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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 19 records

Buzzard to Cardinal: Improved Mock Catalogs for Large Galaxy Surveys

Abstract We present the Cardinal mock galaxy catalogs, a new version of the Buzzard simulation that has been updated to support ongoing and future cosmological surveys, including the Dark Energy Survey (DES), DESI, and LSST. These catalogs are based on a one-quarter sky simulation populated with galaxies out to a redshift of z = 2.35 to a depth of m r = 27. Compared to the Buzzard mocks, the Cardinal mocks include an updated subhalo abundance matching model that considers orphan galaxies and includes mass-dependent scatter between galaxy luminosity and halo properties. This model can simultaneously fit galaxy clustering and group–galaxy cross-correlations measured in three different luminosity threshold samples. The Cardinal mocks also feature a new color assignment model that can simultaneously fit color-dependent galaxy clustering in three different luminosity bins. We have developed an algorithm that uses photometric data to further improve the color assignment model and have also developed a novel method to improve small-scale lensing below the ray-tracing resolution. These improvements enable the Cardinal mocks to accurately reproduce the abundance of galaxy clusters and the properties of lens galaxies in the DES data. As such, these simulations will be a valuable tool for future cosmological analyses based on large sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Data-assisted combustion simulations with dynamic submodel assignment using random forests

This investigation outlines a data-assisted approach that employs random forest classifiers for local and dynamic submodel assignment in turbulent-combustion simulations. This method is demonstrated in simulations of a single-element GOX/GCH4 rocket combustor; a priori as well as a posteriori assessments are conducted to (i) evaluate the accuracy and adjustability of the classifier for targeting different quantities of interest (QoIs), and (ii) assess improvements, resulting from the data-assisted combustion model assignment, in predicting target QoIs during simulation runtime. Results from the a priori study show that random forests, trained with local flow properties as input variables and combustion model errors as training labels, assign three different combustion models – finite-rate chemistry (FRC), flamelet progress variable (FPV) model, and inert mixing (IM) – with reasonable classification performance even when targeting multiple QoIs. Applications in a posteriori studies demonstrate improved predictions from data-assisted simulations, in temperature and CO mass fraction, when compared with monolithic FPV calculations. An additional a posteriori data-assisted simulation of a modified configuration demonstrates that the present approach can be successfully applied to different configurations, as long as thermophysical behavior can be represented by the training data. Furthermore, these results demonstrate that this data-driven framework holds promise for dynamic combustion submodel assignments in reacting flow simulations.

42 ENGINEERING↗

Efficient Reliability Analysis using Generalized Multifidelity Modeling and Explainable Active Learning

To assess the reliability of critical technologies like nuclear plants and infrastructure systems and improve the robustness of design, engineers have to quantify the uncertainties surrounding the system behavior accurately. However, the complexity of the problem can make standard reliability analysis algorithms prohibitively expensive, primarily due to the high computational cost of estimating the system response at each iteration. This cost can be greatly reduced by using multi-fidelity modeling and machine learning to build a surrogate model to replace the expensive response function. We propose a general and robust method for building surrogates from multiple Low Fidelity (LF) models coupled with machine learning to retain accuracy. Our framework first constructs “Corrected Low Fidelity models” (CLFs) by coupling a High Fidelity (HF) model inferred Gaussian Process correction term with each of the LF models. It then uses the correction terms to assign model probabilities to each of these CLFs in an explainable way before using them to assemble the final surrogate. No assumptions are made about the type of the LF models or their correlation with the HF model. The proposed surrogate modeling framework is used within the subset simulation algorithm (a variance-reduced MCMC-based reliability analysis algorithm) for enhanced efficiency. Additionally, an active learning step is added to the algorithm to adaptively decide when the surrogate is not sufficiently accurate, at which point the HF model is called and used to refine the surrogate. Through a frame buckling example, our method is shown to be highly efficient at reducing the expensive HF model calls while accurately estimating the failure probability.

97 MATHEMATICS AND COMPUTING↗

Array-Based Machine Learning for Functional Group Detection in Electron Ionization Mass Spectrometry

Mass spectrometry is a ubiquitous technique capable of complex chemical analysis. The fragmentation patterns that appear in mass spectrometry are an excellent target for artificial intelligence methods to automate and expedite the analysis of data to identify targets such as functional groups. To develop this approach, we trained models on electron ionization (a reproducible hard fragmentation technique) mass spectra so that not only the final model accuracies but also the reasoning behind model assignments could be evaluated. The convolutional neural network (CNN) models were trained on 2D images of the spectra using transfer learning of Inception V3, and the logistic regression models were trained using array-based data and Scikit Learn implementation in Python. Our training dataset consisted of 21,166 mass spectra from the United States’ National Institute of Standards and Technology (NIST) Webbook. The data was used to train models to identify functional groups, both specific (e.g., amines, esters) and generalized classifications (aromatics, oxygen-containing functional groups, and nitrogen-containing functional groups). We found that the highest final accuracies on identifying new data were observed using logistic regression rather than transfer learning on CNN models. It was also determined that the mass range most beneficial for functional group analysis is 0–100 m/z. We also found success in correctly identifying functional groups of example molecules selected from both the NIST database and experimental data. Beyond functional group analysis, we also have developed a methodology to identify impactful fragments for the accurate detection of the models’ targets. The results demonstrate a potential pathway for analyzing and screening substantial amounts of mass spectral data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MR Cygni revisited

New analysis tools and additional unanalyzed observations justify a reanalysis of MR Cygni. The reanalysis applied successively more restrictive physical models, each with an optimization program. The final model assigned separate first and second order limb darkening coefficients, from model atmospheres, to individual grid points. Proper operation of the optimization procedure was tested on simulated observational data, produced by light synthesis with assigned system parameters, and modulated by simulated observational error. The iterative solution converged to a weakly-determined mass ratio of 0.75. Assuming the B3 primary component is on the main sequence, the HR diagram location of the secondary from the light ratio (ordinate) and adjusted T sub eff (abscissa) was calculated. The derived mass ratio, together with a main-sequence mass for the B3 component, implies a main-sequence secondary spectral type of B4. The photometrically-determined secondary radii agree with this spectral type, in marginal disagreement with the B7 type from the HR diagram analysis. The individual masses, derived from the radial velocity curve of the primary component, the photometrically-determined i, and alternative values of derived mass ratio are seriously discrepant with main sequence objects. The imputed physical status of the system is in disagreement with representations that have appeared in the literature.

Linnell, Albert P.↗

Regional variability of dust single scattering albedo due to mineral composition

Nearly all Earth System Models (ESMs) assume globally homogeneous dust aerosols, neglecting regional variations of the imaginary refractive index (IRI) due to varying mineral composition. This has led to a range of single scattering albedo (SSA) and direct radiative forcing (DRF) estimates, as models assign global properties using dust measurements from different regions. We use model and observational data to assess to what extent regionally varying mineral composition affects visible-band SSA and short-wave DRF of dust. We run global simulations with NASA GISS ModelE2.1, using optical properties for minerals based on laboratory-derived empirical relationships between dust IRI at visible wavelengths and the mineral content of iron oxides. When allowing mineral variations instead of homogeneous dust, we find regional differences in dust SSA up to ~0.06 and consequent variations in DRF up to ~6 and ~5 W/m2, at surface and top-of-atmosphere respectively. We compare model SSA with AERONET inversion data (Version 3.0, Level 2), filtered by aerosol size and optical properties to identify pure dust scenes. To investigate possible contamination by biomass burning aerosols, we use the dataset of Schuster et al. (2016, doi:10.5194/acp-16-1565-2016), who separately calculated the contribution of iron oxides and carbonaceous species to AERONET extinction and absorption optical depths. Our results show that: (1) the range of observed SSA (even without carbonaceous species) is larger than that resulting from homogeneous dust; (2) residual amounts of fine mode black and brown carbon may affect AERONET SSA even in seasons with limited biomass burning; (3) model SSA from our mineral scheme exceeds the AERONET range, possibly due also to an uncertain treatment of goethite. In summary, homogeneous dust cannot explain the variability of observed SSA, so regionally varying optical properties based on mineral content are necessary. Higher accuracy in soil mineralogy maps is needed to better reproduce SSA variations at regional scales. Also, distinct soil maps for hematite and goethite are required, given the high sensitivity of model SSA to their extreme optical properties.

V. Obiso↗

Environmental damping and vibrational coupling of confined fluids within isolated carbon nanotubes

Abstract Because of their large surface areas, nanotubes and nanowires demonstrate exquisite mechanical coupling to their surroundings, promising advanced sensors and nanomechanical devices. However, this environmental sensitivity has resulted in several ambiguous observations of vibrational coupling across various experiments. Herein, we demonstrate a temperature-dependent Radial Breathing Mode (RBM) frequency in free-standing, electron-diffraction-assigned Double-Walled Carbon Nanotubes (DWNTs) that shows an unexpected and thermally reversible frequency downshift of 10 to 15%, for systems isolated in vacuum. An analysis based on a harmonic oscillator model assigns the distinctive frequency cusp, produced over 93 scans of 3 distinct DWNTs, along with the hyperbolic trajectory, to a reversible increase in damping from graphitic ribbons on the exterior surface. Strain-dependent coupling from self-tensioned, suspended DWNTs maintains the ratio of spring-to-damping frequencies, producing a stable saturation of RBM in the low-tension limit. In contrast, when the interior of DWNTs is subjected to a water-filling process, the RBM thermal trajectory is altered to that of a Langmuir isobar and elliptical trajectories, allowing measurement of the enthalpy of confined fluid phase change. These mechanisms and quantitative theory provide new insights into the environmental coupling of nanomechanical systems and the implications for devices and nanofluidic conduits.

36 MATERIALS SCIENCE↗

Optimizing Flight Departure Delay and Route Selection Under En Route Convective Weather

This paper presents a linear Integer Programming model for managing air traffic flow in the United States. The decision variables in the model are departure delays and predeparture reroutes of aircraft whose trajectories are predicted to cross weather-impacted regions of the National Airspace System. The model assigns delays to a set of flights while ensuring their trajectories are free of any conflicts with weather. In a deterministic setting, there is no airborne holding due to unexpected weather incursion in a flight s path. The model is applied to solve a large-scale traffic flow management problem with realistic weather data and flight schedules. Experimental results indicate that allowing rerouting can reduce departure delays by nearly 57%, but it is associated with an increase in total airborne time due to longer routes flown by aircraft. The computation times to solve this problem were significantly lower than those reported in the earlier studies.

Mukherjee, Avijit↗

Statistical and Neural Network for Real Sensor-Data-Driven Anomaly Detection in Nuclear Applications

Anomaly detection (AD) in sensor data is critical to ensure uninterrupted functionality of nuclear power plants (NPPs). Consequently, AD model validation through real-world sensor data is important for applications in nuclear facilities. In this paper, we propose an Autoencoder (AE)—a multi-layered neural network, for AD in sensor data from an operational NPP testbed. Since the dataset lacks labels for irregularities, we introduce random noise and label them to effectively train our model. The proposed AE model assigns a higher reconstruction error to the abnormal samples that deviate from those encountered during the training phase and uses the reconstruction loss to detect anomalies in a representative imbalanced dataset. We also introduce an analytical solution—seasonal trend decomposition (STD)—as another AD scheme for identifying irregularities withinthe same time-series dataset. In contrast to the AE model which relies on reconstruction loss, the STD scheme decomposes the entire dataset into its trend, seasonality, and residual components to pinpoint irregularities. Our findings indicate that the proposed AE and STD models individually achieve recall scores of 97% and 92%, respectively. We validate the performance of the two models on both balanced and imbalanced data. We further solidify the results by picking the combined selected anomalies of the two solutions with an "AND" operator for more reliable predictions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Statistical and Neural Network for Real Sensor-Data-Driven Anomaly Detection in Nuclear Applications

Anomaly detection (AD) in sensor data is critical to ensure uninterrupted functionality of nuclear power plants (NPPs). Consequently, validation of AD models through real-world sensor data is important for their application in nuclear facilities. In this paper, we propose an Autoencoder (AE)— a multi-layered neural network, for AD in sensor data from an operational NPP testbed. Since the dataset lacks labels for irregularities, we introduce random noise and label them to effectively train our model. The proposed AE model assigns a higher reconstruction error to the abnormal samples that deviate from those encountered during the training phase and uses the reconstruction loss to detect anomalies in a representative imbalanced dataset. We also introduce an analytical solution—seasonal trend decomposition (STD) — as another AD scheme for identifying irregularities within the same time-series dataset. In contrast to the AE model which relies on reconstruction loss, the STD scheme decomposes the entire dataset into its trend, seasonality, and residual components to pinpoint irregularities. Our findings indicate that the proposed AE and STD models individually achieve recall scores of 97% and 92%, respectively. We also validate the performance of the two models on both balanced and imbalanced data. We further solidify the results by picking the combined selected anomalies of the two solutions with an "AND" operator for more reliable predictions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Earth and Venus - A comparative study

Two hypotheses attempting to account for the anomalously low intrinsic density of Venus in terms of chemical fractionation processes are entertained. Both assume similar relative abundances of major elements (Fe, Si, Mg, Al, Ca) in Venus and earth. One model assigns a larger proportion of the total Fe present in Venus to the planetary mantle, implying a core/mantle ratio lower than that of earth, and more extensive oxidation. The alternate hypothesis projects a Venus more reduced than the earth, with a mantle devoid of oxidized Fe; the difference in intrinsic densities is then attributed to the earth accreting at a lower temperature consonant with its greater distance from the sun. Large amounts of sulfur are presumed accreted on the earth but not on Venus, in the second model. Available chemical evidence tends to favor the first model.

Ringwood, A. E.↗

Truck platooning in the U.S. national road network: A system-level modeling approach

Truck platooning enables a group of trucks to move close together, which helps reduce truck fuel use and increase effective road capacity. In this paper, a system-level equilibrium model is developed to characterize spontaneous truck platooning with coexistence of non-platooning vehicles in a network, by explicitly accounting for the interlocking relationship among platoon formation time, truck fuel saving, and increase in effective road capacity. To equilibrate the relationships, an algorithm is proposed which involves a diagonalization approach and a bush based algorithm to solve decomposed subproblems. The condition of proportionality is imposed to obtain unique traffic flows for each class of vehicles on road links. In addition, a spatially constrained multivariate clustering technique is employed to construct origin/destination zones that are smaller than the coarse Freight Analysis Framework (FAF) zones, while maintaining reasonable computational burden for network traffic assignment. Model implementation in the U.S. shows that platooning could lead to 7.9% fuel saving among platoonable trucks in 2025 and a comparable increase in effective capacity of platoonable road links, which would account for 60% of rural interstate roads. The fuel saving and road capacity improvement translate into an annual cost reduction of $\$$868 million for the U.S. intercity trucking sector and reduced road infrastructure investment needs worth $\$$4.8 billion. Extensive sensitivity analysis further reveals that fuel saving of platoonable trucks increases with platoon size but decreases with inter-truck distance in a platoon. Fuel saving potential suggests that priority should be given to rural rather than urban roads in deploying platooning technologies. As we expected, greater market penetration of platooning technologies means higher fuel saving and greater increase in effective road capacity.

33 ADVANCED PROPULSION SYSTEMS↗

Development of A Directed Acyclic Graph for Venous Thromboembolism During Spaceflight

Introduction: Recent studies have reported the development of venous blood flow stasis in astronauts and an occlusive venous thrombosis during spaceflight. Subsequent investigations revealed approximately one quarter of surveilled crew members had some degree of blood flow stasis in the left internal jugular vein. Therefore, NASA’s Human System Risk Board now formally tracks venous thromboembolism (VTE) as a “concern” for human spaceflight. To investigate potential mechanisms by which exposures concomitant with spaceflight (e.g., microgravity, radiation) may contribute to VTE, we developed a causal diagram in the form of a directed acyclic graph (DAG). Methods: The mechanisms by which spaceflight exposures may elevate the risk of VTE and the downstream effects on mission outcomes were critically analyzed, taking into account scientific literature and subject matter expertise consultation, and a DAG was generated. A Level-of-Evidence score for each causal relationship was assigned based on assessing the literature against a set of criteria derived from the A. Bradford Hill Causal Guidelines. Results: The set of three main factors that predispose people to VTE (hypercoagulability, endothelial damage, and blood stasis) is known as Virchow’s Triad. In constructing the DAG for VTE we articulated various mechanisms by which the principal spaceflight hazards (microgravity, radiation, closed hostile environment, isolation and confinement, distance from Earth) are thought to interact with or cause the components in Virchow’s triad. We found sufficient evidence to at least speculate that fluid shifts from microgravity, compensatory alterations in hematologic indices, spaceflight atmospheric conditions, and oxidative stress/inflammation from radiation may be potential contributors to VTE development. Discussion: Developing the DAG entailed a systematic and repeatable approach for visualizing relationships between contributing factors that may lead to VTE in spaceflight. Articulating pathways linking spaceflight exposures to VTE risk factors and possible VTE development enables subject matter experts from different domains to construct a shared mental model. Assignment of levels of evidence scores to the relationships helps identify knowledge and capability gaps that should be considered for further investigation. Furthermore, the DAG highlights modifiable variables and may therefore facilitate the development of new VTE risk mitigation strategies.

Alexander Svoronos↗

Assignment of Freight Traffic in a Large-scale Intermodal Network under Uncertainty

This paper presents a methodology for freight traffic assignment in a large-scale road-rail intermodal network under uncertainty. Network uncertainties caused by natural disasters have dramatically increased in recent years. Several of these disasters (e.g., Hurricane Sandy, Mississippi River Flooding, and Hurricane Harvey) severely disrupted the U.S. freight transportation network, and consequently, the supply chain. To account for these network uncertainties, a stochastic freight traffic assignment model is formulated. An algorithmic framework, involving the sample average approximation and gradient projection algorithm, is proposed to solve this challenging problem. The developed methodology is tested on the U.S. intermodal network with freight flow data from the Freight Analysis Framework. The experiments consider three types of natural disasters that have different risks and impacts on transportation networks: earthquakes, hurricanes, and floods. It is found that for all disaster scenarios, freight ton-miles are higher compared to the base case without uncertainty. The increase in freight ton-miles is the highest under the flooding scenario; this is because there are more states in the flood-risk areas, and they are scattered throughout the U.S.

42 ENGINEERING↗

General Multifidelity Surrogate Models: Framework and Active-Learning Strategies for Efficient Rare Event Simulation

Estimating the probability of failure for complex real-world systems using high-fidelity computational models is often prohibitively expensive, especially when the probability is small. Exploiting low-fidelity models can make this process more feasible, but merging information from multiple low-fidelity and high-fidelity models poses several challenges. Here, this paper presents a robust multi-fidelity surrogate modeling strategy in which the multi-fidelity surrogate is assembled using an active learning strategy using an on-the-fly model adequacy assessment set within a subset simulation framework for efficient reliability analysis. The multi-fidelity surrogate is assembled by first applying a Gaussian process correction to each low-fidelity model and assigning a model probability based on the model's local predictive accuracy and cost. Three strategies are proposed to fuse these individual surrogates into an overall surrogate model based on model averaging and deterministic/stochastic model selection. The strategies also dictate which model evaluations are necessary. No assumptions are made about the relationships between low-fidelity models, while the high-fidelity model is assumed to be the most accurate and most computationally expensive model. Through two analytical and two numerical case studies, including a case study evaluating the failure probability of Tristructural isotropic-coated (TRISO) nuclear fuels, the algorithm is shown to be highly accurate while drastically reducing the number of high-fidelity model calls (and hence computational cost).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗