularization technique with a closed-form solution based on the Gershgorin disk theorem is introduced to promote stable sFOM and OpInf models. We also provide a data-driven indicator for subdomain selection and ensure solution smoothness over the interface via a post-processing interpolation step. We evaluate the efficiency of the approach in terms of offline and online speedup through a quantitative, parametric computational cost analysis. We demonstrate the coupled OpInf-sFOM formulation for two test cases: a one-dimensional Burgers’ model for which accurate predictions beyond the span of the training snapshots are presented, and a two-dimensional parametric model for the Pine Island Glacier ice thickness dynamics, for which the OpInf-sFOM model achieves an average prediction error on the order of 1% with an online speedup factor of approximately 8$\times$ compared to the numerical simulation.

42 ENGINEERING↗

Extending Parsimonious Bayesian Inference

Parsimonious Bayesian inference is a theoretical framework for efficient data assimilation that seeks to balance increased consistency between predictions and training data against corresponding increases in model complexity. Within this framework, over-training is understood as optimization that encodes excessive information within model parameters while only achieving small improvements between predictions and training data. This project aims to develop practical methods of limiting excess model information during optimization. One key observation is that practical heuristics for parsimonious learning in high-dimensions must balance expressivity, i.e. the ability of the model to capture diverse predictions with only a few non-zero parameters, against discoverability, i.e. the ability to train the model with gradient-based optimization and drive parameters to low information states. As such, we developed logical activation functions that are able to adaptively approximate arbitrary truth tables that define Boolean logic operations within a probabilistic framework. These functions have demonstrated the ability to learn exclusive disjunction (XOR) and conditioned disjunction (if [condition] then [result_if_true] else [result_if_false]) within a single layer of a neural network. To efficiently exploit these activation functions to drive parsimonious learning required several other advances within the domain of variational inference. The most efficient form of complexity suppression is structured sparsification, driving most model parameters to zero while achieving the structural coherence among nonzeros needed for bandwidth reduction. Such models are not only far more efficient at suppressing information-theoretic complexity, they also reduce the other forms of complexity (computations, communication, storage, and the number of dependencies needed to evaluate predictions). Aiming to support enhanced sparsification, this project examined new approaches to high-dimensional variational inference that allow us to calibrate and control parameter uncertainty during optimization. By identifying which parameters can sustain sparsifying perturbations with little impact on prediction quality, we can develop better pruning strategies by framing them as approximate Bayesian inference. These advances also open paths to mitigate concerns with deploying advanced learning methods in resource-constrained environments, such as running models on power-limited or communication-limited devices.

97 MATHEMATICS AND COMPUTING↗

Acoustic Performance of Novel Fan Noise Reduction Technologies for a High Bypass Model Turbofan at Simulated Flights Conditions

Two novel fan noise reduction technologies, over the rotor acoustic treatment and soft stator vane technologies, were tested in an ultra-high bypass ratio turbofan model in the NASA Glenn Research Center s 9- by 15-Foot Low-Speed Wind Tunnel. The performance of these technologies was compared to that of the baseline fan configuration, which did not have these technologies. Sideline acoustic data and hot film flow data were acquired and are used to determine the effectiveness of the various treatments. The material used for the over the rotor treatment was foam metal and two different types were used. The soft stator vanes had several internal cavities tuned to target certain frequencies. In order to accommodate the cavities it was necessary to use a cut-on stator to demonstrate the soft vane concept.

Elliott, David M.↗

Global kinetic modeling of NH 3 -SCR with two sites of NH 3 storage on Cu-SSZ-13

A comprehensive selective catalytic reduction (SCR) model is developed to detail the global kinetic reactions in the catalyst which is involved in two type of sites for high- and low-temperature NH 3 adsorption/desorption, as well as a low temperature H 2 O storage. The model accounts for the formation of ammonium nitrate in fast SCR and the decomposition formation of ammonium nitrate in the absence of NO, and addresses N 2 O relative to NO and NO 2 reactions with NH 3 . The model has been validated against commercial Cu-SSZ-13 measurements of NH 3 inventory, NH 3 oxidation, NO oxidation, standard SCR, fast SCR and NO 2 SCR at both comprehensive steady-state and transient conditions. In addition, the application of the SCR model for emissions control over a transient drive cycle at cold start was demonstrated based on diesel oxidation catalyst (DOC) and SCR aftertreatment system for a passenger car. In conclusion, the results show that the SCR model can provide the detailed emissions estimations for steady-state and transient conditions, can assist with understanding the impact of the SCR reaction mechanism, and can assist with the design and optimization of SCR catalysts to develop innovative technologies for co-optimization of engine fuel economy and emissions control technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automatic Dynamic Aircraft Modeler (ADAM) for the Computer Program NASTRAN

Large general purpose finite element programs require users to develop large quantities of input data. General purpose pre-processors are used to decrease the effort required to develop structural models. Further reduction of effort can be achieved by specific application pre-processors. Automatic Dynamic Aircraft Modeler (ADAM) is one such application specific pre-processor. General purpose pre-processors use points, lines and surfaces to describe geometric shapes. Specifying that ADAM is used only for aircraft structures allows generic structural sections, wing boxes and bodies, to be pre-defined. Hence with only gross dimensions, thicknesses, material properties and pre-defined boundary conditions a complete model of an aircraft can be created.

Griffis, H.↗

A Tailored Convolutional Neural Network for Nonlinear Manifold Learning of Computational Physics Data Using Unstructured Spatial Discretizations

In this work, we propose a nonlinear manifold learning technique based on deep convolutional autoencoders that is appropriate for model order reduction of physical systems in complex geometries. Convolutional neural networks have proven to be highly advantageous for compressing data arising from systems demonstrating a slow-decaying Kolmogorov n-width. However, these networks are restricted to data on structured meshes. Unstructured meshes are often required for performing analyses of real systems with complex geometry. Our custom graph convolution operators based on the available differential operators for a given spatial discretization effectively extend the application space of deep convolutional autoencoders to systems with arbitrarily complex geometry that are typically discretized using unstructured meshes. We propose sets of convolution operators based on the spatial derivative operators for the underlying spatial discretization, making the method particularly well suited to data arising from the solution of partial differential equations. We demonstrate the method using examples from heat transfer and fluid mechanics and show better than an order of magnitude improvement in accuracy over linear methods.

97 MATHEMATICS AND COMPUTING↗

Assessment of the dose reduction potential of a model-based iterative reconstruction algorithm using a task-based performance metrology

Purpose: Different computed tomography (CT) reconstruction techniques offer different image quality attributes of resolution and noise, challenging the ability to compare their dose reduction potential against each other. The purpose of this study was to evaluate and compare the task-based imaging performance of CT systems to enable the assessment of the dose performance of a model-based iterative reconstruction (MBIR) to that of an adaptive statistical iterative reconstruction (ASIR) and a filtered back projection (FBP) technique. Methods: The ACR CT phantom (model 464) was imaged across a wide range of mA setting on a 64-slice CT scanner (GE Discovery CT750 HD, Waukesha, WI). Based on previous work, the resolution was evaluated in terms of a task-based modulation transfer function (MTF) using a circular-edge technique and images from the contrast inserts located in the ACR phantom. Noise performance was assessed in terms of the noise-power spectrum (NPS) measured from the uniform section of the phantom. The task-based MTF and NPS were combined with a task function to yield a task-based estimate of imaging performance, the detectability index (d′). The detectability index was computed as a function of dose for two imaging tasks corresponding to the detection of a relatively small and a relatively large feature (1.5 and 25 mm, respectively). The performance of MBIR in terms of the d′ was compared with that of ASIR and FBP to assess its dose reduction potential. Results: Results indicated that MBIR exhibits a variability spatial resolution with respect to object contrast and noise while significantly reducing image noise. The NPS measurements for MBIR indicated a noise texture with a low-pass quality compared to the typical midpass noise found in FBP-based CT images. At comparable dose, the d′ for MBIR was higher than those of FBP and ASIR by at least 61% and 19% for the small feature and the large feature tasks, respectively. Compared to FBP and ASIR, MBIR indicated a 46%–84% dose reduction potential, depending on task, without compromising the modeled detection performance. Conclusions: The presented methodology based on ACR phantom measurements extends current possibilities for the assessment of CT image quality under the complex resolution and noise characteristics exhibited with statistical and iterative reconstruction algorithms. The findings further suggest that MBIR can potentially make better use of the projections data to reduce CT dose by approximately a factor of 2. Alternatively, if the dose held unchanged, it can improve image quality by different levels for different tasks.

60 APPLIED LIFE SCIENCES↗

Aerodynamic Simulation of Ice Accretion on Airfoils

This report describes recent improvements in aerodynamic scaling and simulation of ice accretion on airfoils. Ice accretions were classified into four types on the basis of aerodynamic effects: roughness, horn, streamwise, and spanwise ridge. The NASA Icing Research Tunnel (IRT) was used to generate ice accretions within these four types using both subscale and full-scale models. Large-scale, pressurized windtunnel testing was performed using a 72-in.- (1.83-m-) chord, NACA 23012 airfoil model with high-fidelity, three-dimensional castings of the IRT ice accretions. Performance data were recorded over Reynolds numbers from 4.5 x 10(exp 6) to 15.9 x 10(exp 6) and Mach numbers from 0.10 to 0.28. Lower fidelity ice-accretion simulation methods were developed and tested on an 18-in.- (0.46-m-) chord NACA 23012 airfoil model in a small-scale wind tunnel at a lower Reynolds number. The aerodynamic accuracy of the lower fidelity, subscale ice simulations was validated against the full-scale results for a factor of 4 reduction in model scale and a factor of 8 reduction in Reynolds number. This research has defined the level of geometric fidelity required for artificial ice shapes to yield aerodynamic performance results to within a known level of uncertainty and has culminated in a proposed methodology for subscale iced-airfoil aerodynamic simulation.

Broeren, Andy P.↗

Development of technology for modeling of a 1/8-scale dynamic model of the shuttle Solid Rocket Booster (SRB)

A NASTRAN analysis of the solid rocket booster (SRB) substructure of the space shuttle 1/8-scale structural dynamics model. The NASTRAN finite element modeling capability was first used to formulate a model of a cylinder 10 in. radius by a 200 in. length to investigate the accuracy and adequacy of the proposed grid point spacing. Results were compared with a shell analysis and demonstrated relatively accurate results for NASTRAN for the lower modes, which were of primary interest. A finite element model of the full SRB was then formed using CQUAD2 plate elements containing membrane and bending stiffness and CBAR offset bar elements to represent the longerons and frames. Three layers of three-dimensional CHEXAI elements were used to model the propellant. This model, consisting of 4000 degrees of freedom (DOF) initially, was reduced to 176 DOF using Guyan reduction. The model was then submitted for complex Eigenvalue analysis. After experiencing considerable difficulty with attempts to run the complete model, it was split into two substructres. These were run separately and combined into a single 116 degree of freedom A set which was successfully run. Results are reported.

Levy, A.↗