Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “accurate quantification”

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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Implementation of disruptive designs for gas turbine components using direct energy deposition additive manufacturing

This research aims to develop a framework for establishing the correlation between in-situ monitoring data, process parameters, and microstructure evolution in blown-powder laser-directed energy deposition (DED) additive manufacturing (AM). To achieve this, a comprehensive manufacturing framework has been developed, spanning from in-situ data acquisition, melt-pool simulation, microstructure modeling, and statistical microstructure quantification. A machine learning-based surrogate model is constructed to predict melt pool geometry directly from in-situ coaxial camera data. The surrogate model is trained using outputs from a high-fidelity melt pool simulation, which provides accurate melt pool dimension data under varying process conditions. The predicted melt pool geometry is then used as input to a microstructure model to predict microstructural features. To rigorously compare and analyze microstructures, the project introduces statistical metrics that quantify differences based on key features such as morphology and texture. Microstructures are represented using advanced statistical descriptors including angular chord length distribution, two-point spatial statistics, orientation distribution function, and global spherical harmonic. These representations are used to compute four distinct “dissimilarity scores” that quantitatively capture differences in texture and morphology. This framework is demonstrated to enable automated calibration of simulation parameters by minimizing discrepancies between simulated and target microstructures. The technology developed in this project enables direct correlation between in-situ monitoring data and resulting microstructure, paving the way for adaptive microstructure control in metal AM. This capability strengthens the connection between process parameters and final material properties, facilitating more precise and reliable material design.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Volatile Analyzer for Lunar Polar Missions

One of the major questions remaining for the future exploration of the Moon by humans concerns the presence of volatiles on our nearest neighbor in space. Observational studies, and investigations involving returned lunar samples and using robotic spacecraft infer the existence of volatile compounds particularly water [1]. It seems very likely that a volatile component will be concentrated at the poles in circumstances where low-temperatures exist to provide cryogenic traps. However, the full inventory of species, their concentration and their origin and sources are unknown. Of particular importance is whether abundances are sufficient to act as a resource of consumables for future lunar expeditions especially if a long-term base involving humans is to be established. To address some of these issues requires a lander designed specifically for operation at a high-lunar latitude. A vital part of the payload needs to be a volatile analyzer such as the Gas Analysis Package specifically designed for identification quantification of volatile substances and collecting information which will allow the origin of these volatiles to be identified [1]. The equipment included, particularly the gas analyzer, must be capable of operation in the extreme environmental conditions to be encountered. No accurate information yet exists regarding volatile concentration even for sites closer to the lunar equator (because of contamination). In this respect it will be important to understand (and thus limit) contamination of the lunar surface by extraneous material contributed from a variety of sources. The only data for the concentrations of volatiles at the poles comes from orbiting spacecraft and whilst the levels at high latitudes may be greater than at the equator, the volatile analyzer package under consideration will be designed to operate at the highest specifications possible and in a way that does not compromise the data.

Gibons, Everett K.↗
DOE OSTI2022

Uncertainty Quantification of Calculated Temperatures for the AGR 5/6/7 Experiment

This report documents the quantification of uncertainty of the calculated temperature data for the Advanced Gas Reactor (AGR) 5/6/7 fuel irradiation experiment conducted in the Advanced Test Reactor at Idaho National Laboratory in support of the Advanced Reactor Technologies? research and development program. Recognizing uncertainties inherent in physics and thermal simulations of the AGR 5/6/7 capsules, the results of the numerical simulations are used in combination with statistical analysis methods to improve qualification of measured data. The calculated fuel temperatures for AGR tests are also used for validation of the fission product transport and fuel performance simulation models. These crucial roles of the calculated fuel temperatures in ensuring achievement of the AGR experimental program objectives require accurate determination of the model temperature uncertainties. This report covers temperature uncertainty results for each of the five AGR 5/6/7 capsules. To quantify the uncertainty of calculated temperatures determined using the ABAQUS finite element heat transfer code, this study identifies and analyzes model parameters of potential importance to the calculated temperatures of fuel compacts and thermocouples. The selection of input parameters for uncertainty quantification is based on the ranking of their influences upon temperature predictions. Thus, selected input parameters include those with high sensitivity and those with the largest uncertainty. Propagation of model parameter uncertainty and sensitivity is then used to quantify the overall uncertainty of calculated temperatures. Measurement uncertainty, analysis of modeling assumptions, and expert judgment are used as the basis to quantify the uncertainty range for selected input parameters. The input uncertainties are dynamic, accounting for the effect of unplanned events and changes in thermal properties of capsule components over extended exposure to high temperatures and fast neutron irradiation. The sensitivity analysis performed in this work went beyond the traditional local sensitivity. Using experimental design, analysis of pairwise interactions of model parameters was performed to establish sufficiency of the time dependent first order (linear) expansion terms in constructing the temperature response surface. To achieve completeness, uncertainty propagation made use of pairwise noise correlations of model parameters. Furthermore, using an interpolation scheme over the input parameter domain, the analysis obtains time dependent sensitivity over the test campaign duration. This allows computation of uncertainty for the calculated fuel temperatures and the calculated graphite temperatures at thermocouple locations during the entire irradiation period.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A variance deconvolution estimator for efficient uncertainty quantification in Monte Carlo radiation transport applications

Monte Carlo simulations are at the heart of many high-fidelity simulations and analyses for radiation transport systems. As is the case with any complex computational model, it is important to propagate sources of input uncertainty and characterize how they affect model output. Unfortunately, uncertainty quantification (UQ) is made difficult by the stochastic variability that Monte Carlo transport solvers introduce. The standard method to avoid corrupting the UQ statistics with the transport solver noise is to increase the number of particle histories, resulting in very high computational costs. In this contribution, we propose and analyze a sampling estimator based on the law of total variance to compute UQ variance even in the presence of residual noise from Monte Carlo transport calculations. Here, we rigorously derive the statistical properties of the new variance estimator, compare its performance to that of the standard method, and demonstrate its use on neutral particle transport model problems involving both attenuation and scattering physics. We illustrate, both analytically and numerically, the estimator’s statistical performance as a function of available computational budget and the distribution of that budget between UQ samples and particle histories. We show analytically and corroborate numerically that the new estimator is unbiased, unlike the standard approach, and is more accurate and precise than the standard estimator for the same computational budget.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Several Small or Single Large? Quantifying the Catchment-Wide Performance of On-Site Wastewater Treatment Plants with Inaccurate Sensors

On-site wastewater treatment plants (OSTs) often lack monitoring, resulting in unreliable treatment performance. They thus appear to be a stopgap solution despite their potential contribution to circular water management. Low-maintenance but inaccurate soft sensors are emerging that address this concern. However, how their inaccuracy impacts the catchment-wide treatment performance of a system of many OSTs has not been quantified. Here, we develop a stochastic model to estimate catchment-wide OST performances with a Monte Carlo simulation. In our study, soft sensors with a 70% accuracy improved the treatment performance from 66% of the time functional to 98%. Soft sensors optimized for specificity, indicating the true negative rate, improve the system performance, while sensors optimized for sensitivity, indicating the true positive rate, quantify the treatment performance more accurately. This new insight leads us to suggest programming two soft sensors in practical settings with the same hardware sensor data as input: one soft sensor geared to high specificity for maintenance scheduling and one geared to high sensitivity for performance quantification. Our findings suggest that a maintenance strategy combining inaccurate sensors with appropriate alarm management can vastly improve the mean catchment-wide treatment performance of a system of OSTs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Fast uncertainty estimates in deep learning interatomic potentials

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and material properties. A common short-coming shared by current approaches, however, is that neural networks only give point estimates of their predictions and do not come with predictive uncertainties associated with these estimates. Existing uncertainty quantification efforts have primarily leveraged the standard deviation of predictions across an ensemble of independently trained neural networks. This incurs a large computational overhead in both training and prediction, resulting in order-of-magnitude more expensive predictions. Here, we propose a method to estimate the predictive uncertainty based on a single neural network without the need for an ensemble. This allows us to obtain uncertainty estimates with virtually no additional computational overhead over standard training and inference. We demonstrate that the quality of the uncertainty estimates matches those obtained from deep ensembles. We further examine the uncertainty estimates of our methods and deep ensembles across the configuration space of our test system and compare the uncertainties to the potential energy surface. Finally, we study the efficacy of the method in an active learning setting and find the results to match an ensemble-based strategy at order-of-magnitude reduced computational cost.

Chemistry↗
DOE OSTI2024

Controlling radioisotope proportions when randomly sampling from Dirichlet distributions in PyRIID

As machine learning models for radioisotope quantification become more powerful, likewise the need for high-quality synthetic training data grows as well. For problem spaces that involve estimating the relative isotopic proportions of various sources in gamma spectra it is necessary to generate training data that accurately represents the variance of proportions encountered. In this report, we aim to provide guidance on how to target a desired variance of proportions which are randomly when using the PyRIID Seed Mixer, which samples from a Dirichlet distribution. We provide a method for properly parameterizing the Dirichlet distribution in order to maintain a constant variance across an arbitrary number of dimensions, where each dimension represents a distinct source template being mixed. We demonstrate that our method successfully parameterizes the Dirichlet distribution to target a specific variance of proportions, provided that several conditions are met. This allows us to follow a principled technique for controlling how random mixture proportions are generated which are then used downstream in the synthesis process to produce the final, noisy gamma spectra.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2008

Mitigating Problems in Measuring Hypergolic Fuels

To monitor hydrazine concentrations accurately and safely, hydrazine is converted into a stable derivative that will be monitored and correlated to the actual hydrazine concentration. The hydrazine's reactivity is harnessed to produce a chemical reaction that will form a stable gas-phase derivative which will not react or decompose before it reaches the detector. Hydrazine, monomethylhydrazine, and unsymmetrical dimethylhydrazine belong to a class of compounds known as hypergolic fuels. These fuels self-ignite upon mixing with hypergolic oxidizer (dinitrogen tetroxide), without need of a spark or other ignition source. The resulting reaction produces thrust with exceptionally high energy, making these compounds particularly useful as rocket propellants. Hydrazines are also highly toxic and corrosive. The combined properties of reactivity, corrosivity, and toxicity present the potential for a leak, a disastrous situation in a hypergol-loaded system. Consequently, leak detection is of the utmost importance in protecting equipment and personnel. Hydrazine vapor quantification presents many challenges in addition to the safety concerns. The reactivity of these compounds causes thermal and catalytic decomposition, which results in significant losses. Further complications arise from the sticky nature of hydrazine. Molecules adsorb irreversibly to virtually any surface they make contact with before detection, which results in instrument drift. These properties make it difficult to accurately quantify hydrazines. Current analytical methods seek to minimize these interactions. After an extensive literature search to determine appropriate chemical reactions, a method was devised to quantify hydrazines, without the limitations of monitoring hydrazines.

Source record↗
DOE OSTI2021

Space-Time Reduced-Order Modeling for Uncertainty Quantification

This work focuses on the space-time reduced-order modeling (ROM) method for solving large-scale uncertainty quantification (UQ) problems with multiple random coefficients. In contrast with the traditional space ROM approach, which performs dimension reduction in the spatial dimension, the space-time ROM approach performs dimension reduction on both the spatial and temporal domains, and thus enables accurate approximate solutions at a low cost. We incorporate the space-time ROM strategy with various classical stochastic UQ propagation methods such as stochastic Galerkin and Monte Carlo. Numerical results demonstrate that our methodology has significant computational advantages compared to state-of-the-art ROM approaches. By testing the approximation errors, we show that there is no obvious loss of simulation accuracy for space-time ROM given its high computational efficiency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Exploring Explicit Uncertainty for Binary Analysis (EUBA)

Reverse engineering (RE) analysts struggle to address critical questions about the safety of binary code accurately and promptly, and their supporting program analysis tools are simply wrong sometimes. The analysis tools have to approximate in order to provide any information at all, but this means that they introduce uncertainty into their results. And those uncertainties chain from analysis to analysis. We hypothesize that exposing sources, impacts, and control of uncertainty to human binary analysts will allow the analysts to approach their hardest problems with high-powered analytic techniques that they know when to trust. Combining expertise in binary analysis algorithms, human cognition, uncertainty quantification, verification and validation, and visualization, we pursue research that should benefit binary software analysis efforts across the board. We find a strong analogy between RE and exploratory data analysis (EDA); we begin to characterize sources and types of uncertainty found in practice in RE (both in the process and in supporting analyses); we explore a domain-specific focus on uncertainty in pointer analysis, showing that more precise models do help analysts answer small information flow questions faster and more accurately; and we test a general population with domain-general sudoku problems, showing that adding "knobs" to an analysis does not significantly slow down performance. This document describes our explorations in uncertainty in binary analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Development of integrated neutronics and thermal analysis capabilities to support design and optimization of fusion engineering demonstration facility systems and blanket design (Final Scientific/Technical Report)

A fusion engineering demonstration facility would be the first step in the commercial fusion plant developmental pathway that aims to be an engineering demonstration of tritium self-sufficiency. One of the primary requirements for tritium self-sufficiency, as well as to ensure low plant tritium release to the external environment, is to minimize the tritium loss through the internal components, which requires accurate predictions of the tritium behavior for a wide range of materials and system conditions. This grant addressed the lack of a comprehensive model which accounts for particular conditions, such as the significance of temperature fields and neutronics information, and the systematic uncertainty quantification of associated material properties that impact tritium generation, utilization, and loss mechanisms in the blanket.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Development of integrated neutronics and thermal analysis capabilities to support design and optimization of fusion engineering demonstration facility systems and blanket design (Final Scientific/Technical Report)

A fusion engineering demonstration facility would be the first step in the commercial fusion plant developmental pathway that aims to be an engineering demonstration of tritium self- sufficiency. One of the primary requirements for tritium self-sufficiency, as well as to ensure low plant tritium release to the external environment, is to minimize the tritium loss through the internal components, which requires accurate predictions of the tritium behavior for a wide range of materials and system conditions. This grant addressed the lack of a comprehensive model which accounts for particular conditions, such as the significance of temperature fields and neutronics information, and the systematic uncertainty quantification of associated material properties that impact tritium generation, utilization, and loss mechanisms in the blanket.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Application of Constellation's best estimate alternate source term methodology

Safety analyses for a nuclear power plants need to consider postulated accidents that results in a risk of accidental release of radiation. The regulations require plant specific safety analysis reports to include an evaluation of the requirements of 10CFR50.67. Such a safety analysis report mandates limits such that calculated radiological consequences at certain locations do not exceed established limits in 10CFR50.67 following a postulated release of radioactivity. Analyses should demonstrate, with reasonable assurance, that these prescribed limits are complied with. Conventional methodologies utilize conservative approaches to address lack of uncertainty quantification in the utilized approaches, methods, and/or inputs. These built-in excess conservatisms often result in with compounding effects and hence overly conservative results in the estimated radiological consequences, which leads to inaccurate margin evaluation for operation and accident mitigation. Therefore, evaluating accurate dose consequences is needed for both operational and safety reasons. This paper illustrates the use of the best estimate source term (BEAST) methodology to the case of the loss of coolant accident (LOCA) dose analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Addressing Low-Cost Methane Sensor Calibration Shortcomings with Machine Learning

Quantifying methane emissions is essential for meeting near-term climate goals and is typically carried out using methane concentrations measured downwind of the source. One major source of methane that is important to observe and promptly remediate is fugitive emissions from oil and gas production sites but installing methane sensors at the thousands of sites within a production basin is expensive. In recent years, relatively inexpensive metal oxide sensors have been used to measure methane concentrations at production sites. Current methods used to calibrate metal oxide sensors have been shown to have significant shortcomings, resulting in limited confidence in methane concentrations generated by these sensors. To address this, we investigate using machine learning (ML) to generate a model that converts metal oxide sensor output to methane mixing ratios. To generate test data, two metal oxide sensors, TGS2600 and TGS2611, were collocated with a trace methane analyzer downwind of controlled methane releases. Over the duration of the measurements, the trace gas analyzer’s average methane mixing ratio was 2.40 ppm with a maximum of 147.6 ppm. The average calculated methane mixing ratios for the TGS2600 and TGS2611 using the ML algorithm were 2.42 ppm and 2.40 ppm, with maximum values of 117.5 ppm and 106.3 ppm, respectively. A comparison of histograms generated using the analyzer and metal oxide sensors mixing ratios shows overlap coefficients of 0.95 and 0.94 for the TGS2600 and TGS2611, respectively. Overall, our results showed there was a good agreement between the ML-derived metal oxide sensors’ mixing ratios and those generated using the more accurate trace gas analyzer. This suggests that the response of lower-cost sensors calibrated using ML could be used to generate mixing ratios with precision and accuracy comparable to higher priced trace methane analyzers. This would improve confidence in low-cost sensors’ response, reduce the cost of sensor deployment, and allow for timely and accurate tracking of methane emissions.

03 NATURAL GAS↗
DOE OSTI2023

Bayes goes fast: Uncertainty quantification for a covariant energy density functional emulated by the reduced basis method

A covariant energy density functional is calibrated using a principled Bayesian statistical framework informed by experimental binding energies and charge radii of several magic and semi-magic nuclei. The Bayesian sampling required for the calibration is enabled by the emulation of the high-fidelity model through the implementation of a reduced basis method (RBM)—a set of dimensionality reduction techniques that can speed up demanding calculations involving partial differential equations by several orders of magnitude. The RBM emulator we build—using only 100 evaluations of the high-fidelity model—is able to accurately reproduce the model calculations in tens of milliseconds on a personal computer, an increase in speed of nearly a factor of 3,300 when compared to the original solver. Besides the analysis of the posterior distribution of parameters, we present model calculations for masses and radii with properly estimated uncertainties. We also analyze the model correlation between the slope of the symmetry energy L and the neutron skin of 48 Ca and 208 Pb. The straightforward implementation and outstanding performance of the RBM makes it an ideal tool for assisting the nuclear theory community in providing reliable estimates with properly quantified uncertainties of physical observables. Such uncertainty quantification tools will become essential given the expected abundance of data from the recently inaugurated and future experimental and observational facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Bounding uncertainty in functional data: A case study

Functional data are fast becoming a preeminent source of information across a wide range of industries. A particularly challenging aspect of functional data is bounding uncertainty. In this unique case study, we present our attempts at creating bounding functions for selected applications at Sandia National Laboratories (SNL). The first attempt involved a simple extension of functional principal component analysis (fPCA) to incorporate covariates. Though this method was straightforward, the extension was plagued by poor coverage accuracy for the bounding curve. This led to a second attempt utilizing elastic methodology which yielded more accurate coverage at the cost of more complexity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Emulating climate extreme indices

We use simple pattern scaling and time-shift to emulate changes in a set of climate extreme indices under future scenarios, and evaluate the emulators' accuracy. We propose a metric for the error in emulation in the context of initial condition ensembles, to specifically characterize the role of internal variability in the emulation performance. Our metric separates systematic emulation errors from unavoidable discrepancies between emulated and target values due to internal variability. We compute the metricis at grid-point scale, and we show geographically resolved results, or aggregate them at global scale. We demonstrate the use of our error metric in the emulation of a suite of temperature and precipitation extreme indices. We test and compare simple pattern scaling and time-shift using a range of trajectories spanning targets inspired by the Paris agreement -- warming to 1.5C and 2.0C from the pre-industrial baseline -- and two of the longer-established trajectories, RCP4.5 and RCP8.5. With this suite of scenarios we can test the effects on the performance of the size of the temperature gap between emulation origin and target. We find that for most indices emulation the dominant source of discrepancy is internal variability. For at least one index, however, counting exceedances of a high temperature threshold, significant portions of the globally aggregated discrepancy and its regional pattern originate from the systematic emulation error. This error exceeds internal variability of both the target and the emulated quantities in large coherent regions at low latitudes, and the explanation can be found in the differential behavior of temperature distributions across latitudes. The metric also highlights a fundamental difference in the two methods related to the simulation of internal variability, which is dampened significantly by simple pattern scaling. This aspect is of consequence when using these methods for specific applications, where preserving variability for uncertainty quantification is deemed important. With this study we offer our metric as a diagnostic tool, facilitating the formulation of scientific hypotheses on the reasons for the error. In the meantime, we show that for many impact relevant indices by now traditional emulation techniques can be accurate within the variations unavoidably introduced by internal variability, establishing the fundamental condition for using their emulation in impact modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Simulation of wind and solar energy generation over California with E3SM SCREAM regionally refined models at 3.25 km and 800 m resolutions

This study presents wind and solar power generation estimates derived from the US Department of Energy’s Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) Regionally Refined Models (RRM) over California at 3.25 km and 800 m horizontal resolutions, using the Python wrapper for the System Advisor Model (PySAM). The resulting wind and solar generation estimates are compared to monthly capacity factors reported to the Energy Information Administration (EIA), High-Resolution Rapid Refresh (HRRR, 3 km resolution) forecast model, and E3SM North American regionally refined model (NARRM, 25 km resolution). We systematically assess the impacts of generation modeling assumptions, meteorological models, and horizontal resolution. Results show that resolution plays a dominant role for wind energy: increasing from 25 to 3.25 km brings qualitative and quantitative improvements, most notably by resolving the phase error in the seasonal cycle found in coarser simulations. However, further refinement to 800 m offers minimal gains. SCREAM performs better than HRRR for solar power generation in single- and dual-axis tracking systems, likely due to more accurate surface radiation. The sensitivity of PySAM to system configuration, particularly for axis-tracking modeling in photovoltaics, is also highlighted. Overall, SCREAM-RRM shows strong potential for high-resolution energy assessments, with future progress depending on more in situ observations and clearer quantification of uncertainties in generation modeling.

Geosciences↗