Search NASA⌕ Search

SEARCH · Search NASA

Results for “Uncertainty Quantification and Sensitivity Analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7

HFBTHO-AD: Differentiation of a nuclear energy density functional code

The HFBTHO code implements a nuclear energy density functional solver to model the structure of atomic nuclei. HFBTHO has previously been used to calibrate energy functionals and perform sensitivity analysis by using derivative-free methods. To enable derivative-based optimization and uncertainty quantification approaches, we must compute the derivatives of HFBTHO outputs with respect to the parameters of the energy functional, which are a subset of all input parameters of the code. Here, we use the algorithmic/automatic differentiation (AD) tool Tapenade to differentiate HFBTHO. We compare the derivatives obtained using AD against finite-difference approximation and examine the performance of the derivative computation.

Algorithmic differentiation↗

Global Sensitivity Analysis Using the Ultra‐Low Resolution Energy Exascale Earth System Model

Abstract For decades, Arctic temperatures have increased twice as fast as average global temperatures. As a first step toward quantifying parametric uncertainty in Arctic climate, we performed a variance‐based global sensitivity analysis (GSA) using a fully coupled, ultra‐low resolution (ULR) configuration of version 1 of the U.S. Department of Energy's Energy Exascale Earth System Model (E3SMv1). Specifically, we quantified the sensitivity of six quantities of interests (QOIs), which characterize changes in Arctic climate over a 75 year period, to uncertainties in nine model parameters spanning the sea ice, atmosphere, and ocean components of E3SMv1. Sensitivity indices for each QOI were computed with a Gaussian process emulator using 139 random realizations of the random parameters and fixed preindustrial forcing. Uncertainties in the atmospheric parameters in the Cloud Layers Unified by Binormals (CLUBB) scheme were found to have the most impact on sea ice status and the larger Arctic climate. Our results demonstrate the importance of conducting sensitivity analyses with fully coupled climate models. The ULR configuration makes such studies computationally feasible today due to its low computational cost. When advances in computational power and modeling algorithms enable the tractable use of higher‐resolution models, our results will provide a baseline that can quantify the impact of model resolution on the accuracy of sensitivity indices. Moreover, the confidence intervals provided by our study, which we used to quantify the impact of the number of model evaluations on the accuracy of sensitivity estimates, have the potential to inform the computational resources needed for future sensitivity studies.

54 ENVIRONMENTAL SCIENCES↗

Elastic Bayesian Model Calibration

Functional data are ubiquitous in scientific modeling. For instance, quantities of interest are modeled as functions of time, space, energy, density, etc. Uncertainty quantification methods for computer models with functional response have resulted in tools for emulation, sensitivity analysis, and calibration that are widely used. However, many of these tools do not perform well when the computer model’s parameters control both the amplitude variation of the functional output and its alignment (or phase variation). This paper introduces a framework for Bayesian model calibration when the model responses are misaligned functional data. The approach generates two types of data out of the misaligned functional responses: (1) aligned functions so that the amplitude variation is isolated and (2) warping functions that isolate the phase variation. These two types of data are created for the computer simulation data (both of which may be emulated) and the experimental data. The calibration approach uses both types so that it seeks to match both the amplitude and phase of the experimental data. The framework is careful to respect constraints that arise, especially when modeling phase variation, and is framed in a way that it can be done with readily available calibration software. In conclusion, we demonstrate the techniques on two simulated data examples and on two dynamic material science problems: a strength model calibration using flyer plate experiments and an equation of state model calibration using experiments performed on the Sandia National Laboratories’ Z-machine.

97 MATHEMATICS AND COMPUTING↗

HELPR Version 1.1.0 User Guide

Hydrogen Extremely Low Probability of Rupture (HELPR) is a modular probabilistic fracture mechanics modeling platform developed to assess structural integrity of pipelines for transmission and distribution of hydrogen. HELPR couples fatigue and fracture engineering models with probabilistic methods to generate fast predictions and enables quantification of prediction uncertainty and sensitivity. This user manual serves as a guide through the various analysis features HELPR contains.

08 HYDROGEN↗

Seasonal variability of wake impacts on US mid-Atlantic offshore wind plant power production

Abstract. The mid-Atlantic will experience rapid wind plant development due to its promising wind resource located near large population centers. Wind turbines and wind plants create wakes, or regions of reduced wind speed, that may negatively affect downwind turbines and plants. We evaluate wake variability and annual energy production with the first yearlong modeling assessment using the Weather Research and Forecasting model, deploying 12 MW turbines across the domain at a density of 3.14 MW km−2, matching the planned density of 3 MW km−2. Using a series of simulations with no wind plants, one wind plant, and complete build-out of lease areas, we calculate wake effects and distinguish the effect of wakes generated internally within one plant from those generated externally between plants. We also provide a first step towards uncertainty quantification by testing the amount of added turbulence kinetic energy (TKE) by 0 % and 100 %. We provide a sensitivity analysis by additionally comparing 25 % and 50 % for a short case study period. The strongest wakes, propagating 55 km, occur in summertime stable stratification, just when New England's grid demand peaks in summer. The seasonal variability of wakes in this offshore region is much stronger than the diurnal variability of wakes. Overall, yearlong simulated wake impacts reduce power output by a range between 38.2 % and 34.1 % (for 0 %–100 % added TKE). Internal wakes cause greater yearlong power losses, from 29.2 % to 25.7 %, compared to external wakes, from 14.7 % to 13.4 %. The overall impact is different from the linear sum of internal wakes and external wakes due to non-linear processes. Additional simulations quantify wake uncertainty by modifying the added amount of turbulent kinetic energy from wind turbines, introducing power output variability of 3.8 %. Finally, we compare annual energy production to New England grid demand and find that the lease areas can supply 58.8 % to 61.2 % of annual load. We note that the results of this assessment are not intended to make nor are they suitable to make commercial judgments about specific wind projects.

17 WIND ENERGY↗

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

Abstract Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic mechanisms because it can identify the greatest sources of model output error. Owing to the very nonlinear relationship between kinetic and thermodynamic parameters and computed concentrations, model predictions can be extremely sensitive to uncertainties in some parameters while uncertainties in other parameters can be irrelevant. Error propagation becomes even more convoluted in automatically generated kinetic models, where input uncertainties are correlated through kinetic rate rules and thermodynamic group values. Local and global uncertainty analyses were implemented and used to analyze error propagation in Reaction Mechanism Generator (RMG), an open‐source software for generating kinetic models. A framework for automatically assigning parameter uncertainties to estimated thermodynamics and kinetics was created, enabling tracking of correlated uncertainties. Local first‐order uncertainty propagation was implemented using sensitivities computed natively within RMG. Global uncertainty analysis was implemented using adaptive Smolyak pseudospectral approximations as implemented in the MIT Uncertainty Quantification Library to efficiently compute and construct polynomial chaos expansions to approximate the dependence of outputs on a subset of uncertain inputs. Cantera was used as a backend for simulating the reactor system in the global analysis. Analyses were performed for a phenyldodecane pyrolysis model. Local and global methods demonstrated similar trends; however, many uncertainties were significantly overestimated by the local analysis. Both local and global analyses show that correlated uncertainties based on kinetic rate rules and thermochemical groups drastically reduce a model's degrees of freedom and have a large impact on the determination of the most influential input parameters. These results highlight the necessity of incorporating uncertainty analysis in the mechanism generation workflow.

Gao, Connie W.↗

Fracture Analysis of Cohesive Zone Models for Modeling Residual Stress Induced Delamination in Composite Structures

A fracture study of coupon-scale composite cylinders with embedded defects was conducted with an objective to assess and validate a modeling approach using two available cohesive material models. The study included experimental and simulation evaluations of initiation of crack growth and progression. Interrupted thermal experiments used acoustic emissions monitoring to identify the onset of crack progression during each cooling interval and ultrasonic scanning provided images of defect growth. Verification, validation, and uncertainty quantification (VVUQ) processes were performed in the assessment of the simulation predicted temperature at which crack propagation begins (quantity of interest). The Sobol sensitivity analysis identified the hoop direction elastic modulus in the carbon fiber reinforced polymer (CFRP) plies as the most influential parameter for simulations using both cohesive models, accounting for at least 70% of the variation in the temperature at crack propagation. The UQ temperature range for the Tvergaard-Hutchinson model was higher (more conservative) than the experimental acoustic measurement indicators of crack progression, while the temperature range for the Thouless-Parmigiani model enveloped the experimental data points for the primary defect size of 0.75 x 1 in. The simulations could not capture the stable crack growth indicated in the experiments. This is likely due to the models’ inability to represent anisotropic fracture toughness attributed to the structure of the orthotropic fiber weave in a woven composite laminate.

42 ENGINEERING↗

Nondestructive measurements of residual 235 U mass of Israeli Research Reactor-1 fuel using the Advanced Experimental Fuel Counter

In 2018, a measurement campaign took place with participants from Los Alamos National Laboratory (LANL), the Nuclear Research Centre-Negev (NRCN) and Soreq Nuclear Research Center (SNRC) at the Israeli Research Reactor-1 (IRR-1) in which 14 of the reactor’s used fuel assemblies (FAs) with varied amount of depletion were measured with the nondestructive assay instrument Advanced Experimental Fuel Counter (AEFC). Designed for safeguards purposes, the AEFC measures both neutrons emitted from the FA (passive neutrons) and fission neutrons induced by an external neutron source (in this experiment, 252 Cf). Signals recorded with the AEFC include total neutron count rates (Singles), time-correlated neutron count rates (Doubles), and total gamma-ray count rates. The 235 U content of the FAs was previously assessed by two independent methods: (1) measurement of the transparency of the FA to low-energy gamma rays from an activated rhenium source (rhenium gamma transmission, or the RGT method) and (2) calculation of the 30-year burnup history of the core using detailed three-dimensional Monte-Carlo core depletion calculations. The results from the FAs that had been measured via the RGT method were used to construct the calibration curves, which translate the AEFC count rates to 235 U mass. Then, the calibration was evaluated using AEFC measurements of six additional FAs that were not measured via the RGT method. From the results, it was determined the Doubles calibration curve was more reliable than that of the Singles and follows a simple second-order polynomial fit for the whole range of residual 235 U mass content, albeit with larger statistical uncertainty. Detailed uncertainties quantification was conducted for both the AEFC Singles and Doubles. This includes the analysis of statistical uncertainties, calibration uncertainty, and random uncertainties due to the sensitivity of the AEFC to several sources of uncertainty, namely the FA position, FA orientation, interrogation source position, and ambient pool temperature. Finally, an overall total uncertainty of 6 g of 235 U is estimated for the Singles and Doubles, which is mainly due to calibration uncertainty (for the Singles) and statistical uncertainty (for the Doubles), and which constitutes 3%–6% of the 235 U total mass in the FAs, depending on their level of depletion.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effect of void positioning on the detonation sensitivity of a heterogeneous energetic material

We show although it is well-established that voids profoundly influence the initiation and reaction behaviors of heterogeneous energetic materials such as polymer-bonded explosives (PBX) and propellants, there has been little study of how void location in different constituents in the microstructures of such materials affect the macroscale behavior. Here, we use three-dimensional (3D) mesoscale simulations to study how void placement within the reactive grains versus the polymer binder influences the shock-to-detonation transition (SDT) in a polymer-bonded explosive. The material studied here has a microstructure comprised of 75% PETN (pentaerythritol tetranitrate) grains and 25% HTPB (hydroxyl-terminated polybutadiene) polymer binder by volume. Porosities up to 10% in the form of spherical voids distributed in both the grains and polymer are considered. An Arrhenius reactive burn relation is used to model the chemical kinetics of the PETN grains under shock loading, thereby resolving the heterogeneous detonation behavior of the PBX. The influence of void location on the shock initiation sensitivity of the material is quantitatively ranked by comparing the predicted run distance to detonation (RDD) for each sample. The analysis includes inherent quantification of uncertainties arising from the stochastic variations in the microstructure morphologies and void distributions by using statistically equivalent microstructure sample sets (SEMSS), leading to probabilistic formulations for the RDD as a function of shock pressure. The calculations reveal that the location of voids in the composite microstructure significantly affects the RDD. Specifically, voids exclusively within the grains cause the PBX to be more sensitive (having shorter RDD) than voids in the polymer binder. Unique probabilistic relationships are derived to map the probability of observing RDD for each void location material case, allowing for prediction of initiation behavior anywhere in the shock pressure – RDD space. These findings agree with trends reported in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

UQTk User Manual (V.3.1.0)

The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.1.0 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

97 MATHEMATICS AND COMPUTING↗

UQTk Version 3.1.1 User Manual

The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.1.1 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

97 MATHEMATICS AND COMPUTING↗

UQTk Version 3.1.2 User Manual

The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.1.2 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

97 MATHEMATICS AND COMPUTING↗

Development of SCALE Tools for Sensitivity and Uncertainty Analysis Methodology Implementation (TSUNAMI) from SCALE 5 through SCALE 6.2

This review paper provides an abbreviated historical review of the development of the TSUNAMI capabilities in SCALE, beginning with the first initiatives, to provide new insights into validation, uncertainty quantification, and safety assessment. The tools of TSUNAMI have evolved substantially over two decades to meet the growing application analysis and experiment design needs. Even more advancements are emerging as the next generation of innovators continue to use and develop these tools.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

How does uncertainty of soil organic carbon stock affect the calculation of carbon budgets and soil carbon credits for croplands in the U.S. Midwest?

Cropland carbon budget depicts the amount of carbon flowing in and out of agroecosystems and the changes in carbon stocks of soil and living biomass during the same period. Soil carbon credit is the additional change in soil carbon stock under certain farming practices compared with the business-as-usual practices. Accurately calculating cropland carbon budget and soil carbon credit is critical to assessing climate change mitigation potential in agroecosystems. The calculation of cropland carbon budget and soil carbon credit is sensitive to local soil and climatic conditions, especially initial soil organic carbon (SOC) stock, which is determined by both SOC concentration (SOC%) and bulk density (Bulk_Density). SOC stock data are either from soil sampling or gridded public survey data. In agroecosystem models, SOC stock data are a key model input for quantifying cropland carbon budget and soil carbon credit. However, various types and degrees of uncertainties exist in SOC stock datasets, which propagate to the quantification of SOC stock change. In particular, a large discrepancy is found in two widely used SOC stock datasets — Rapid Carbon Assessment dataset (RaCA) and Gridded Soil Survey Geographic Database (gSSURGO) — in the U.S. Midwest, with a relative difference (quantified using Normalized Root Mean Square Error, NRMSE) of 48.0% for 0–30 cm SOC stock between the two datasets. It remains largely unclear how uncertainty in SOC stocks affects the calculation of cropland carbon budget and soil carbon credit. To address this question, we used a well-validated process-based agroecosystem model, ecosys, to assess the impacts of SOC stock uncertainty on carbon budget and soil carbon credit calculation in the U.S. Midwestern corn-soybean rotation systems. Our results reveal the following findings: (1) A sizable discrepancy exists in simulated cropland carbon budget between using gSSURGO and using RaCA for their SOC% and Bulk_Density as model inputs, with a Pearson correlation coefficient (r) of only 0.4 for simulated change of SOC stock (ΔSOC) using these two different soil datasets. (2) Simulated cropland carbon budget components were more sensitive to initial SOC% than to Bulk_Density. For example, the upper and lower quartiles of multi-year averaged ΔSOC were –29.8 and 4.8 gC/m 2 /year for the selected counties respectively, with an uncertainty of 13.7 and 0.7 gC/m 2 /year induced by uncertainties in initial SOC% and Bulk_Density, respectively. (3) Both simulated ΔSOC and its uncertainty were negatively correlated with initial SOC%, whereas ΔSOC was negatively correlated with air temperature, and ΔSOC uncertainty was positively correlated with air temperature. (4) The uncertainty of calculated soil carbon credits was much smaller compared with the uncertainty of calculated absolute carbon budgets assuming the same SOC stock uncertainty level in the inputs. Specifically, in our assessment comparing planting cover crops vs no cover crop, the uncertainty of calculated soil carbon credits induced by initial SOC% uncertainty was less than 4% (relative to the quantified value of the soil carbon credits) for 90% of the cases. Our analysis highlights that high accuracy measurement of SOC% as inputs is needed for the calculation of cropland carbon budgets; however, soil carbon credit quantification is much less sensitive to the initial SOC% inputs, and the current publicly available soil datasets (e.g., gSSURGO) are largely suitable for the calculation of soil

54 ENVIRONMENTAL SCIENCES↗

Measuring the β-decay Properties of Neutron-rich Exotic Pm, Sm, Eu, and Gd Isotopes to Constrain the Nucleosynthesis Yields in the Rare-earth Region

Abstract The β -delayed neutron-emission probabilities of 28 exotic neutron-rich isotopes of Pm, Sm, Eu, and Gd were measured for the first time at RIKEN Nishina Center using the Advanced Implantation Detector Array (AIDA) and the BRIKEN neutron detector array. The existing β -decay half-life ( T 1/2 ) database was significantly increased toward more neutron-rich isotopes, and uncertainties for previously measured values were decreased. The new data not only constrain the theoretical predictions of half-lives and β -delayed neutron-emission probabilities, but also allow for probing the mechanisms of formation of the high-mass wing of the rare-earth peak located at A ≈ 160 in the r -process abundance distribution through astrophysical reaction network calculations. An uncertainty quantification of the calculated abundance patterns with the new data shows a reduction of the uncertainty in the rare-earth peak region. The newly introduced variance-based sensitivity analysis method offers valuable insight into the influence of important nuclear physics inputs on the calculated abundance patterns. The analysis has identified the half-lives of 168 Sm and of several gadolinium isotopes as some of the key variables among the current experimental data to understand the remaining abundance uncertainty at A = 167–172.

79 ASTRONOMY AND ASTROPHYSICS↗

Uncertainty quantification for competing failure mechanisms in unidirectionally reinforced carbon–carbon composites

Microstructure-informed finite element models play a key role in the carbon–carbon composite design process. Variability in manufacturing process parameters and experimental limitations introduce model parameter uncertainty. This study quantifies the effect of model parameter uncertainty on transverse tensile fracture behavior and proposes a methodology to predict the failure mode based on competing microscale damage mechanisms. Finite element simulations incorporate fiber–matrix interface debonding with cohesive zones and matrix damage with a smeared crack band approach in a unidirectional carbon–carbon composite. Results from a variance-based global sensitivity analysis identifies interfacial and matrix damage parameters as the primary source of variability in fracture behavior. Sobol’ indices indicate that matrix and cohesive zone strengths contribute 94% of the variance in the effective ultimate stress. A local analysis elucidates the relationship between these constituent strength parameters and failure mode by estimating the probability of cohesive, matrix, and mixed-mode dominated failure. Based on the results for 4000 simulations, 93% exhibit mixed-mode or interfacial dominated failure, which underscores the crucial role of fiber–matrix interface debonding in the transverse tensile failure of carbon–carbon composites. These uncertainty quantification results facilitate more efficient model calibration and provide a framework for microstructure-informed failure predictions in the face of manufacturing-induced uncertainty.

36 MATERIALS SCIENCE↗