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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Validation of SAS4A/SASSYS-1 for Steady-State Single-Phase Natural Circulation

The development of numerical software for engineering applications requires the validation of the code against experimental benchmark datasets. To support the validation of SAS4A/SASSYS-1 in simulating the single-phase natural circulation within nuclear reactor systems, high-precision steady-state experiments are performed to capture single-phase natural circulation phenomena on an existing scaled facility with comprehensive instrumentation. Forced convection tests are designed precisely capturing the facility’s critical thermal-hydraulic parameters required for one-dimensional modeling, and a comprehensive single-phase natural circulation dataset is obtained with well-documented experimental uncertainty and facility description. Analysis and discussion based on the finalized dataset confirm the dataset’s ability in capturing dominant phenomena and address important physical interpretation of parameters. The dataset reported in this project provides a valuable benchmark resource for the validation of system analysis codes under single-phase natural circulation inside nuclear reactors. Validation of SAS4A/SASSYS-1 is then performed against the obtained benchmark dataset to confirm the capability of its physics model in simulating the steady-state single-phase natural circulation. The experimental facility is modeled in the candidate code. Solution verification is performed using Richardson-extrapolation-based estimators to quantify and restrict numerical errors from discretization. Numerical uncertainty originating from finite maximum pseudo-transient time is also quantified and restricted. Input uncertainty provided by the benchmark dataset is forward propagated through the candidate code, directly quantifying the simulation output in a Monte Carlo approach. The composition of the output uncertainty is further determined by the estimators of Sobol’ indices through a variance-based sensitivity analysis. With uncertainty quantified for each individual condition, detailed comparison between the simulation results and experimental data is performed covering the whole dataset, which shows consistent agreement for all important quantities. The validation activity reported in this project demonstrates that SAS4A/SASSYS-1 can predict the primary parameters with satisfactorily accuracy under steady-state single-phase natural circulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRSDate not supplied

Climate Fingerprinting Sounder Product (ClimFiSP) Skin Temperature Trends Analysis

Climate fingerprinting Sounder Product (ClimFiSP) has been developed at NASA Langley Research Center which includes daily skin temperature, surface emissivity, air temperature, H2O, trace gases, and cloud properties on 0.5x0.5 grid. Those properties are derived from IR hyper-spectral radiance measured by AIRS on Aqua and CrIS on SNPP and JPSS series. Global skin temperature trends have been derived using more than 20 years of monthly mean skin temperature data from ClimFiSP. The ClimFiSP algorithm use the spectral fingerprinting methodology that allows a low latency procession of more than two decades long satellite data record. The computational cost can be reduced by more than two orders of magnitude as compared with traditional Level-Level2-Level3 retrieval algorithms. In this presentation the global skin temperature trend from ClimFiSP will be compared with skin temperature trend derived from CLIMCAPS, ERA5, GISTEMP, HadCRUT5, and IASI data products, and the results show that pattern of ClimFiSP global skin temperature trends overall matches well with other datasets. The zonally averaged skin temperature anomaly will also be validated using those datasets. It is expected that ClimFiSP surface temperature data can serve as an important complement for surface-based estimates, especially in the regions where the spatial coverage of the surface-based observations is scarce.

Liqiao Lei↗
DOE OSTI2025

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Open Source Synergy: Developing and Validating PMU Data Analysis Techniques Using Open Source Tools and Datasets

This paper presents an exploration into the development and validation of data analysis approaches for Phasor Measurement Units (PMUs) using open-source datasets and tools. Various methods for event detection, event classification, frequency response, and oscillation analysis were tested. We leverage the capabilities of Archive Walker (AW), the Frequency Response Analysis Tool (FRAT), and the Oscillation Baselining and Analysis Tool (OBAT), all open-source tools, for efficient processing and analysis of synchrophasor data. The open-source Transmission Signature Library (TSL) dataset was employed as a dataset for a comprehensive evaluation to assess the performance and reliability of the proposed methods.

PMU, event analysis, oscillation, Frequency Respon↗
DOE OSTI2021

A library of AI-assisted FAIR water cycle and related disturbance datasets to enable model training, parameterization and validation

This whitepaper is responsive to focal area Data acquisition and assimilation enabled by machine learning, AI, and advanced methods. Here we describe how FAIR (Findable, Accessible, Reusable, Interoperable) datasets related to water cycle extremes are essential for successful implementation of ML in Earth System and other models. We also describe how AI can be used to acquire and integrate water cycle data related to extreme events to create a library of FAIR datasets for training and evaluating algorithms.

58 GEOSCIENCES↗
DOE OSTI2024

Verified, Archived, Library of Inputs and Data (VALID) Supporting Files

This dataset contains input, output, and sensitivity data files for computational simulations with the SCALE code system as part of the Verified, Archived Library of Inputs and Data (VALID). The simulations cover critical benchmark experiments from the International Criticality Safety Benchmark Evaluation Project. The files are to be housed in a public directory for distribution. The information contained in the files have been approved for release by the Organisation for Economic Co-operation and Development Nuclear Energy Agency (NEA). Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases.

keff↗
NASA NTRS2022

Midwest Water Resources II: Evaluating Evapotranspiration with NASA Earth Observations and In Situ Observations to Understand Water Balance in Midwest Agriculture

Seasonal water variability in the midwestern United States extensively affects the agricultural community, as it impacts irrigation schedules, growing seasons, and overall ecosystem function. Evapotranspiration (ET) is a critical climatic variable in the water cycle and is used to evaluate spatiotemporal trends in drought and flood conditions. The NASA DEVELOP team partnered with the United States Department of Agriculture (USDA) Midwest Climate Hub, the Minnesota Department of Agriculture, the Illinois State Water Survey, and Michigan State University to compare remotely sensed ET products with in situ observations from January 2001 through December 2020. Remotely sensed actual ET (aET) data were sourced from NASA’s Terra Moderate Resolution Imaging Spectroradiometer (MODIS), and reference ET (refET) data were derived from the Gridded Surface Meteorological (gridMET) dataset. For in situ comparison, aET data were downloaded from the AmeriFlux database while refET data were collected from the Illinois Climate Network and Michigan State University’s Enviro-weather database. For a holistic assessment of ET, this project generated comparisons between remotely sensed and in situ observations, calculated descriptive statistics for validation between refET datasets, and spatially produced statistical validation maps regarding in situ sites. The temporal and spatial gaps of AmeriFlux data limited aET analysis. This comparative assessment of ET products across the Midwest can be used by project partners to assess regional water trends and guide future land management decisions.

Addison Pletcher↗
NASA NTRS2023

Atmospheric Correction Inter-comparison eXercise, ACIX-II Land: An Assessment of Amospheric Correction Processors for Landsat 8 and Sentinel-2 Over Land

The correction of the atmospheric effects on optical satellite images is essential for quantitative and multi-temporal remote sensing applications. In order to study the performance of the state-of-the-art methods in an integrated way, a voluntary and open-access benchmark Atmospheric Correction Inter-comparison eXercise (ACIX) was initiated in 2016 in the frame of Committee on Earth Observation Satellites (CEOS) Working Group on Calibration & Validation (WGCV). The first exercise was extended in a second edition wherein twelve atmospheric correction (AC) processors, a substantially larger testing dataset and additional validation metrics were involved. The sites for the inter-comparison analysis were defined by investigating the full catalogue of the Aerosol Robotic Network (AERONET) sites for coincident measurements with satellites' overpass. Although there were more than one hundred sites for Copernicus Sentinel-2 and Landsat 8 acquisitions, the analysis presented in this paper concerns only the common matchups amongst all processors, reducing the number to 79 and 62 sites respectively. Aerosol Optical Depth (AOD) and Water Vapour (WV) retrievals were consequently validated based on the available AERONET observations. The processors mostly succeeded in retrieving AOD for relatively light to medium aerosol loading (AOD < 0.2) with uncertainties <0.08, while the overall uncertainty values were typically 0.23 ± 0.15. Better performances were observed for WV retrievals with >90% of the results falling within the suggested empirical specifications and with the Root Mean Square Error (RMSE) being mostly <0.25 g/cm2. Regarding Surface Reflectance (SR) validation two main approaches were followed. For the first one, a simulated SR reference dataset was computed over all of the test sites by using the 6SV (Second Simulation of the Satellite Signal in the Solar Spectrum vector code) full radiative transfer modelling (RTM) and AERONET measurements for the required aerosol variables and water vapour content. The performance assessment demonstrated that the retrievals were not biased for most of the bands. The uncertainties ranged from approximately 0.003 to 0.01 (excluding B01) for the best performing processors in both sensors' analyses. For the second one, measurements from the radiometric calibration network RadCalNet over La Crau (France) and Gobabeb (Namibia) were involved in the validation. The performance of the processors was in general consistent across all bands for both sensors and with low standard deviations (<0.04) between on-site and estimated surface reflectance. Overall, our study provides a good insight of AC algorithms' performance to developers and users, pointing out similarities and differences for AOD, WV and SR retrievals. Such validation though still lacks of ground-based measurements of known uncertainty to better assess and characterize the uncertainties in SR retrievals.

Atmospheric correction↗
DOE OSTI2025

Characterizing Seasonal Variation of the Atmospheric Mixing Layer Height Using Machine Learning Approaches

As machine learning becomes more integrated into atmospheric science, XGBoost has gained popularity for its ability to assess the relative contributions of influencing factors in the atmospheric boundary layer height. To examine how these factors vary across seasons, a seasonal analysis is necessary. However, dividing data by season reduces the sample size, which can affect result reliability and complicate factor comparisons. To address these challenges, this study replaces default parameters with grid search optimization and incorporates cross-validation to mitigate dataset limitations. Using XGBoost with four years of data from the atmospheric radiation measurement (ARM) (Southern Great Plains (SGP) C1 site, cross-validation stabilizes correlation coefficient fluctuations from 0.3 to within 0.1. With optimized parameters, the R value can reach 0.81. Analysis of the C1 site reveals that the relative importance of different factors changes across seasons. Lower tropospheric stability (LTS, ~0.53) is the dominant factor at C1 throughout the year. However, during DJF, latent heat flux (LHF, 0.44) surpasses LTS (0.22). In SON, LTS (0.58) becomes more influential than LHF (0.18). Further comparisons among the four long-term SGP sites (C1, E32, E37, and E39) show seasonal variations in relative importance. Notably, during JJA, the differences in the relative importance of the three factors across all sites are lower than in other seasons. This suggests that boundary layer development in the summer is not dominated by a single factor, reflecting a more intricate process likely influenced by seasonal conditions such as enhanced convective activity, higher temperatures, and humidity, which collectively contribute to a balanced distribution of parameter impacts. Furthermore, the relative importance of LTS gradually increases from morning to noon, indicating that LTS becomes more significant as the boundary layer approaches its maximum height. Consequently, the LTS in the early morning in autumn exhibits greater relative importance compared to other seasons. This reflects a faster development of the mixing layer height (MLH) in autumn, suggesting that it is easier to retrieve the MLH from the previous day during this period. The findings enhance understanding of boundary layer evolution and contribute to improved boundary layer parameterization.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2024

Retrievals of Aerosol Optical Depth Over the Western North Atlantic Ocean During ACTIVATE

Aerosol optical depth was retrieved from two airborne remote sensing instruments, the Research Scanning Polarimeter (RSP) and Second Generation High Spectral Resolution Lidar (HSRL-2), during the National Aeronautics and Space Administration (NASA) Aerosol Cloud meTeorology Interactions oVer the western ATlantic Experiment (ACTIVATE). The field campaign offers a unique opportunity to evaluate an extensive 3-year dataset under a wide range of meteorological conditions from two instruments on the same platform. However, a long-standing issue in atmospheric field studies is that there is a lack of reference datasets for properly validating field measurements and estimating their uncertainties. Here we address this issue by using the triple collocation method, in which a third collocated satellite dataset from the Moderate Resolution Imaging Spectroradiometer (MODIS) is introduced for comparison. HSRL-2 is found to provide a more accurate retrieval than RSP over the study region. The error standard deviation of HSRL-2 with respect to the ground truth is 0.027. Moreover, this approach enables us to develop a simple, yet efficient, quality control criterion for RSP data. The physical reasons for the differences in two retrievals are determined to be cloud contamination, aerosols near the surface, multiple aerosol layers, absorbing aerosols, non-spherical aerosols, and simplified retrieval assumptions. These results demonstrate the pathway for optimal aerosol retrievals by combining information from both lidars and polarimeters for future airborne and satellite missions.

Aerosol optical depth↗
NASA NTRSDate not supplied

Enhancing Air Traffic Control Planning with Automatic Speech Recognition

The decisions made during the Federal Aviation Administration Air Traffic Control System Command Center's planning teleconferences hold significant sway over the National Airspace System. Held every two hours, these teleconferences convene air traffic managers and stakeholders from across the nation to discuss airspace conditions, weather, and constraints, leading to the formulation and adjustment of traffic management initiatives. Given the critical nature of these decisions, the need for accurate and efficient record-keeping is paramount. In recent years, the application of automatic speech recognition has gained popularity across diverse industries, including aviation. While traditional applications focus on transcribing air traffic control communication, this paper explores a unique application of automatic speech recognition by converting the audio from planning teleconferences into text transcriptions. This innovative approach addresses key challenges in the field, presenting potential benefits for quality assurance, real-time participation, and downstream natural language processing tasks. A notable breakthrough in the machine learning community, namely the transformer neural network architecture, forms the backbone of the proposed solution in this paper. The transformer architecture's role in this research represents a paradigm shift in the efficiency of automatic speech recognition models. By reducing the amount of in-domain training data required, this architecture allows for the fine-tuning of such models like Whisper, originally pretrained on vast English speech datasets. The adaptability of the transformer architecture proves invaluable in capturing the nuances of aviation terminology and specific language used in planning teleconferences. Leveraging the Whisper model as a baseline, our research details the fine-tuning and validation using a dataset comprising 20 hours of meticulously transcribed planning teleconferences. Notably, the baseline pretrained Whisper model exhibited a word error rate of 18.77%. Through the fine-tuning process, the model achieved a substantial improvement, demonstrating an impressive performance with a reduced word error rate of 6.82%. This substantial decrease in WER not only highlights the effectiveness of the transformer architecture but also emphasizes the practical advancements achieved through the application of automatic speech recognition in this specific domain. The utilization of automatic speech recognition in planning teleconferences in this work introduces several novelties. Firstly, the creation of text transcriptions offers a valuable tool for quality assurance and facilitates the efficient review of teleconferences. This is an important aspect of the proposed solution, given the time-sensitive and high-stakes nature of decisions made during these meetings. Furthermore, text-searchable transcriptions provide a streamlined approach for locating and validating critical information, potentially saving hours of manual effort in searching through audio recordings. Moreover, our research identifies a key use case for external facilities and stakeholders. In situations where attendance at the planning teleconference is not feasible, having access to text transcriptions in real-time or shortly after the teleconference ends, proves to be a time-saving and informative resource. This feature enhances collaboration and ensures that stakeholders can stay abreast of important discussions and decisions even in their absence. Despite the efficiency gains facilitated by the transformer architecture in automatic speech recognition technology, it is essential to acknowledge the human factors in data creation. Subject matter experts play a crucial role in accurately transcribing planning teleconferences due to the specificity and complexity of the information discussed. The research dataset, consisting of 20 hours of transcribed planning teleconferences, forms the foundation for fine-tuning and validating the Whisper model. The achieved word error rate of 6.82% demonstrates promising advancements, particularly in recognizing essential aviation terminology within the teleconferences. In conclusion, this paper presents a comprehensive exploration of the application of automatic speech recognition in Air Traffic Control System Command Center planning teleconferences, leveraging the transformer architecture for enhanced efficiency. The novel contributions lie in the improved accessibility of decision-making records, real-time participation opportunities for external stakeholders, and the potential for downstream natural language processing advancements. As the aviation industry continues to evolve, the integration of automatic speech recognition technologies holds the promise of revolutionizing decision-making processes and contributing to the overall safety and efficiency of air traffic management.

ATM↗
DOE OSTI2026

Heterogeneous Multi-Domain Dataset Synthesis to Facilitate Privacy and Risk Assessments in Smart City IoT

The emergence of the Smart Cities paradigm and the rapid expansion and integration of Internet of Things (IoT) technologies within this context have created unprecedented opportunities for high-resolution behavioral analytics, urban optimization, and context-aware services. However, this same proliferation intensifies privacy risks, particularly those arising from cross-modal data linkage across heterogeneous sensing platforms. To address these challenges, this paper introduces a comprehensive, statistically grounded framework for generating synthetic, multimodal IoT datasets tailored to Smart City research. The framework produces behaviorally plausible synthetic data suitable for preliminary privacy risk assessment and as a benchmark for future re-identification studies, as well as for evaluating algorithms in mobility modeling, urban informatics, and privacy-enhancing technologies. As part of our approach, we formalize probabilistic methods for synthesizing three heterogeneous and operationally relevant data streams—cellular mobility traces, payment terminal transaction logs, and Smart Retail nutrition records—capturing the behaviors of a large number of synthetically generated urban residents over a 12-week period. The framework integrates spatially explicit merchant selection using K-Dimensional (KD)-tree nearest-neighbor algorithms, temporally correlated anchor-based mobility simulation reflective of daily urban rhythms, and dietary-constraint filtering to preserve ecological validity in consumption patterns. In total, the system generates approximately 116 million mobility pings, 5.4 million transactions, and 1.9 million itemized purchases, yielding a reproducible benchmark for evaluating multimodal analytics, privacy-preserving computation, and secure IoT data-sharing protocols. To show the validity of this dataset, the underlying distributions of these residents were successfully validated against reported distributions in published research. We present preliminary uniqueness and cross-modal linkage indicators; comprehensive re-identification benchmarking against specific attack algorithms is planned as future work. This framework can be easily adapted to various scenarios of interest in Smart Cities and other IoT applications. By aligning methodological rigor with the operational needs of Smart City ecosystems, this work fills critical gaps in synthetic data generation for privacy-sensitive domains, including intelligent transportation systems, urban health informatics, and next-generation digital commerce infrastructures.

IoT↗
DOE OSTI2022

The Use of Thermal Cameras for Pedestrian Detection

Visible-range camera sensors have been widely used for pedestrian detection. However, most of the methods, which employ visible-range color cameras, do not perform well under low-light and no-light conditions, e.g. during night time. Since the working principle of thermal camera sensors is mainly based on temperature and not light, they have been employed for person detection to overcome the drawbacks of visible-range sensors under these conditions. Every object gives off thermal energy, which is captured by a thermal camera sensor. When an object becomes hotter, it emits more thermal energy, and is therefore captured as much brighter or vice versa. Yet, compared to visible-range cameras, there are many additional challenges that need to be addressed when detecting pedestrians from thermal camera images. These challenges include bright hot objects close to humans, similar pixel values in an image due to weather conditions, or objects that block thermal cameras such as concrete or glass. Glass acts like a mirror for infrared radiation and reflects whatever is in front of the camera. Thus, novel methods are still required to accomplish pedestrian detection task from thermal camera images. To contribute to these efforts, we propose a new method and a modified object detection network incorporating saliency maps of thermal camera images. The features obtained from thermal images and their corresponding saliency maps are combined to obtain richer representations of pedestrian regions, and better detection performance. We perform extensive evaluations on five different datasets to compare the performance of the proposed approach with two baselines. Moreover, we evaluate and compare the transferability of these approaches by doing leave-one-out cross validation across different datasets. Furthermore, the results show that the proposed approach outperforms the baselines, and has better transferability properties across different thermal image datasets.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Solar Radiation Research Laboratory (SRRL) Core Project Final Report: Fiscal Years 2022-2024

The Solar Radiation Research Laboratory (SRRL) at the National Laboratory of the Rockies (NLR) is a world-leading solar calibration and measurement facility and maintains and disseminates the World Radiation Reference (essentially the W/m2) for the United States that is essential for traceable and accurate measurements of solar radiation at all solar generation facilities. SRRL operates two calibration facilities that meet International Standards Organization-17025 (ISO-17025) standards and provide unique high-quality calibrations to NREL and other U.S. Department of Energy laboratories. The Baseline Measurement System (BMS) at SRRL provides a high-quality record of solar irradiance and surface meteorological conditions. SRRL capabilities are used to develop (1) improved methods for the calibration of solar radiometers; (2) new standards through the ISO, the International Electrotechnical Commission (IEC), and the American Standards for Testing of Materials (ASTM) International; (c) solar radiation and meteorological models; and (d) advanced instrumentation and methods for operating solar measurement stations. The SRRL datasets are also critical for the validation of new models and datasets, such as the National Solar Radiation Database (NSRDB). The research and development of solar radiation measurement systems and resource modeling techniques are essential for advancing the scientific basis for producing reliable resource data. Specifically, the spatial, temporal, and spectral (wavelength dependency) characteristics of the solar resource are required in several different time frames for various project phases.

14 SOLAR ENERGY↗
NASA NTRS2002

Intercalibration of Mars Global Surveyor Datasets

The calibration and validation of satellite soundings of atmospheric variables is always a difficult prospect, but this difficulty is greatly magnified when the measurements are made at a different planet, whose meteorology is poorly known and poorly constrained, and for which there are virtually no prospects of obtaining ground truth. The Mars Global Surveyor which has been circling Mars in its mapping orbit since early 1999 includes a variety of instruments capable of making atmospheric observations: the Thermal Emission Spectrometer (TES) which takes more than 100,000 nadir-view infrared spectra per day (although these observations are confined to the 2am - 2pm time of the sun-fixed orbit); much less frequent TES limb scans (still only at 2am and 2pm); the Mars Horizon Sensor Assembly measures side-looking broadband 15 micrometer radiation; Radio Science occultations at favorable seasons give high resolution temperature profiles; the Mars orbiter Camera and Mars Orbiter Laser Altimeter have made water, dust, and carbon dioxide cloud detections. These observations are now being supplemented by high-resolution 15 micron measurements by THEMIS on Mars Odyssey. Thus, all of these observations are made at different times and places. Data assimilation techniques are being used to fuse this vast array of observations into a single dataset that best represents our understanding of the Martian atmosphere, its current meteorological state, and the relevant instrumental properties.

Houben, Howard↗
DOE OSTI2022

Data-Driven and Multiscale Modeling of DNA-Templated Dye Aggregates

Dye aggregates are of interest for excitonic applications, including biomedical imaging, organic photovoltaics, and quantum information systems. Dyes with large transition dipole moments (μ) are necessary to optimize coupling within dye aggregates. Extinction coefficients (ε) can be used to determine the μ of dyes, and so dyes with a large ε (>150,000 M –1 cm –1 ) should be engineered or identified. However, dye properties leading to a large ε are not fully understood, and low-throughput methods of dye screening, such as experimental measurements or density functional theory (DFT) calculations, can be time-consuming. In order to screen large datasets of molecules for desirable properties (i.e., large ε and μ), a computational workflow was established using machine learning (ML), DFT, time-dependent (TD-) DFT, and molecular dynamics (MD). ML models were developed through training and validation on a dataset of 8802 dyes using structural features. A Classifier was developed with an accuracy of 97% and a Regressor was constructed with an R2 of above 0.9, comparing between experiment and ML prediction. Using the Regressor, the ε values of over 18,000 dyes were predicted. The top 100 dyes were further screened using DFT and TD-DFT to identify 15 dyes with a μ relative to a reference dye, pentamethine indocyanine dye Cy5. Two benchmark MD simulations were performed on Cy5 and Cy5.5 dimers, and it was found that MD could accurately capture experimental results. The results of this study exhibit that our computational workflow for identifying dyes with a large μ for excitonic applications is effective and can be used as a tool to develop new dyes for excitonic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2026

Hydrology Copilot: A Cloud-Native Ai System for Hydrological Data Analysis

The emergence of AI-driven Earth observation systems promises to broaden access to petabyte-scale geospatial data beyond domain specialists. However, translating this vision into operational scientific infrastructure requires addressing fundamental challenges in data virtualization, code transparency, and domain-specific reasoning. We present Hydrology Copilot, a cloud-native AI framework for natural-language-driven analysis of Earth observation data. To demonstrate operational capabilities at scale, we implement the system using NASA's North American Land Data Assimilation System version 3 (NLDAS-3), which provides surface meteorological forcing and land-surface model output across North and Central America at 1-km resolution, from which drought diagnostics are derived. The system integrates five core contributions: (1) scalable data virtualization using Kerchunk-based cloud optimized access, achieving a 1.5 to 4.6 times improvement in I/O latency across benchmark queries spanning regional single-day extractions (4.6 times speedup) to continental monthly aggregations (1.5 times speedup); (2) transparent code generation through Microsoft Azure AI Foundry agents that expose executable Python workflows for scientific verification; (3) persistent conversational memory enabling multi-turn analytical discourse across sessions; (4) intelligent query validation that enforces dataset boundaries and resolves ambiguous requests before execution; and (5) a multi-agent architecture coordinating query parsing, code generation, and visualization. We evaluate the system through drought-monitoring workflows, demonstrating reliable code generation, accurate results validated against reference computations and the operational U.S. Drought Monitor, and efficient operation across increasingly complex tasks. By bridging natural-language interfaces with rigorous hydrological analysis, Hydrology Copilot advances beyond proof-of-concept demonstrations to provide a deployable framework for operational Earth science applications.

Data virtualization↗