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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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DOE OSTI2024

Using Data-Science Approaches to Unravel Insights for Enhanced Transport of Lithium Ions in Single-Ion Conducting Polymer Electrolytes

Solid polymer electrolytes have yet to achieve the desired ionic conductivity (>1 mS/cm) near room temperature required for many applications. This target implies the need to reduce the effective energy barriers for ion transport in polymer electrolytes to around 20 kJ/mol. In this work, we combine information extracted from existing experimental results with theoretical calculations to provide insights into ion transport in single-ion conductors (SICs) with a focus on lithium ion SICs. Through the analysis of temperature-dependent ionic conductivity data obtained from the literature, we evaluate different methods of extracting energy barriers for lithium transport. The traditional Arrhenius fit to the temperature-dependent ionic conductivity data indicates that the Meyer–Neldel rule holds for SICs. However, the values of the fitting parameters remain unphysical. Our modified approach based on recent work (Macromolecules 2023, 56, 15, 6051), which incorporates a fixed pre-exponential factor, reveals that the energy barriers exhibit temperature dependence over a wide range of temperatures. Using this approach, we identify anions leading to the energy barriers <30 kJ/mol, which include trifluoromethane sulfonimide (TFSI), fluoromethane sulfonimide (FSI), and boron-based organic anions. In our efforts to design the next generation of anions, which can exhibit the energy barriers <20 kJ/mol, we have performed density functional theory (DFT) based calculations to connect the chemical structures of boron-based anions via the binding energy of cation (lithium)-anion pairs with the experimentally derived effective energy barriers for ion hopping. Not only have we identified a correlation between the binding energy and the energy barriers, but we also propose a strategy to design new boron-based anions by using the correlation. This combined approach involving experiments and theoretical calculations is capable of facilitating the identification of promising new anions, which can exhibit ionic conductivity >1 mS/cm near room temperature, thereby expediting the development of novel superionic single-ion conducting polymer electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

The AIRs Team Science Data Validation Plan

This document describes the required validation activities for the AIRS/AMSU/HSB instrument suite in the post-launch period.

EOS AIRS validation science↗

DOE OSTI2024

The impact of urban configuration types on urban heat islands, air pollution, CO 2 emissions, and mortality in Europe: a data science approach

The world is becoming increasingly urbanized. As cities around the world continue to grow, it is important for urban planners and policymakers to understand how different urban configuration patterns affect the environment and human health. We aimed at identifying European urban configuration types, based on the Local Climate Zones categories and street design variables from Open Street Map, and evaluating their association with motorized traffic flows, Surface Urban Heat Island (SUHI) intensities, tropospheric nitrogen dioxide (NO 2 ), CO 2 per capita emissions and age-standardized mortality. We considered 946 European cities from 31 countries for the analysis defined in the 2018 Urban Audit database, of which 919 European cities were analysed. Data were collected at a 250 m × 250 m grid cell resolution. We divided all cities into five concentric rings based on the Burgess concentric urban planning model and calculated the mean values of all variables for each ring. First, to identify distinct urban configuration types, we applied the Uniform Manifold Approximation and Projection for Dimension Reduction method, followed by the k-means clustering algorithm. Next, statistical differences in exposures (including SUHI) and mortality between the resulting urban configuration types were evaluated using a Kruskal–Wallis test followed by a post-hoc Dunn's test. We identified four distinct urban configuration types characterising European cities: compact high density (n=246), open low-rise medium density (n=245), open low-rise low density (n=261), and green low density (n=167). Compact high density cities were a small size, had high population densities, and a low availability of natural areas. In contrast, green low-density cities were a large size, had low population densities, and a high availability of natural areas and cycleways. The open low-rise medium and low-density cities were a small to medium size with medium to low population densities and low to moderate availability of green areas. Motorised traffic flows and NO 2 exposure were significantly higher in compact high density and open low rise medium density cities when compared with green low density and open low-rise low density cities. Additionally, green low-density cities had a significantly lower SUHI effect compared with all other urban configuration types. Per person CO 2 emissions were significantly lower in compact high density cities compared with green low density cities. Lastly, green low density cities had significantly lower mortality rates when compared with all other urban configuration types. Our findings indicate that, although the compact city model is more sustainable, European compact cities still face challenges related to poor environmental quality and health. Our results have notable implications for urban and transport planning policies in Europe and contribute to the ongoing discussion on which city models can bring the greatest benefits for the environment, climate, and health.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

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 NTRSDate not supplied

Application of a Dataset-Publication Knowledge Graph for Improving Earth Science Data Search

Finding a dataset at a NASA data center that is the best fit for the researcher’s application presents a challenge, not only for a novice user but for an experienced one, due to the data complexity and a multitude of choices of the existing data. Users often search for the data based on the application they are interested in, their research domain, phenomena, research topic, etc. As existing dataset metadata may not cover these search terms, the user may not obtain the most relevant results for their purpose. This problem was addressed by leveraging the content of the titles and abstracts of the research papers that utilize NASA datasets. For this, features from the paper titles and abstracts were extracted, and then a knowledge graph (KG) was used to link these features to the datasets used in that paper. The search for the datasets was tested by querying this knowledge graph through various terms extracted from Earth Science ontologies such as Semantic Web for Earth and Environment Technology (SWEET), and it was shown that this KG search outperforms the existing search that exclusively queries the dataset metadata.

Kristina Stoyanova↗

NASA NTRSDate not supplied

Airspace Research and Development Portfolio Assessment of Urban Air Mobility using Knowledge Graph Data Science

National Aeronautics and Space Administration (NASA) is spearheading an innovative digital engineering approach to integrate, communicate, and facilitate the research of Urban Air Mobility (UAM) operations. The UAM vision is one in which advanced technologies and new operational procedures enable practical and cost-effective air transport as an integrated mode of movement of people and goods throughout metropolitan areas. To safely support UAM operations at scale in the National Airspace System (NAS), NASA’s Air Traffic Management-Exploration (ATM-X) project has been conducting research that evolves the UAM air traffic management system towards a highly automated and operationally flexible system of the future. The complexity of UAM airspace evolution to accommodate the increasing tempo of UAM operations over time is managed through the UAM airspace research roadmap, which is a system engineering approach to the R&D of complex system-of-systems, where system’s interdependencies make it nearly impossible to define requirements for individual elements of the system in isolation. These interdependencies form a knowledge graph (node-link network) with a highly complex structure far beyond the human user’s ability to extract insights for project management’s research portfolio assessment. This study applies advanced data analytics in knowledge graph to the UAM knowledge graph to facilitate the portfolio assessment.

ATM↗

NASA NTRSDate not supplied

Airspace Research and Development Portfolio Assessment of Urban Air Mobility using Knowledge Graph Data Science

ATM↗

NASA NTRS2005

Current results from a Rover Science Data Analysis System

In this paper, we provide a brief overview of the OASIS system, and then describe our recent successes in integrating with and using rover hardware. OASIS currently works in a closed loop fashion with onboard control software (e.g., navigation and vision) and has the ability to autonomously perform the following sequence of steps: analyze gray scale images to find rocks, extract the properties of the rocks, identify rocks of interest, retask the rover to take additional imagery of the identified target and then allow the rover to continue on its original mission. We also describe the early 2004 ground test validation of specific OASIS components on selected Mars Exploration Rover (MER) images. These components include the rockfinding algorithm, RockIT, and the rock size feature extraction code. Our team also developed the RockIT GUI, an interface that allows users to easily visualize and modify the rock-finder results. This interface has allowed us to conduct preliminary testing and validation of the rockfinder's performance.

Coupled Layer Architecture for Robotic Autonomy (C↗

DOE OSTI2024

Supramolecular Catalyzed Cascade Reduction of Azaarenes Interrogated via Data Science

Not Available

Treacy, Sean M.↗

DOE OSTI2025

RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

Final Technical Report for DE-SC0021343

Geveci, Berk [Kitware, Inc.]↗

DOE OSTI2025

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026