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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Estimating Leaf Area Index in Row Crops Using Wheel-Based and Airborne Discrete Return Light Detection and Ranging Data

Leaf area index (LAI) is an important variable for characterizing plant canopy in crop models. It is traditionally defined as the total one-sided leaf area per unit ground area and is estimated by both direct and indirect methods. This paper explores the effectiveness of using light detection and ranging (LiDAR) data to estimate LAI for sorghum and maize with different treatments at multiple times during the growing season from both a wheeled vehicle and Unmanned Aerial Vehicles. Linear and nonlinear regression models are investigated for prediction utilizing statistical and plant structure-based features extracted from the LiDAR point cloud data with ground reference obtained from an in-field plant canopy analyzer (indirect method). Results based on the value of the coefficient of determination ( R 2 ) and root mean squared error for predictive models ranged from ∼0.4 in the early season to ∼0.6 for sorghum and ∼0.5 to 0.80 for maize from 40 Days after Sowing to harvest.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Horizontal Split Table Conceptual Design for Validation of Nuclear Data used in Advanced Reactors [Slides]

A methodology to create conceptual designs of benchmark critical experiments for advanced reactors nuclear data testing and validation was developed. A first concept was explored, pebble-bed high-temperature gas cooled reactor, based on the HTR-10 reactor. The very high correlation is a proof of concept that the design is similar to the application, and performing such critical experiments would help nuclear data testing and validation. This proof-of-concept was included in the IER-539 CED-1:Preliminary Design of a New Horizontal Split Table report. Other concepts could be explored if needed, such as Molten-salt reactor, Sodium-cooled fast reactor or Heat pipe reactors/Microreactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Solving differential equations using deep neural networks

Recent work on solving partial differential equations (PDEs) with deep neural networks (DNNs) is presented. The paper reviews and extends some of these methods while carefully analyzing a fundamental feature in numerical PDEs and nonlinear analysis: irregular solutions. First, the Sod shock tube solution to the compressible Euler equations is discussed and analyzed. This analysis includes a comparison of a DNN-based approach with conventional finite element and finite volume methods, and demonstrates that the DNN is competitive in terms of degrees of freedom required for a given accuracy. Further, the DNN-based approach is extended to consider performance improvements and simultaneous parameter space exploration. Next, a shock solution to compressible magnetohydrodynamics (MHD) is solved for, and used in a scenario where experimental data is utilized to enhance a PDE system that is a priori insufficient to validate against the observed/experimental data. This is accomplished by enriching the model PDE system with source terms that are then inferred via supervised training with synthetic experimental data. The resulting DNN framework for PDEs enables straightforward system prototyping and natural integration of large data sets (be they synthetic or experimental), all while simultaneously enabling single-pass exploration of an entire parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Real-time Intrusion Detection for High-bandwidth Research Networks using Unsupervised Deep Learning

Nowadays, data generated by large-scale scientific experiments are on the scale of petabytes per month. These data are transferred through dedicated high-bandwidth networks across distributed collaboration sites for processing, storage, and analysis. Like general purpose networks, research networks experience attacks. However, monitoring traffic in such high-bandwidth network environments is challenging with conventional deep packet inspection (DPI)- based network intrusion detection systems (NIDS). Recently, machine learning (ML) algorithms have shown potential in detecting anomalous patterns with better generalizability and faster speed. Compared to the general purpose networks, traffic movement in research network is less volatile and more likely to benefit from the ML-based anomaly analysis. We present ThunderSecure, an efficient AI-powered system for detecting anomalies in 100G research networks. ThunderSecure implements a high-throughput packet processing infrastructure using multi-cores and GPUs. It takes time-series statistics from a variety of network measurements and uses 2D Convolutional Neural Network (CNN) to explore both spatial and temporal dependencies in network data stream. Patterns of science data traffic are learned with a one-class neural network, which blends an Adversarial Autoencoder (AAE) with Gaussian mixture density estimation. Testing traffic flows exhibiting significant deviations from the learned baseline of normality are marked as anomalies. We trained ThunderSecure on hundreds of billions of science data packets recorded from a 100G research network at Fermi National Accelerator Laboratory. The detection performance was evaluated on traffic captured from the same research network days and weeks after the training with different types of attack flows injected. To the best of our knowledge, this is the first ML work in the area of network anomaly detection that has been validated on such extreme scale datasets. Results show that ThunderSecure can recognize science data traffic that are captured long after the training and make nearly certain detection on those with anomalous flows injected, even in the case when the anomaly-to-normal mixing ratio is 0.1%.

Gong, Qian↗
DOE OSTI2023

Exploring the Effects of Population and Employment Characteristics on Truck Flows: An Analysis of NextGen NHTS Origin-Destination Data

Truck transportation remains the dominant mode of US freight transportation because of its advantages, such as the flexibility of accessing pickup and drop-off points and faster delivery. Because of the massive freight volume transported by trucks, understanding the effects of population and employment characteristics on truck flows is critical for better transportation planning and investment decisions. The US Federal Highway Administration published a truck travel origin-destination data set as part of the Next Generation National Household Travel Survey program. This data set contains the total number of truck trips in 2020 within and between 583 predefined zones encompassing metropolitan and nonmetropolitan statistical areas within each state and Washington, DC. In this study, origin-destination-level truck trip flow data was augmented to include zone-level population and employment characteristics from the US Census Bureau. Census population and County Business Patterns data were included. The final data set was used to train a machine learning algorithm-based model, Extreme Gradient Boosting (XGBoost), where the target variable is the number of total truck trips. Shapley Additive ExPlanation (SHAP) was adopted to explain the model results. Results showed that the distance between the zones was the most important variable and had a nonlinear relationship with truck flows.

Uddin, Majbah↗
DOE OSTI2020

Shallow Geothermal Potential of the Snake River Plain

The Snake River Plain (SRP) terrestrial heat flow and subsurface thermal regime are not well understood but are important for assessing the local geothermal resource potential, both for conventional and for Enhanced Geothermal Systems (EGS) development in the region. Resource evaluation for the SRP is complicated by the disparate data density, along with the known lateral advection of heat in the Eastern Snake River Plain Aquifer and vertical heat transport by fluids in the bounding faults, primarily in the southwestern section. Fortunately, recent studies, e.g., the Snake River Plain Play Fairway Analysis, the Idaho FORGE site, and site-specific investigations, which included drilling within the Camas Prairie and on the Mountain Home Air Force Base, near Twin Falls, and in the Eastern Snake River Plain as part of the HOTSPOT Project, add both additional drilling and geophysical data. The SMU Geothermal Laboratory has conducted detailed studies of SRP tectonics and heat flow since the 1970's and used this knowledge as part of the EGS geothermal potential estimation for the conterminous United States in 2006 and again in 2011, calculating geothermal potential from 3.5 km to 10 km depth. Recent temperature modeling refined the calculation methodology to estimate shallow (1 km to 4 km) resource potential using an improved thermal conductivity model and incorporation of shallow groundwater flow. By incorporating the new SRP geology, geophysics, and 206 thermal data sites into the SMU thermal modeling methodology, this project updates the resource estimate for the SRP, and generates new temperature-at-depth maps for the shallow subsurface (1 km to 4 km). The project results highlight the EGS potential resource areas (=150°C) and areas with more exploration risks based on minimal and/or low-quality data. The newest temperature modeling results suggest EGS potential is near five times greater in the SRP than previously estimated.

EGS↗
DOE OSTI2020

Data-driven materials research enabled by natural language processing and information extraction

Given the emergence of data science and machine learning throughout all aspects of society, but particularly in the scientific domain, there is increased importance placed on obtaining data. Data in materials science are particularly heterogeneous, based on the significant range in materials classes that are explored and the variety of materials properties that are of interest. This leads to data that range many orders of magnitude, and these data may manifest as numerical text or image-based information, which requires quantitative interpretation. The ability to automatically consume and codify the scientific literature across domains - enabled by techniques adapted from the field of natural language processing - therefore has immense potential to unlock and generate the rich datasets necessary for data science and machine learning. This review focuses on the progress and practices of natural language processing and text mining of materials science literature and highlights opportunities for extracting additional information beyond text contained in figures and tables in articles. Here, we discuss and provide examples for several reasons for the pursuit of natural language processing for materials, including data compilation, hypothesis development, and understanding the trends within and across fields. Current and emerging natural language processing methods along with their applications to materials science are detailed. We, then, discuss natural language processing and data challenges within the materials science domain where future directions may prove valuable.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Verification and Validation of START: A Spent Nuclear Fuel Routing and Decision Support Tool

The Stakeholder Tool for Assessing Radioactive Transportation (START) is a web-based geospatial decision-support tool being developed by the US Department of Energy’s Office of Integrated Waste Management (IWM) to support federal interim storage for spent nuclear fuel (SNF) and associated transportation. START provides many functions for the IWM program including: serving as a communications tool for conveying geospatial data and information, an options analysis tool for exploring potential transport modes and routes for transporting SNF from nuclear power plants to future federal interim storage facilities, an emergency response planning tool for Tribes and States to identify training needs along potential SNF transport corridors, an environmental analysis tool for estimating potential radiation dose exposure from incident-free and incident-case SNF transport conditions, and a systems analysis support tool providing route-related inputs for system throughput analysis. As part of the START development process, a verification and validation (V&V) effort is being undertaken. In the initial V&V phase, several outputs of the START tool were checked such as the total distance, population and population densities within the buffer zone, and incident free dose. The V&V process is fluid as it will be utilized after each version change to ensure that the core functionalities of the tool are maintained and the results are consistent with the previous versions. Efforts have also been put into developing scripts to aid in the process of automating certain sections of the V&V work. As some of the V&V efforts use Environmental Systems Research Institute’s (ESRI) tools upon which the START framework is built, the START data were compared against outputs from tools like Quantum Geographic Information System (QGIS) for buffer zone populations and route lengths to ensure independence of the V&V process. Good agreement was observed between the START results and the independent V&V studies with the majority of the differences falling between 1% and 5% for populations within the buffer zone and route distance. This presentation describes the development and design of the START tool, V&V methods employed for various metrics of interest and their respective results, and future plans.

START, transportation, GIS, V&V↗
DOE OSTI2024

Groundwater and Surface Water Flow (GSFLOW) model files to explore bedrock circulation depth and porosity in Copper Creek, Colorado

This data package contains integrated hydrological model input and output files for Copper Creek, Colorado (24 km2), a tributary of the East River located in the headwaters of the Upper Colorado River Basin. The model code is the U.S. Geological Survey (USGS) Groundwater and Surface Water Flow (GSFLOW) model. The model contains a 100-m grid resolution and a daily timestep. The land surface model is dynamically linked to a three-dimensional groundwater flow model that allows for streamflow gaining and losing conditions. The groundwater model contains 12 model layers and extends 400 m below land surface. The original Copper Creek model was modified to contain geologic layers representing saprolite, shallow bedrock, and deep bedrock. Endmember depth versus hydraulic conductivity relationships and porosity values for fractured crystalline rock are simulated. For the shallow case, median flow depths occur in the shallow saprolite at depths <8 m, while the deep case promotes a median groundwater flow depth of 100 m. With this modeling framework we compare streamflow response to a plausible worst-case drought lasting up to five years. Streamflow metrics of analysis include average streamflow, fraction of stream network that is dry, no-flow duration, average groundwater flow to streams and time to recovery following the drought. Results and implications are presented in a paper submitted to Geophysical Research Letters titled, "The role of bedrock circulation depth and porosity in mountain streamflow response to prolonged drought" by Rosemary WH. Carroll, Andrew H. Manning and Kenneth H Williams. A Readme.txt file provides instructions on how to download all model files and execute each model scenario. In addition to the GSFLOW output/prms/copper_drought.csv file containing daily basin water stores and fluxes (refer to GSFLOW manual) and the output/prms/copper_drought_statvar.dat file with output defined in the gsflow3.control file (refer to GSFLOW Manual), output files also include spatially distributed daily values of total evapotranspiration, canopy evaporation, precipitation, snowfall, infiltration, snow water equivalent, potential evapotranspiration, recharge, sublimation, soil moisture, contributing interflow, water table elevations, changes in groundwater storage, groundwater evapotranspiration, interbasin groundwater flow (limited to the alluvium below the stream outlet), and surface-groundwater exchanges within the river system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Meld: Exploring the Feasibility of a Framework-less Framework

HEP data-processing frameworks are essential ingredients in getting from raw data to physics results. But they are often tricky to use well, and they present a significant learning barrier for the beginning HEP physicist. In addition, existing frameworks typically support rigid, collider-based data models, which do not map well to neutrino-physics experiments like DUNE. Neutrino physicists thus expend significant effort working around framework limitations instead of using a framework that directly supports their needs. Presented here is Meld, a Fermilab R&D project, which intends to address these limitations. By leveraging modern C++ capabilities, state-of-the-art concurrency libraries, and a flexible data model, it is possible for beginning (and seasoned) HEP physicists to execute framework programs easily and efficiently, with minimal coupling to framework-specific constructs. Meld aims to directly support the frameworks needs of neutrino experiments like DUNE as well as the more common collider-based experiments.

Knoepfel, Kyle J.↗
DOE OSTI2020

A non-cooperative meta-modeling game for automated third-party calibrating, validating and falsifying constitutive laws with parallelized adversarial attacks

The evaluation of constitutive models, especially for high-risk and high-regret engineering applications, requires efficient and rigorous third-party calibration, validation and falsification. While there are numerous efforts to develop paradigms and standard procedures to validate models, difficulties may arise due to the sequential, manual, and often biased nature of the commonly adopted calibration and validation processes, thus slowing down data collections, hampering the progress towards discovering new physics, increasing expenses and possibly leading to misinterpretations of the credibility and application ranges of proposed models. This work attempts to introduce concepts from game theory and machine learning techniques to overcome many of these existing difficulties. Here, we introduce an automated meta-modeling game where two competing AI agents systematically generate experimental data to calibrate a given constitutive model and to explore its weakness such that the experiment design and model robustness can be improved through competitions. The two agents automatically search for the Nash equilibrium of the meta-modeling game in an adversarial reinforcement learning framework without human intervention. In particular, a protagonist agent seeks to find the more effective ways to generate data for model calibrations, while an adversary agent tries to find the most devastating test scenarios that expose the weaknesses of the constitutive model calibrated by the protagonist. By capturing all possible design options of the laboratory experiments into a single decision tree, we recast the design of experiments as a game of combinatorial moves that can be resolved through deep reinforcement learning by the two competing players. Our adversarial framework emulates idealized scientific collaborations and competitions among researchers to achieve a better understanding of the application range of the learned material laws and prevent misinterpretations caused by conventional AI-based third-party validation. Numerical examples are given to demonstrate the wide applicability of the proposed meta-modeling game with adversarial attacks on both human-crafted constitutive models and machine learning models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Clusters of galaxies up to z = 1.5 identified from photometric data of the Dark Energy Survey and unWISE

ABSTRACT Using photometric data from the Dark Energy Survey and the Wide-field Infrared Survey Explorer, we estimate photometric redshifts for 105 million galaxies using the nearest-neighbour algorithm. From such a large data base, 151 244 clusters of galaxies are identified in the redshift range of 0.1 < z ≲ 1.5 based on the overdensity of the total stellar mass of galaxies within a given photometric redshift slice, among which 76 826 clusters are newly identified and 30 477 clusters have a redshift z > 1. We cross-match these clusters with those in the catalogues identified from the X-ray surveys and the Sunyaev–Zel’dovich (SZ) effect by the Planck, South Pole Telescope and Atacama Cosmology Telescope surveys, and get the redshifts for 45 X-ray clusters and 56 SZ clusters. More than 95 per cent SZ clusters in the sky region have counterparts in our catalogue. We find multiple optical clusters in the line of sight towards about 15 per cent of SZ clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

A comparative study of multimodal data fusion strategies for planetary spectroscopy

Integrating heterogeneous data sources can improve scientific inference when different modalities capture complementary information, but doing so is challenging in high-dimensional, small-sample settings. In spectroscopy for planetary exploration, Laser-Induced Breakdown Spectroscopy (LIBS), Raman Spectroscopy (Raman), Visible Infrared Spectroscopy (VISIR), and Mid-Infrared Spectroscopy (MIR) each examine different aspects of composition and mineralogy, raising fundamental questions about when and how data fusion improves predictive performance. Using a Mars-relevant set of geologic standards with measurements from all four modalities, we present a rigorous systematic evaluation of four data fusion strategies: low-level (data) fusion, mid-level (feature) fusion, high-level (decision) fusion, and residual-boosting (sequential) fusion. We assess performance in predicting oxide composition via nested cross-validation and corrected significance testing to evaluate whether data fusion improves upon single-modality baselines. We show that data fusion does not uniformly improve accuracy, and that observed gains are modest, oxide-dependent, and sensitive to modality and model structure. To move beyond aggregate accuracy metrics, we use model coefficients, permutation importance, and residual gain analysis to examine how the fusion models weight individual modalities and to identify patterns of apparent complementarity or redundancy. Though focused on spectroscopy for planetary exploration, our framework for data fusion evaluation and interpretation extends to other scientific domains with heterogeneous and scarce data and provides a principled approach evaluating data fusion strategies, interpreting modality contributions, and understanding tradeoffs among data fusion strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Data driven discovery and quantification of hyperspectral leaf reflectance phenotypes across a maize diversity panel

Abstract Estimates of plant traits derived from hyperspectral reflectance data have the potential to efficiently substitute for traits, which are time or labor intensive to manually score. Typical workflows for estimating plant traits from hyperspectral reflectance data employ supervised classification models that can require substantial ground truth datasets for training. We explore the potential of an unsupervised approach, autoencoders, to extract meaningful traits from plant hyperspectral reflectance data using measurements of the reflectance of 2151 individual wavelengths of light from the leaves of maize ( Zea mays ) plants harvested from 1658 field plots in a replicated field trial. A subset of autoencoder‐derived variables exhibited significant repeatability, indicating that a substantial proportion of the total variance in these variables was explained by difference between maize genotypes, while other autoencoder variables appear to capture variation resulting from changes in leaf reflectance between different batches of data collection. Several of the repeatable latent variables were significantly correlated with other traits scored from the same maize field experiment, including one autoencoder‐derived latent variable (LV8) that predicted plant chlorophyll content modestly better than a supervised model trained on the same data. In at least one case, genome‐wide association study hits for variation in autoencoder‐derived variables were proximal to genes with known or plausible links to leaf phenotypes expected to alter hyperspectral reflectance. In aggregate, these results suggest that an unsupervised, autoencoder‐based approach can identify meaningful and genetically controlled variation in high‐dimensional, high‐throughput phenotyping data and link identified variables back to known plant traits of interest.

Tross, Michael C.↗
DOE OSTI2022

Exploring New Ways to Classify Industries for Energy Analysis and Modeling

As the US moves closer to embracing a net zero greenhouse gas emissions position, combustion processes outside the power sector are becoming urgent concerns. Industry is an important end user of energy and relies on fossil fuels used directly for process heating and as feedstocks for a diverse range of applications. Fuel and energy use by industry is heterogeneous, meaning that even a single product group can vary broadly in its production routes and associated energy usage. In the US, the North American Industry Classification System (NAICS) serves as the basis for data collection and reporting. In turn, data based on NAICS is the foundation of most US energy modeling. Thus, the effectiveness of NAICS at representing energy use is a limiting condition for plans to improve energy efficiency and alternatives to fossil fuels in industry. Facility-level data to build more detail into heterogeneous sectors is scarce. This work explores alternative classification schemes for industry based on energy use characteristics, and provides a validation of an approach to make facility-level energy use estimates based on publicly available data from the greenhouse gas reporting program. First, several approaches to industrial taxonomies and their usefulness for industrial energy modeling are summarized. Data from Industrial Assessment Centers is analyzed using unsupervised machine learning techniques to detect clusters. Cladistics, an approach from biology, is adapted to energy and process characteristics of industries. A cladogram is presented for evolutionary directions in the iron and steel sector. Cladograms are a promising tool for constructing scenarios and summarizing directions of sectoral innovation. Finally, validation is performed for facility-level energy estimates from the US EPA Greenhouse Gas Reporting Program. This validation assists in making this data source available for use in energy modeling. Together, this work explores alternative approaches for categorizing industries in a way that aids understanding energy use, and presenting pathways for the future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Advanced data science toolkit for non-data scientists – A user guide

Emerging modern data analytics attracts much attention in materials research and shows great potential for enabling data-driven design. Data populated from the high-throughput CALPHAD approach enables researchers to better understand underlying mechanisms and to facilitate novel hypotheses generation, but the increasing volume of data makes the analysis extremely challenging. Here in this paper, we introduce an easy-to-use, versatile, and open-source data analytics frontend, ASCENDS (Advanced data SCiENce toolkit for Non-Data Scientists), designed with the intent of accelerating data-driven materials research and development. The toolkit is also of value beyond materials science as it can analyze the correlation between input features and target values, train machine learning models, and make predictions from the trained surrogate models of any scientific dataset. Various algorithms implemented in ASCENDS allow users performing quantified correlation analyses and supervised machine learning to explore any datasets of interest without extensive computing and data science background. The detailed usage of ASCENDS is introduced with an example of experimental high-temperature alloy data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗