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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Development of the uncertainty quantification toolkit's python interface and surrogate construction tutorial

The uncertainty quantification toolkit (UQTk) is a collection of c++ libraries that assess the confidence of numerical models. Surrogate approximations, often polynomial chaos expansions (PCEs), lessen the computational cost of these assessments. I developed a Python interface in UQTk for regression and Bayesian compressive sensing to add to the existing Galerkin projection method. These methods receive an object containing the polynomial basis information and NumPy arrays of sample points, call c++ methods, and return the PCE coefficients in a NumPy array. To demonstrate these methods, I wrote a tutorial in which I use them to construct surrogates for Genz functions and calculate the resulting error.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

UQ4QM: Uncertainty Quantification for Quantum Materials (Chemical Dynamics Initiative Final Report)

The Uncertainty Quantification for Quantum Materials (UQ4QM) LDRD project focused on developing solutions for strategic two project areas the Chemical Dynamics Initiative (CDi) Use Case 3. This included data-driven approaches toward understanding heterogeneous data, such as multi-fidelity data or data with unknown spatial or temporal perturbations. The applications were varied but the project aims pursued solutions which were amenable to common UQ approaches in order to maximize impact.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stochastic finite volume method for uncertainty quantification of transient flow in gas pipeline networks

We develop a weakly intrusive framework to simulate the propagation of uncertainty in solutions of generic hyperbolic partial differential equation systems on graph-connected domains with nodal coupling and boundary conditions. The method is based on the Stochastic Finite Volume (SFV) approach and can be applied for uncertainty quantification (UQ) of the dynamical state of fluid flow over actuated transport networks. The numerical scheme has specific advantages for modeling intertemporal uncertainty in time-varying boundary parameters, which cannot be characterized by strict upper and lower (interval) bounds. We describe the scheme for a single pipe, and then formulate the controlled junction Riemann problem (JRP) that enables the extension to general network structures. In conclusion, we demonstrate the method's capabilities and performance characteristics using a standard benchmark test network.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2021

An Uncertainty Quantification Framework for Autonomous Flight System Tracking and Health Monitoring

This work proposes a perspective towards establishing a framework for uncertainty quantification of autonomous system tracking and health monitoring. The approach leverages the use of a predictive process structure, which maps uncertainty sources and their interaction according to the quantity of interest and the goal of the predictive estimation. It is systematic and uses basic elements that are system agnostic, and therefore needs to be tailored according to the specificity of the application. This work is motivated by the interest in low-altitude unmanned aerial vehicle operations, where awareness of vehicle and airspace state becomes more relevant as the density of autonomous operations grows rapidly. Predicted scenarios in the area of small vehicle operations and urban air mobility have no precedent, and holistic frameworks to perform prognostics and health management (PHM) at the system- and airspace-level are missing formal approaches to account for uncertainty. At the end of the paper, two case studies demonstrate implementation framework of trajectory tracking and health diagnosis for a small unmanned aerial vehicle. This work has been accepted for publication at the International Journal of Prognostics and Health Management Jan 2021. Minor edits have been incorporated to this original submission to incorporate complete overview and software integration.

Uncertainty Quantification↗
NASA NTRS2012

UQTools: The Uncertainty Quantification Toolbox - Introduction and Tutorial

UQTools is the short name for the Uncertainty Quantification Toolbox, a software package designed to efficiently quantify the impact of parametric uncertainty on engineering systems. UQTools is a MATLAB-based software package and was designed to be discipline independent, employing very generic representations of the system models and uncertainty. Specifically, UQTools accepts linear and nonlinear system models and permits arbitrary functional dependencies between the system s measures of interest and the probabilistic or non-probabilistic parametric uncertainty. One of the most significant features incorporated into UQTools is the theoretical development centered on homothetic deformations and their application to set bounding and approximating failure probabilities. Beyond the set bounding technique, UQTools provides a wide range of probabilistic and uncertainty-based tools to solve key problems in science and engineering.

Kenny, Sean P.↗
NASA NTRSDate not supplied

Uncertainty Quantification and Sensitivity Analysis in Process-Structure-Property Simulations for Laser Powder Bed Fusion Additive Manufacturing

Process variations and process-induced defects like porosity cause significant uncertainty in the microstructure and mechanical behavior of additively manufactured metals. Establishing process-structure-property (PSP) relationships and quantifying uncertainty using experiments alone is costly, especially for structural applications where mechanical allowables must be established for qualification and certification. This work presents a PSP simulation framework for laser powder bed fusion with a focus on uncertainty quantification through probabilistic calibration and multi-fidelity uncertainty propagation. Motivated by phenomenological input parameters related to grain nucleation and growth that are difficult to characterize, a global sensitivity analysis (GSA) is completed. Through GSA, the most important input parameters are identified based on their influence on the statistical distributions of microstructural metrics that influence mechanical behavior, including grain size, morphology, and crystallographic texture. The results provide insight on what experiments are necessary to quantify and control PSP uncertainties, particularly those associated with the more challenging input parameters.

additive manufacturing↗
DOE OSTI2025

Fast HARDI Uncertainty Quantification and Visualization with Spherical Sampling

In this paper, we study uncertainty quantification and visualization of orientation distribution functions (ODF), which corresponds to the diffusion profile of high angular resolution diffusion imaging (HARDI) data. The shape inclusion probability (SIP) function is the state‐of‐the‐art method for capturing the uncertainty of ODF ensembles. The current method of computing the SIP function with a volumetric basis exhibits high computational and memory costs, which can be a bottleneck to integrating uncertainty into HARDI visualization techniques and tools. We propose a novel spherical sampling framework for faster computation of the SIP function with lower memory usage and increased accuracy. In particular, we propose direct extraction of SIP isosurfaces, which represent confidence intervals indicating spatial uncertainty of HARDI glyphs, by performing spherical sampling of ODFs. Our spherical sampling approach requires much less sampling than the state‐of‐the‐art volume sampling method, thus providing significantly enhanced performance, scalability, and the ability to perform implicit ray tracing. Our experiments demonstrate that the SIP isosurfaces extracted with our spherical sampling approach can achieve up to 8164× speedup, 37282× memory reduction, and 50.2% less SIP isosurface error compared to the classical volume sampling approach. We demonstrate the efficacy of our methods through experiments on synthetic and human‐brain HARDI datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Very small-scale, segregating-fluidized-bed experiments: A dataset for CFD-DEM validation and uncertainty quantification

IWe report fluidization experiments were conducted on a small scale and with a rapid response (short duration) to enable corresponding simulations at low-computational cost. Rise times are reported for four or fewer polyethylene particles (intruders) in an air-fluidized bed of ~5000 group D glass beads. Experimental inputs were completely characterized—particle properties, system dimensions and operating conditions—which is necessary for validating computational fluid mechanics (CFD)-discrete element method (DEM) including a comprehensive uncertainty quantification (UQ) analysis. Input uncertainties are reported as bounds or cumulative distribution functions of measured values. The staggering number of simulations required to complete a UQ analysis (~O[10 4 ] simulations corresponding to ~5 uncertain inputs) motivates this study. These segregating-bed experiments are designed to permit analogous CFD-DEM simulations to complete in less than a day on a single (~2.5 GHz) computational processor unit (CPU). Segregation times are reported for several operating conditions, intruder sizes, and initial configurations, providing a rich dataset for numerical model testing, validation and UQ.

42 ENGINEERING↗
DOE OSTI2023

Uncertainty quantification in machine learning for engineering design and health prognostics: A tutorial

On top of machine learning (ML) models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and reliability improvement of ML models empowered by UQ has the potential to significantly facilitate the broad adoption of ML solutions in high-stakes decision settings, such as healthcare, manufacturing, and aviation, to name a few. In this tutorial, we aim to provide a holistic lens on emerging UQ methods for ML models with a particular focus on neural networks and the applications of these UQ methods in tackling engineering design as well as prognostics and health management problems. Towards this goal, we start with a comprehensive classification of uncertainty types, sources, and causes pertaining to UQ of ML models. Next, we provide a tutorial-style description of several state-of-the-art UQ methods: Gaussian process regression, Bayesian neural network, neural network ensemble, and deterministic UQ methods focusing on spectral-normalized neural Gaussian process. Established upon the mathematical formulations, we subsequently examine the soundness of these UQ methods quantitatively and qualitatively (by a toy regression example) to examine their strengths and shortcomings from different dimensions. Then, we review quantitative metrics commonly used to assess the quality of predictive uncertainty in classification and regression problems. Afterward, we discuss the increasingly important role of UQ of ML models in solving challenging problems in engineering design and health prognostics. In conclusion, two case studies with source codes available on GitHub are used to demonstrate these UQ methods and compare their performance in the life prediction of lithium-ion batteries at the early stage (case study 1) and the remaining useful life prediction of turbofan engines (case study 2).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Theoretical uncertainty quantification for heavy-ion fusion

Despite recent advances and focus on rigorous uncertainty quantification for microscopic models of quantum many-body systems, the uncertainty on the dynamics of those systems has been underexplored. To address this, we have used time-dependent Hartree-Fock to examine the model uncertainty for a collection of low-energy, heavy-ion fusion reactions. Fusion reactions at near-barrier energies represent a rich test-bed for the dynamics of quantum many-body systems owing to the complex interplay of collective excitation, transfer, and static effects that determine the fusion probability of a given system. The model uncertainty is sizable for many of the systems studied and the primary contribution arises from static properties that are ill-constrained, such as the neutron radius of neutron-rich nuclei. Furthermore, these large uncertainties motivate the use of information from reactions to better constrain existing models and to infer static properties from reaction data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Uncertainty Quantification Enabled by Automatic Differentiation for Hydrodynamic Simulation of Shock‐to‐Detonation Transition in High Explosives

Quantifying the effects of uncertainty in a reactive burn model on the run-to-detonation time in high explosives (HEs) provides a robust methodology for assessing the probability of an HE failing the IHE qualification standard. Moreover, uncertainty quantification helps evaluate whether the model calibration accurately represents data outside the calibration set. This study uses a specialized hydrodynamic simulation code for modeling detonation to determine the run-to-detonation time of the HE PBX 9502 for various impact velocities. To quickly approximate uncertainties in the model, a surrogate was constructed using a Taylor series expansion centered at the mean of the input parameters. To obtain the sensitivities required for constructing the Taylor series, HYP-percomplex Automatic Differentiation (HYPAD) was implemented. HYPAD is a methodology for infusing existing codes with automatic differentiation capabilities by augmenting variables with one or more imaginary units to compute step-size independent partial derivatives. These derivatives are accurate to machine precision with respect to the implemented numerical algorithm, meaning their accuracy reflects that of the underlying method (e.g., integration or discretization schemes). Using reduced order modeling techniques, the mean and standard deviation of the run-to-detonation time of a shock within PBX 9502 were computed for a number of initial impact velocities. A weighted least squares regression was then performed to obtain a best fit curve and prediction interval for the computed statistics. Historical data points from explosively driven wedge tests were utilized to validate the prediction interval, ensuring its reliability in predicting future outcomes. With this prediction interval and a known safety constraint curve, the most probable point of failure and the probability of failure for the HE PBX 9502 were determined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Probabilistic Predictions for Fastener Failure in the Sandia Mechanics Challenge Using the Discrete-Direct Uncertainty Quantification Approach

This paper documents the blind and post-blind analysis predictions for the 2023 Sandia Mechanics Challenge (SMC), which involved predicting the behavior of a threaded fastener joint structure subjected to shock loading. Utilizing repeat sets of fastener calibration data from various experimental configurations including tension, double shear, and joint tension, we developed a library of calibrated models which were propagated through the application model using the Discrete-Direct (DD) uncertainty quantification (UQ) approach. Although the initial blind predictions did not incorporate spare-sample processing to quantify fastener failure probabilities, the analyses yielded reasonable conclusions aligned with experimental results. In the post-blind analysis phase, we focused on enhancing the fidelity of the aluminum constitutive model and innovating the DD approach to obtain probabilistic predictions for fastener failure, particularly when quantities of interest (QoIs) approach their bounds. The improved aluminum model captures the behavior of the cantilever under shock loading more accurately, predicting both partial and complete cracks, although it tends to underpredict failure propagation. The enhanced DD approach facilitates probabilistic predictions that reflect the interdependent failure mechanisms of the fasteners and the cantilever, revealing that while certain fasteners are more likely to fail, the failure does not necessarily follow a progressive pattern. Overall, the post-blind analyses significantly improved the predictive capabilities of the model, providing valuable insights into the SMC application and establishing a robust foundation for informed engineering decisions. The methodology demonstrates a cost-effective and extensible approach suitable for a wide range of applications, highlighting the importance of uncertainty quantification to provide context for engineering decision making.

42 ENGINEERING↗
NASA NTRSDate not supplied

A Practical Approach to Uncertainty Quantification Using Probability Boxes

To date, while the use of CFD for aerospace vehicle design and development is prevalent, the documentation of uncertainties associated with the simulations are rare. Instead, the current state-of-the-art relies heavily on the experience of the CFD practitioner to estimate the uncertainty associated with their simulations through simple sensitivity studies or subject matter expertise. This practice will have to be replaced with a formal uncertainty quantification (UQ) process if CFD is to play an expanded role in the research and engineering design community, test and evaluation community, and ultimately certification for flight. Accounting for uncertainties in a formal manner is a tedious process. Moreover, the typical CFD practitioner is not likely to be familiar with formal UQ methods. These factors have prevented the adoption of UQ methods in the engineering design and development cycle. This presentation will outline a credible approach to UQ using Probability Boxes that is straightforward to apply, and can readily be automated using existing UQ tool sets such as the DAKOTA packaged developed at Sandia. The added expense incurred when moving away from a deterministic CFD process to a stochastic one that captures uncertainties to enable risk-informed decision making will be discussed, as well as effective ways to reduce the computational costs.

Uncertainty Quantification↗
DOE OSTI2025

Uncertainty quantification and optimization of precipitating hydrometeor parameters for winter precipitation in a cloud microphysics scheme

The precipitating hydrometeor parameters used in cloud microphysics schemes carry inherent uncertainties. The quantification of these uncertainties, together with parameter optimization, can significantly improve precipitation forecasts. This study investigates the effects of 13 parameters in the Weather Research and Forecasting (WRF) Double-Moment 6-class (WDM6) microphysics scheme, which define the hydrometeor characteristics such as fall velocity–diameter and mass–diameter relationships, as well as the shape parameter of the drop size distribution for precipitating particles such as rain, snow, and graupel on simulated winter precipitation. A comparison between the model's pre-defined parameters and observations from the International Collaborative Experiments for the PyeongChang 2018 Olympic and Paralympic winter games (ICE-POP 2018) field campaign reveals that the fall velocity–diameter relationship for rain, the mass–diameter relationships for snow and graupel, and the shape parameters for all precipitating particles in the WDM6 scheme deviate from the median values observed by the two-dimensional video disdrometer (2DVD). To quantify parameter sensitivities, a perturbed parameter ensemble (PPE) of 256 simulations was conducted within parameter ranges constrained by 2DVD observations for three winter precipitation cases. Bayesian optimization was then applied to identify parameter sets that minimized the root mean square error (RMSE) for each case, achieving reductions of up to 30.2 %. These results demonstrate that ensemble-based uncertainty quantification and parameter optimization can help identify key parameters and provide a pathway to improving precipitation simulation performance. In addition, measurement sites can be strategically selected based on regions that show high sensitivity to variations in hydrometeor characteristic parameters.

Bayesian optimization↗
NASA NTRSDate not supplied

Uncertainty Quantification of CFD Model Assumptions Against Sonic Boom Noise Prediction of a Commercial Supersonic Transport

This paper presents the results of uncertainty modeling of sonic boom noise generation from commercial supersonic transport considering the Spalart-Allmaras (SA) turbulence modeling parameters as well as Mach number, angle of attack and altitude. Sample generation and analysis for this uncertainty model was performed by UQPCE, which is a software package developed at the NASA Langley Research Center. To build the uncertainty model, 42 cases of sonic boom noise calculation were performed. Computation of the ground noise can be briefly summarized in two steps. First, the near field pressure waveforms are sampled from CFD calculation using the NASA Langley’s FUN3D solver. Second, this information is passed to an atmospheric propagation code, sBOOM, which solves an augmented Burger’s equation and simulates how the near field waveforms will change while passing through the atmosphere. The ground signature is further processed to obtain the perceived loudness, PLdB. Having a high spatial resolution near the shockwave in the CFD calculation is critical in sonic boom noise prediction. Because the variation in the input parameters for the current uncertainty quantification (UQ) study is likely to lead to change in shock location, angle and strength, the grid adaptation for shock capturing is independently applied for each condition. The final mesh used in the CFD calculation consists of approximately 420 million cells. The pressure signatures are sampled at three, four and five body lengths away from the aircraft to make sure the three dimensional effects around the aircraft are resolved. The results of the UQ analysis shows that within the three aleatory variables, the angle of attack had the most impact against ground noise, followed by the altitude and the Mach number. Between the two SA model parameters, the Kármán constant (𝜅) was significantly more important than the turbulent Prandtl number (𝜎), but these two parameters were only marginally significant in the overall prediction variance in ground noise. The UQ procedure explained in this paper can be widely applied to other model parameters.

Uncertainty Quantification↗
NASA NTRSDate not supplied

Uncertainty Quantification of CFD Model Assumptions Against Sonic Boom Noise Prediction of a Commercial Supersonic Transport

This paper presents the results of uncertainty modeling of sonic boom noise generation from commercial supersonic transport considering the Spalart-Allmaras (SA) turbulence modeling parameters as well as Mach number, angle of attack and altitude. Sample generation and analysis for this uncertainty model was performed by UQPCE, which is a software package developed at the NASA Langley Research Center. To build the uncertainty model, 42 cases of sonic boom noise calculation were performed. Computation of the ground noise can be briefly summarized in two steps. First, the near field pressure waveforms are sampled from CFD calculation using the NASA Langley’s FUN3D solver. Second, this information is passed to an atmospheric propagation code, sBOOM, which solves an augmented Burger’s equation and simulates how the near field waveforms will change while passing through the atmosphere. The ground signature is further processed to obtain the perceived loudness, PLdB. Having a high spatial resolution near the shock wave in the CFD calculation is critical in sonic boom noise prediction. Because the variation in the input parameters for the current uncertainty quantification (UQ) study is likely to lead to change in shock location, angle and strength, the grid adaptation for shock capturing is independently applied for each condition. The final mesh used in the CFD calculation consists of approximately 420 million cells. The pressure signatures are sampled at three, four and five body lengths away from the aircraft to make sure the three dimensional effects around the aircraft are resolved. The results of the UQ analysis shows that within the three aleatory variables, the angle of attack had the most impact against ground noise, followed by the altitude and the Mach number. Between the two SA model parameters, the Kármán constant (𝜅) was significantly more important than the turbulent Prandtl number (𝜎), but these two parameters were only marginally significant in the overall prediction variance in ground noise. The UQ procedure explained in this paper can be widely applied to other model parameters.

Uncertainty Quantifications↗
NASA NTRS2007

The Roles of Verification, Validation and Uncertainty Quantification in the NASA Standard for Models and Simulations

The National Aeronautics and Space Administration (NASA) recently issued an interim version of the Standard for Models and Simulations (M&S Standard) [1]. The action to develop the M&S Standard was identified in an internal assessment [2] of agency-wide changes needed in the wake of the Columbia Accident [3]. The primary goal of this standard is to ensure that the credibility of M&S results is properly conveyed to those making decisions affecting human safety or mission success criteria. The secondary goal is to assure that the credibility of the results from models and simulations meets the project requirements (for credibility). This presentation explains the motivation and key aspects of the M&S Standard, with a special focus on the requirements for verification, validation and uncertainty quantification. Some pilot applications of this standard to computational fluid dynamics applications will be provided as illustrations. The authors of this paper are the members of the team that developed the initial three drafts of the standard, the last of which benefited from extensive comments from most of the NASA Centers. The current version (number 4) incorporates modifications made by a team representing 9 of the 10 NASA Centers. A permanent version of the M&S Standard is expected by December 2007. The scope of the M&S Standard is confined to those uses of M&S that support program and project decisions that may affect human safety or mission success criteria. Such decisions occur, in decreasing order of importance, in the operations, the test & evaluation, and the design & analysis phases. Requirements are placed on (1) program and project management, (2) models, (3) simulations and analyses, (4) verification, validation and uncertainty quantification (VV&UQ), (5) recommended practices, (6) training, (7) credibility assessment, and (8) reporting results to decision makers. A key component of (7) and (8) is the use of a Credibility Assessment Scale, some of the details of which were developed in consultation with William Oberkampf, David Peercy and Timothy Trocano of Sandia National Laboratories. The focus of most of the requirements, including those for VV&UQ, is on the documentation of what was done and the reporting, using the Credibility Assessment Scale, of the level of rigor that was followed. The aspects of one option for the Credibilty Assessment Scale are (1) code verification, (2) solution verification, (3) validation, (4) predictive capability, (5) technical review, (6) process control, and (7) operator and analyst qualification.

Zang, Thomas A.↗