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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Isokinetic TWC Evaporator Probe: Calculations and Systemic Uncertainty Analysis

A new Isokinetic Total Water Content Evaporator (IKP2) was downsized from a prototype instrument, specifically to make airborne measurements of hydrometeor total water content (TWC) in deep tropical convective clouds to assess the new ice crystal Appendix D icing envelope. The probe underwent numerous laboratory and wind tunnel investigations to ensure reliable operation under the difficult high altitude/speed/TWC conditions under which other TWC instruments have been known to either fail, or have unknown performance characteristics and the results are presented in a companion paper (Ref. 1). This paper presents the equations used to determine the total water content (TWC) of the sampled atmosphere from the values measured by the IKP2 or necessary ancillary data from other instruments. The uncertainty in the final TWC is determined by propagating the uncertainty in the measured values through the calculations to the final result. Two techniques were used and the results compared. The first is a typical analytical method of propagating uncertainty and the second performs a Monte Carlo simulation. The results are very similar with differences that are insignificant for practical purposes. The uncertainty is between 2 and 3 percent at most practical operating conditions. The capture efficiency of the IKP2 was also examined based on a computational fluid dynamic simulation of the original IKP and scaled down to the IKP2. Particles above 24 micrometers were found to have a capture efficiency greater than 99 percent at all operating conditions.

Meteorological Instrument↗
NASA NTRS2016

Isokinetic TWC Evaporator Probe: Calculations and Systemic Uncertainty Analysis

A new Isokinetic Total Water Content Evaporator (IKP2) was downsized from a prototype instrument, specifically to make airborne measurements of hydrometeor total water content (TWC) in deep tropical convective clouds to assess the new ice crystal Appendix D icing envelope. The probe underwent numerous laboratory and wind tunnel investigations to ensure reliable operation under the difficult high altitude/speed/TWC conditions under which other TWC instruments have been known to either fail, or have unknown performance characteristics and the results are presented in a companion paper. This paper presents the equations used to determine the total water content (TWC) of the sampled atmosphere from the values measured by the IKP2 or necessary ancillary data from other instruments. The uncertainty in the final TWC is determined by propagating the uncertainty in the measured values through the calculations to the final result. Two techniques were used and the results compared. The first is a typical analytical method of propagating uncertainty and the second performs a Monte Carlo simulation. The results are very similar with differences that are insignificant for practical purposes. The uncertainty is between 2 percent and 3 percent at most practical operating conditions. The capture efficiency of the IKP2 was also examined based on a computational fluid dynamic simulation of the original IKP and scaled down to the IKP2. Particles above 24 microns were found to have a capture efficiency greater than 99 percent at all operating conditions.

Aircraft Icing↗
NASA NTRS2017

Uncertainty Aware Structural Topology Optimization Via a Stochastic Reduced Order Model Approach

This work presents a stochastic reduced order modeling strategy for the quantification and propagation of uncertainties in topology optimization. Uncertainty aware optimization problems can be computationally complex due to the substantial number of model evaluations that are necessary to accurately quantify and propagate uncertainties. This computational complexity is greatly magnified if a high-fidelity, physics-based numerical model is used for the topology optimization calculations. Stochastic reduced order model (SROM) methods are applied here to effectively 1) alleviate the prohibitive computational cost associated with an uncertainty aware topology optimization problem; and 2) quantify and propagate the inherent uncertainties due to design imperfections. A generic SROM framework that transforms the uncertainty aware, stochastic topology optimization problem into a deterministic optimization problem that relies only on independent calls to a deterministic numerical model is presented. This approach facilitates the use of existing optimization and modeling tools to accurately solve the uncertainty aware topology optimization problems in a fraction of the computational demand required by Monte Carlo methods. Finally, an example in structural topology optimization is presented to demonstrate the effectiveness of the proposed uncertainty aware structural topology optimization approach.

Aguilo, Miguel A.↗
NASA NTRS2007

Propagation of Computational Uncertainty Using the Modern Design of Experiments

This paper describes the use of formally designed experiments to aid in the error analysis of a computational experiment. A method is described by which the underlying code is approximated with relatively low-order polynomial graduating functions represented by truncated Taylor series approximations to the true underlying response function. A resource-minimal approach is outlined by which such graduating functions can be estimated from a minimum number of case runs of the underlying computational code. Certain practical considerations are discussed, including ways and means of coping with high-order response functions. The distributional properties of prediction residuals are presented and discussed. A practical method is presented for quantifying that component of the prediction uncertainty of a computational code that can be attributed to imperfect knowledge of independent variable levels. This method is illustrated with a recent assessment of uncertainty in computational estimates of Space Shuttle thermal and structural reentry loads attributable to ice and foam debris impact on ascent.

DeLoach, Richard↗
NASA NTRS2002

Effect of Random Geometric Uncertainty on the Computational Design of a 3-D Flexible Wing

The effect of geometric uncertainty due to statistically independent, random, normally distributed shape parameters is demonstrated in the computational design of a 3-D flexible wing. A first-order second-moment statistical approximation method is used to propagate the assumed input uncertainty through coupled Euler CFD aerodynamic / finite element structural codes for both analysis and sensitivity analysis. First-order sensitivity derivatives obtained by automatic differentiation are used in the input uncertainty propagation. These propagated uncertainties are then used to perform a robust design of a simple 3-D flexible wing at supercritical flow conditions. The effect of the random input uncertainties is shown by comparison with conventional deterministic design results. Sample results are shown for wing planform, airfoil section, and structural sizing variables.

Gumbert, C. R.↗
DOE OSTI2022

Uncertainty Quantification Framework for Predicting Material Response with Large Number of Parameters: Application to Creep Prediction in Ferritic-Martensitic Steels Using Combined Crystal Plasticity and Grain Boundary Models

This paper presents an uncertainty quantification (UQ) framework for the physics-based model prediction of material response with a large number of parameters. The application problem presented in this work is that of predicting creep in Grade 91 steel at 600°C. The material response is defined with a physically based microstructural model with constitutive equations emulating several observed phenomena in Grade 91 and embodied into an explicit geometry mesoscale finite element model for prior austenite grains and grain boundaries. Creep within the grains and in grain boundaries are represented by crystal plasticity for dislocation motion and a physics-based model for cavity growth and nucleation, respectively. The creep behavior of this material is influenced by several parameters, some of which have a wide range of variation based on experimental data. UQ combined with microstructural modeling can discover the core microstructural causes of experimental variability, leading to improved materials with lower variability in critical long-term material properties. In this study, we investigate the model's uncertainty to identify material properties that may be modified during production to increase creep life and analyze different components of the crystal plasticity model for improvements. For this purpose, a quantity of interest is defined as time to minimum creep rate, which correlates well to the creep failure of the material. A deep neural network model was trained and validated to be used as a surrogate for the finite element model. Then, a variance-based sensitivity analysis is performed on the surrogate model to find the Sobol indices of the input parameters in respect to the output quantity of interest. The Sobol indices are used to reduce the dimensionality of the model. Generalized polynomial chaos expansion is used on the reduced basis models to propagate the uncertainty from the input parameters to the quantity of interest using the deep neural network surrogate model. These results are benchmarked against uncertainty propagation using Monte Carlo simulations. In conclusion, the UQ performed through the reduced basis model captures almost all the uncertainty in the model with significantly fewer simulations, making it possible to perform the UQ directly via simulations with the finite element model rather than surrogate machine-learned models.

36 MATERIALS SCIENCE↗
DOE OSTI2020

UQ Toolkit v 2.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterizaton and propagation of uncertainties in computational models. For the characterization of uncertainties, Bayesian inference tools are provided to infer uncertain model parameters, as well as Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, and also Karhunen-Loève expansions for representing stochastic processes. Uncertain parameters are treated as random variables and represented with Polynomial Chaos expansions (PCEs). The library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Safta, Cosmin↗
DOE OSTI2025

Uncertainty quantification for misspecified machine learned interatomic potentials

The use of high-dimensional regression techniques from machine learning has significantly improved the quantitative accuracy of interatomic potentials. Atomic simulations can now plausibly target quantitative predictions in a variety of settings, which has brought renewed interest in robust means to quantify uncertainties. In many practical settings where model complexity is constrained (e.g., due to performance considerations), misspecification — the inability of any one choice of model parameters to exactly match all training data — is a key contributor to errors that is often disregarded. Here, we employ a recent misspecification-aware regression technique to quantify parameter uncertainties, which is then propagated to a broad range of phase and defect properties in tungsten. The propagation is performed through both brute-force resampling and implicit Taylor expansion. The propagated misspecification uncertainties robustly quantify and bound errors on a broad range of material properties. We demonstrate application to recent foundational machine learning interatomic potentials, accurately predicting and bounding errors in MACE-MPA-0 energy predictions across the diverse materials project database.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Space-Time Data fusion for Remote Sensing Applications

NASA has been collecting massive amounts of remote sensing data about Earth's systems for more than a decade. Missions are selected to be complementary in quantities measured, retrieval techniques, and sampling characteristics, so these datasets are highly synergistic. To fully exploit this, a rigorous methodology for combining data with heterogeneous sampling characteristics is required. For scientific purposes, the methodology must also provide quantitative measures of uncertainty that propagate input-data uncertainty appropriately. We view this as a statistical inference problem. The true but notdirectly- observed quantities form a vector-valued field continuous in space and time. Our goal is to infer those true values or some function of them, and provide to uncertainty quantification for those inferences. We use a spatiotemporal statistical model that relates the unobserved quantities of interest at point-level to the spatially aggregated, observed data. We describe and illustrate our method using CO2 data from two NASA data sets.

carbon dioxide↗
DOE OSTI2026

Unbinned extraction of $γ$ from $B\to DK$ with normalizing flows

We introduce an unbinned method for extracting the CKM angle $γ$ from the decay chain $B^\pm \to (D \to K_S π^+ π^-) K^\pm$ using normalizing flows (NFs). The NFs, trained on $D$ decay data, learn a faithful continuous representation of the amplitude and strong phase variation over the $D\to K_Sπ^+π^-$ Dalitz plot whose fidelity improves with increased data sample sizes. With this input, the $B$ decay data can be used to extract the parameters $r_B$, $δ_B$, and $γ$. We test the method on Monte Carlo generated data, where it successfully recovers the injected value of $γ$ within uncertainties. The present implementation propagates statistical uncertainties from finite training data via an ensemble of independently trained flows, and does not attempt to capture the effects of systematic experimental errors. We explore two versions of the method that differ in how the trigonometric constraint on phase variation is encoded, and comment on the possible extension to Bayesian NFs, which would provide direct uncertainty estimates on the learned densities without requiring ensemble training.

Grossman, Yuval [Cornell U., LEPP]↗
DOE OSTI2024

Uncertainty Quantification via Stable Distribution Propagation

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

Artificial Intelligence (cs.AI)↗
DOE OSTI2021

A minimally invasive, efficient method for propagation of full-field uncertainty in solid dynamics

In this work, we present a minimally invasive method for forward propagation of material property uncertainty to full-field quantities of interest in solid dynamics. Full-field uncertainty quantification enables the design of complex systems where quantities of interest, such as failure points, are not known a priori. The method, motivated by the well-known probability density function (PDF) propagation method of turbulence modeling, uses an ensemble of solutions to provide the joint PDF of desired quantities at every point in the domain. A small subset of the ensemble is computed exactly, and the remainder of the samples are computed with approximation of the evolution equations based on those exact solutions. Although the proposed method has commonalities with traditional interpolatory stochastic collocation methods applied directly to quantities of interest, it is distinct and exploits the parameter dependence and smoothness of the driving term of the evolution equations. The implementation is model independent, storage and communication efficient, and straightforward. We demonstrate its efficiency, accuracy, scaling with dimension of the parameter space, and convergence in distribution with two problems: a quasi-one-dimensional bar impact, and a two material notched plate impact. For the bar impact problem, we provide an analytical solution to PDF of the solution fields for method validation. With the notched plate problem, we also demonstrate good parallel efficiency and scaling of the method.

42 ENGINEERING↗
NASA NTRS2022

Estimating pixel-level uncertainty in ocean color retrievals from MODIS

The spectral distribution of marine remote sensing reflectance, R(rs), is the fundamental measurement of ocean color science, from which a host of bio-optical and biogeochemical properties of the water column can be derived. Estimation of uncertainty in these derived properties is thus dependent on knowledge of the uncertainty in satellite-retrieved R(rs) (u(c)(R(rs))) at each pixel. Uncertainty in R(rs), in turn, is dependent on the propagation of various uncertainty sources through the R(rs) retrieval process, namely the atmospheric correction (AC). A derivative-based method for uncertainty propagation is established here to calculate the pixel-level uncertainty in R(rs), as retrieved using NASA’s multiple-scattering epsilon (MSEPS) AC algorithm and verified using Monte Carlo (MC) analysis. The approach is then applied to measurements from the Moderate Resolution Imaging Spectroradiometer (MODIS) on the Aqua satellite, with uncertainty sources including instrument random noise, instrument systematic uncertainty, and forward model uncertainty. The uc(Rrs) is verified by comparison with statistical analysis of coincident retrievals from MODIS and in situ Rrs measurements, and our approach performs well in most cases. Based on analysis of an example 8-day global products, we also show that relative uncertainty in R(rs) at blue bands has a similar spatial pattern to the derived concentration of the phytoplankton pigment chlorophyll-a (chl-a), and around 7.3%, 17.0%, and 35.2% of all clear water pixels (chl-a ≤ 0.1 mg/cu.m) with valid u(c)(R(rs)) have a relative uncertainty ≤ 5% at bands 412 nm, 443 nm, and 488 nm respectively, which is a common goal of ocean color retrievals for clear waters. While the analysis shows that u(c)(R(rs)) calculated from our derivative-based method is reasonable, some issues need further investigation, including improved knowledge of forward model uncertainty and systematic uncertainty in instrument calibration.

Pixel-level uncertainty↗
DOE OSTI2025

Demonstration of TOFFEE: A Response Uncertainty Quantification Tool

A key characteristic in neutron transport is nuclear data. Cross-section uncertainty is not used in MCNP6.3 to propagate response uncertainty without external analysis. Here, the TOol For Fast Error Estimation (TOFFEE) is a Python-based code developed to automate the propagation of cross-section uncertainty for MCNP evaluations. TOFFEE implements the sandwich rule to calculate the uncertainty from cross sections with sensitivity coefficients from MCNP6.3 and ENDF/B covariance data. In this paper, TOFFEE has been tested with benchmark experiments, and it has been compared to the uncertainty quantification capabilities of Sampler and TSUNAMI, within SCALE, to verify the application’s capabilities.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2013

Uncertainties in Atomic Data and Their Propagation Through Spectral Models. I.

We present a method for computing uncertainties in spectral models, i.e., level populations, line emissivities, and emission line ratios, based upon the propagation of uncertainties originating from atomic data.We provide analytic expressions, in the form of linear sets of algebraic equations, for the coupled uncertainties among all levels. These equations can be solved efficiently for any set of physical conditions and uncertainties in the atomic data. We illustrate our method applied to spectral models of Oiii and Fe ii and discuss the impact of the uncertainties on atomic systems under different physical conditions. As to intrinsic uncertainties in theoretical atomic data, we propose that these uncertainties can be estimated from the dispersion in the results from various independent calculations. This technique provides excellent results for the uncertainties in A-values of forbidden transitions in [Fe ii]. Key words: atomic data - atomic processes - line: formation - methods: data analysis - molecular data - molecular processes - techniques: spectroscopic

linear sets↗
DOE OSTI2021

Sequential Learning of Active Subspaces

This study shows that in recent years, active subspace methods (ASMs) have become a popular means of performing subspace sensitivity analysis on black-box functions. Naively applied, however, ASMs require gradient evaluations of the target function. In the event of noisy, expensive, or stochastic simulators, evaluating gradients via finite differencing may be infeasible. In such cases, often a surrogate model is employed, on which finite differencing is performed. When the surrogate model is a Gaussian process (GP), we show that the ASM estimator is available in closed form, rendering the finite-difference approximation unnecessary. We use our closed-form solution to develop acquisition functions focused on sequential learning tailored to sensitivity analysis on top of ASMs. We also show that the traditional ASM estimator may be viewed as a method of moments estimator for a certain class of GPs. We demonstrate how uncertainty on GP hyperparameters may be propagated to uncertainty on the sensitivity analysis, allowing model-based confidence intervals on the active subspace. Our methodological developments are illustrated on several examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

maranasgroup/uncFBA

In the repository are example scripts that perform uncertainty injection and propagation to flux balance analysis with outputs for a small sample size (for demonstration purpose only). For proper analysis, user should download the scripts and run for a large sample size (e.g., 10,000 samples). If you use the scripts, please cite the following Metabolic Engineering article: “Quantifying the propagation of parametric uncertainty on flux balance analysis” (https://doi.org/10.1016/j.ymben.2021.10.012) There are two subdirectories: /uncFBA/uncBiom: injection of normally distributed noise to biomass precursor coeffcients and ATP maintenance (growth-associated ATP maintenance (GAM) and non-growth associated ATP maintenance (NGAM)) /uncFBA/uncRHS: departure from steady-state by adding noise drawn from normal distribution to the RHS terms of mass balance constraints

Dinh, Hoang↗