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At least 361 records · Page 20

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Aerosol emissions from water-lean solvents for post-combustion CO 2 capture

Advanced water-lean solvents (WLS) for post-combustion CO 2 capture have been gaining interest due to their ability to reduce the parasitic penalty from energy needed for solvent regeneration. Commercial implementation of these novel CO 2 capture technologies hinges on successful control of amine emissions. RTI conducted a parametric study of fundamental and operational variables influence on overall amine aerosol and vapor emissions from our water-lean solvent eCO 2 Sol™ using our 6-kW equivalent bench-scale gas absorption system. The parametric testing used a simulated flue gas with 15 % CO 2 , 2.3–4.2 % H 2 O, and 0–6 ppm sulfite (SO 3 ) to examine the impact of the presence of aerosols to the capture performance and amine emissions from the system. The SO 3 reacts with water in the flue gas to create H 2 SO 4 , which forms liquid aerosol droplets and provide nucleation sites for growth of aerosols. Scanning Mobility Particle Sizer and Aerodynamic Particle Sizer instruments monitored the aerosol particle size distribution. Parametric testing results suggested that the presence of the aerosols in the flue gas could increase the overall amine emissions by 10X compared to the baseline emissions from WLS’s vapor pressure. Principal component analysis (PCA) and projection to latent squares (PLS) developed models to predict the aerosol-based amine emissions from process data. The predictive PLS model had a correlation coefficient (Q 2 ) of 0.92 and could predict the aerosol-based emissions from the NAS process with ±15 % accuracy (average absolute deviation, AAD). The PLS regression model also identified key variables affecting aerosol-based emissions from WLS.

42 ENGINEERING↗

DOE OSTI2021

Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump

Cholestatic liver injury is frequently associated with drug inhibition of bile salt transporters, such as the bile salt export pump (BSEP). Reliable in silico models to predict BSEP inhibition directly from chemical structures would significantly reduce costs during drug discovery and could help avoid injury to patients. We report our development of classification and regression models for BSEP inhibition with substantially improved performance over previously published models. We assessed the performance effects of different methods of chemical featurization, data set partitioning, and class labeling and identified the methods producing models that generalized best to novel chemical entities.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2021

Evaluation, Analysis, and Application of Internal Strain-Gage Balance Data

Experimental processes, analytical methods, and numerical algorithms are described that may be used to predict the forces and moments of an internal strain-gage balance during a wind tunnel test. First, the control volume model of a strain-gage balance and the concepts of load state, load space, and output space are introduced. These important abstractions provide a better understanding of fundamental characteristics of different balance load prediction approaches. Then, the description of strain-gage balance data and the definition of the primary gage sensitivity is discussed. Afterwards, basic elements of the calibration of a typical six-component balance are reviewed. Two fundamentally different balance load prediction methods, the processing of check loads, and related topics are also discussed. Three real-world balance data examples are reviewed in great detail to illustrate typical analysis results for a variety of strain-gage balance designs. Finally, important observations are summarized and recommendations are provided. Additional information and detailed mathematical derivations can be found in the appendices of the document. They include the following topics: balance terminology, definitions of important statistical metrics, balance axis system conventions, balance load transformations, the combined load diagram, electrical output format options, bi-directional gage output characteristics, determination of the natural zeros, derivation of two balance load prediction methods, description of two tare load iteration algorithms, modeling of balance temperature effects, basics of three-component moment balances, definition of the percent contribution, detection of linear and near-linear dependencies in balance calibration data, a regression model term selection algorithm, and other related topics.

wind tunnel test↗

DOE OSTI2024

Frequency Nadir Constrained Unit Commitment for High Renewable Penetration Island Power Systems

The process of energy decarbonization in island power systems is accelerated due to the swift integration of inverter-based renewable energy resources (IBRs). The unique features of such systems, including rapid frequency changes resulting from potential generation outages or imbalances due to the unpredictability of renewable power, pose a significant challenge in maintaining the frequency nadir without external support. This paper presents a unit commitment (UC) model with data-driven frequency nadir constraints, including either frequency nadir or minimum inertia requirements, helping to limit frequency deviations after significant generator outages. The constraints are formulated using a linear regression model that takes advantage of real-world, year-long generation scheduling and dynamic simulation data. The efficacy of the proposed UC model is verified through a year-long simulation in an actual island power system using historical weather data. The alternative minimum inertia constraint, derived from actual system operation assumptions, is also evaluated. Findings demonstrate that the proposed frequency nadir constraint notably improves the system's frequency nadir under high photovoltaic (PV) penetration levels, albeit with a slight increase in generation costs, when compared to the alternative minimum inertia constraint.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Solving Stochastic Inverse Problems for Property–Structure Linkages Using Data-Consistent Inversion and Machine Learning

Determining process–structure–property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process–structure and structure–property linkages. In this work, we seek to learn a distribution of microstructure parameters that are consistent in the sense that the forward propagation of this distribution through a crystal plasticity finite element model matches a target distribution on materials properties. This stochastic inversion formulation infers a distribution of acceptable/consistent microstructures, as opposed to a deterministic solution, which expands the range of feasible designs in a probabilistic manner. Furthermore, to solve this stochastic inverse problem, we employ a recently developed uncertainty quantification framework based on push-forward probability measures, which combines techniques from measure theory and Bayes’ rule to define a unique and numerically stable solution. This approach requires making an initial prediction using an initial guess for the distribution on model inputs and solving a stochastic forward problem. To reduce the computational burden in solving both stochastic forward and stochastic inverse problems, we combine this approach with a machine learning Bayesian regression model based on Gaussian processes and demonstrate the proposed methodology on two representative case studies in structure–property linkages.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Frequency-Nadir-Constrained Unit Commitment for Low-Inertia, High-IBR Island Power Systems [Slides]

14 SOLAR ENERGY↗

DOE OSTI2020

Foam Degradation Model during Thermal Hypothetical Accident Conditions

Current practice in Safety Analysis Report for Packaging (SARP) thermal analysis for hypothetical accident conditions (HAC) of packages is to not explicitly model the consequence to the foam impact limiting material, but instead to make conservative estimates of those consequences and begin calculations from that point. This approach is typically used for the foam regression distance, which is the thickness of the degraded foam layer after the 30-minute fire event. Estimates for regression distance can come directly from package burn test results or from correlations based on one-dimensional testing by the foam manufacturer. In either case, this is a subjective process, and although it can be used to produce a conservative result, it is a significant approximation in the analysis. This paper describes testing and refinement of a simplified foam regression model. Comparisons are made against available data from laboratory experiments. Model refinements were tested until satisfactory agreement was achieved. The final modeling approach was then compared with post-test inspection results from HAC burn test data. A new model with an effective thermal conductivity based on foam to char density variation was shown successful in representing laboratory-scale foam thermal degradation experiments and full-scale burn tests of a current package. This model offers a technically defensible and predictive approach for modeling thermal degradation of rigid polyurethane insulation in transport packages.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Early experiences building a software quality prediction model

Early experiences building a software quality prediction model are discussed. The overall research objective is to establish a capability to project a software system's quality from an analysis of its design. The technical approach is to build multivariate models for estimating reliability and maintainability. Data from 21 Ada subsystems were analyzed to test hypotheses about various design structures leading to failure-prone or unmaintainable systems. Current design variables highlight the interconnectivity and visibility of compilation units. Other model variables provide for the effects of reusability and software changes. Reported results are preliminary because additional project data is being obtained and new hypotheses are being developed and tested. Current multivariate regression models are encouraging, explaining 60 to 80 percent of the variation in error density of the subsystems.

Agresti, W. W.↗

NASA NTRSDate not supplied

Mitigating the Impacts of Measurement Error in the Quesst Mission Community Noise Study

Beginning in 2025, the NASA Quesst mission will conduct a series of community response tests involving flyovers of the X-59 aircraft at select localities across the United States. Several waves of a longitudinal survey will be administered over approximately one month of testing in order to capture perceptual responses to low-amplitude sonic booms, or “sonic thumps”. Simultaneously, noise exposure levels will be estimated by fusing model-based predictions with measurements taken from a sparse network of monitors in the region. As one of the aims of the study is to produce a dose-response curve, a regression model relating perceptual response to noise exposure levels, it is important to acknowledge the potential attenuation bias that results from measurement error in the estimated noise exposure levels. In this presentation we review and compare several methods for dealing with measurement error in generalized linear mixed models. The methods are demonstrated on simulated data and real data collected during past NASA risk reduction studies.

measurement error↗

NASA NTRSDate not supplied

Prediction of Aircraft Estimated Time of Arrival Using A Supervised Learning Approach

We present a novel data-driven approach for prediction of the estimated time of arrival (ETA) of aircraft in the terminal area via the implementation of a Random Forest regression model. The model uses data fused from a number of sources (flight track, weather, flight plan information, etc.) and provides predictions for the remaining flight time for aircraft landing at Dallas/Fort Worth (DFW) International Airport. The predictions are made when the aircraft is at a distance of 200-miles from the airport. The results show that the model is able to predict estimated time of arrival to within ± 5 min for 90% of the flights in the test data with the mean absolute error being lower at 145 seconds. This paper covers the entire pipeline of data collection, preprocessing, setup and training of the ML model, and the results obtained for DFW.

Machine learning↗

DOE OSTI2023

Rapid discovery of high hardness multi-principal-element alloys using a generative adversarial network model

Multi-principal element alloys (MPEAs) continue to gain research prominence due to their promising high-temperature microstructural and mechanical properties. Recently, machine learning (ML) and materials informatics have been used extensively for screening MPEAs, however, most of these efforts were focused on constructing classification and regression models for predicting phase stability and mechanical properties of known compositions. These approaches may accelerate the screening process but optimizing new compositions with desirable properties within a practical time frame from an infinitely large design space of MPEA systems remains a grand challenge. To tackle this composition optimization challenge, a generative adversarial network coupled with a neural-network ML model was utilized to design MPEAs by filtering compositions that have high hardness. Even in a high-dimensional space with 18 elements as descriptors, the ML model was able to generate optimized compositions from which one composition was found to have 10% higher hardness (941 HV) than the maximum in the training data (857 HV). Density-functional theory was used to provide thermodynamic and electronic insights to higher hardness of the new MPEA found. The present work can optimize compositions from a wide design space of 18 elements (including W, Ta and Nb) that presents an opportunity to synthesize new compositions for applications ranging from corrosion-resistant alloys to nuclear materials. Here the findings suggest that generative ML can greatly accelerate materials discovery by identifying novel compositions, which can serve as a data-informed tool to guide experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Bubbles in US gasoline prices: Assessing the role of hurricanes and anti–price gouging laws

This paper examines the presence of bubbles — price changes that cannot be attributed to market fundamentals — in weekly US retail gasoline prices for ten US cities, and whether these bubbles are affected by hurricane events and anti–price gouging laws. Rolling-window, right-tailed unit root tests were used to identify and date bubbles. The analysis found 6 to 22 bubbles, lasting 4 weeks or longer, in city-level retail gasoline prices between 2000 and 2017. A linear regression model of the adjustment speed coefficients from the bubble identification step found that hurricane events increase the rate of price explosivity (or slow the rate of return to equilibrium) following a shock. Furthermore, the regression estimates also imply that state anti–price gouging laws can counteract these effects.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Using Data Science Tools to Reveal and Understand Subtle Relationships of Inhibitor Structure in Frontal Ring-Opening Metathesis Polymerization

The rate of frontal ring-opening metathesis polymerization (FROMP) using the Grubbs generation II catalyst is impacted by both the concentration and choice of monomers and inhibitors, usually organophosphorus derivatives. Herein we report a data-science-driven workflow to evaluate how these factors impact both the rate of FROMP and how long the formulation of the mixture is stable (pot life). Using this workflow, we built a classification model using a single-node decision tree to determine how a simple phosphine structural descriptor (V bur-near ) can bin long versus short pot life. Additionally, we applied a nonlinear kernel ridge regression model to predict how the inhibitor and selection/concentration of comonomers impact the FROMP rate. Furthermore, the analysis provides selection criteria for material network structures that span from highly cross-linked thermosets to non-cross-linked thermoplastics as well as degradable and nondegradable materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

Analysis of the lettuce data from the variable pressure growth chamber at NASA Johnson Space Center: A three-stage nested design model

A model of three-stage nested experimental design was applied to analyze the lettuce data obtained from the variable pressure growth chamber test bed at NASA-Johnson Space Center. From the results of an application of the analysis of variance and covariance on the data set, it was noted that all of the (uncontrollable) factors, Side, Zone, Height and (controllable) PAR (photosynthetically active radiation), had nonhomogeneous effects on the dry weight of the edible biomass of lettuce per pot. Incidentally, the variations accountable to the (uncontrollable) factorial heterogeneities are merely 9 percent and 17 percent of the total variation for both the first and second crop test, respectively. After adjusting for the PAR as a covariate in the no-intercept model, the accountable variations to all the four factors are 94 percent and 92 percent for the first and the second crop test, respectively. With the use of a no-intercept simple linear regression model, the accountable variations to the factor PAR are 92 percent and 90 percent for the first and the second crop test, respectively. Evidently, the (controllable) factor PAR is the dominating one.

Lee, Tze-San↗

DOE OSTI2022

Solar forecasting using machine learned cloudiness classification

Methods and systems for predicting irradiance include learning a classification model using unsupervised learning based on historical irradiance data. The classification model is updated using supervised learning based on an association between known cloudiness states and historical weather data. A cloudiness state is predicted based on forecasted weather data. An irradiance is predicted using a regression model associated with the cloudiness state.

Hamann, Hendrik F.↗

NASA NTRS2020

Data Science for Weather Impacts on Crop Yield

Private businesses in sectors, such as food, energy, and retail, as well as public sector and federal agencies are interested in the predictive understanding of weather impacts on crop yield, which is an important aspect of food security. Scientific literature has mainly examined how crop yield is impacted by growing season-averaged weather indices. Although a few studies did consider weather extremes in their analysis, their scope was either restricted to measuring their conditional relationship with yield or the extreme event types considered were limited. Selection of regression models, whether the more commonly used linear approaches or nonlinear methods, have not been appropriately justified in this context. Here, we develop data-driven methods to examine two inter-related hypotheses for improved scientific understanding and enhanced predictive modeling. The first hypothesis, that extreme weather indices have a statistically significant information content in them is found to be valid based on linear and nonlinear methods for pairwise dependence. The second hypothesis, examines the value addition of nonlinear regression methods, and suggests that linear approaches may not alone be adequate. The results of this study can inform scientific understanding, generation and relevance of indices and end-to-end risk assessment systems in the context of climate impacts on crop yield. An immediate application may be in the context of NASA Earth Exchange (NEX) which facilitates the generation and dissemination of impacts relevant weather data and indices using a multitude of satellite-derived data sets and model outputs.

Data mining, food security, weather impacts↗

NASA NTRS1981

Application of thermal model for pan evaporation to the hydrology of a defined medium, the sponge

A technique is presented which estimates pan evaporation from the commonly observed values of daily maximum and minimum air temperatures. These two variables are transformed to saturation vapor pressure equivalents which are used in a simple linear regression model. The model provides reasonably accurate estimates of pan evaporation rates over a large geographic area. The derived evaporation algorithm is combined with precipitation to obtain a simple moisture variable. A hypothetical medium with a capacity of 8 inches of water is initialized at 4 inches. The medium behaves like a sponge: it absorbs all incident precipitation, with runoff or drainage occurring only after it is saturated. Water is lost from this simple system through evaporation just as from a Class A pan, but at a rate proportional to its degree of saturation. The contents of the sponge is a moisture index calculated from only the maximum and minium temperatures and precipitation.

Trenchard, M. H.↗

DOE OSTI2022

Novel Application of Machine Learning Techniques for Rapid Source Apportionment of Aerosol Mass Spectrometer Datasets

In this work, we apply machine learning approaches sparse multinomial logistic regression to classify aerosol mass spectrometer (AMS) unit mass resolution (UMR) data followed by an ensemble regression technique for source apportionment of organic aerosols (OA). The classifier was trained on 60 well characterized laboratory and positive matrix factorization (PMF) deconvolved reference spectra to identify eight OA types. These include four laboratory-derived secondary organic aerosol (SOA) spectra, which include isoprene photooxidation SOA, isoprene epoxydiols (IEPOX) SOA, a monoterpene SOA type that includes a-pinene and ß-pinene SOA, and aromatic SOA from oxidation of naphthalene and m-xylene precursors, as well as PMF deconvolved spectra for three primary organic aerosol (POA) types, namely, hydrocarbon-like organic aerosol (HOA), biomass burning organic aerosol (BBOA), and cooking OA (COA), and a more oxidized oxygenated OA type (MO-OOA). A 5-fold cross-validation strategy, repeated 10 times, was used to assess the classifier’s performance. The classifier had high classification accuracy for COA, aromatic SOA, and isoprene SOA spectra but incorrectly classified ~9% by number of MO-OOA spectra as BBOA, 12% of BBOA spectra as HOA (and vice versa), and 18% of IEPOX-SOA spectra as aromatic SOA. Next, an ensemble regression model was trained on an artificially generated dataset consisting of mixtures of different OA types to assess its ability to predict fractional mass abundances from classification probabilities of various OA species obtained from the multinomial logistic regression classifier trained on the reference spectra. Ultimately, the proposed approach was applied for source apportionment of aircraft-based AMS measurements of OA UMR spectra during the HI-SCALE field campaign. On two representative days (May 6th and 18th, 2016), the algorithm determined that ~50-60% of OA by mass was MO-OOA, which represented a highly aged organic aerosol mixture from different sources. On both days, BBOA was determined to contribute less than 10% to OA by mass. However, on May 18th, the aromatic SOA fraction was higher compared to that on May 6th. The proposed approach is capable of rapidly analyzing AMS data in real time, making it suitable for applications where rapid source apportionment of AMS OA spectra is desirable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗