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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Design Requirements and Software Specification for the Autonomous Energy Management Software System for Small Commercial Buildings

Commercial buildings are responsible for approximately 20 percent of the total United States energy consumption and greenhouse gas emissions. Over 85 percent of these buildings lack building automation systems. Many of these buildings are small (<50,000 square feet), underserved, and use rooftop units for heating, ventilation, and air-conditioning needs. Because these buildings lack proper energy management systems, they have several operational deficiencies that lead to excess energy consumption. Studies have shown that managing the rooftop units heating and cooling set points, schedules, setbacks, and optimal start can result in 20 to 25 percent reduction in electricity consumption in small commercial buildings. In addition, improving demand flexibility of these buildings will result additional cost savings for the building owner. Therefore, the Department of Energy’s Building Technologies Office approved a project to address the needs for small commercial buildings. The project is led by Pacific Northwest National Laboratory (PNNL) with Intellimation LLC as the cooperative research and development agreement partner. The primary goal of the project is to develop and validate an autonomous energy management software (AEMS) system that will continuously optimize small commercial building operations by minimizing energy consumption and cost, while providing a solution for maximizing decarbonization benefits from electrification of buildings. The work will leverage the vast experience of PNNL research and development staff who have over two decades of experience in developing and successfully transferring software technologies to the private sector. This solution will be jointly developed with Intellimation, a company that plans to use it to scale their building energy efficiency (EE) and grid services offering. Widespread deployment of the AEMS system will improve the EE and demand flexibility of the building commercial building stock. It should also support cities and states in meeting their climate change mitigation goals. This document describes the various EE and grid service features of the AEMS system, infrastructure and data required to implement those features, and how the features should be automated. It also details how the various features will be tested and validated, including field validation. The document also details what flexibility the users have and how they will be able to leverage those capabilities exercise those. The intent is to create an AEMS system that would support scalable deployment, requires minimal configuration, and is easy to maintain over its expected lifespan. The initial alpha release of AEMS system is planned for March 2023, and the beta release is planned for the summer of 2023. The final release is planned for March 2024. Section 2 of the report documents the relevant building types that AEMS is suitable for. Section 3 documents EE features that will be supported. It will also include the data requirements, hardware requirements, implementation details, and how EE features will be tested and validated. Grid service features will be documented in section 4, including data requirements, hardware requirements, implementation details, and how the services will be tested and validated. Planned next steps are described in section 5.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

ORNL Package Testing Program Software Quality Assurance Plan

The Oak Ridge National Laboratory (ORNL) Package Testing Program (PTP) uses commercial off-the-shelf (COTS) software in performing data collection of thermal test results for package designs that contain radioactive materials. Specifically, this software is used to collect temperature data from the furnace, packages, and ambient air to prepare and execute the thermal test specified in 10 CFR 71.73, “Thermal Test.” This software quality assurance (SQA) plan sets forth the guidelines, standards, and procedures that shall be used to provide SQA for PTP software applications. This is a living document that will be maintained for the lifecycle of the PTP program. The SQA plan follows the requirements set forth in ORNL Standards Based Management System (SBMS): Information Technology; Subject Area: Software Quality Assurance. When applicable to the requirements as described in ORNL SBMS, Software Quality Assurance, the software shall be listed in the ORNL Software Registration System (SRS). Exemptions to this SBMS are COTS and firmware that are not modified; spreadsheet applications and personal productivity tools that do not have a utility or safety application, research applications, legacy software, system software, vendor-supplied software used to interface with the vendor’s services, software used within the organization to facilitate processing or management of information, and software developed for applications not specific to the US Department of Energy (DOE).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

High Energy Physics Research at the Energy Frontier with the CMS Experiment

The physics analysis goals are to continue improving upon the search for the Higgs to dimuon decay using the CMS experiment at the LHC to further improve the Higgs coupling measurement with the additional data from LHC Run 3, and to explore searches for long-lived particles that reach the muon system of CMS using new Level-1 muon triggers the group is developing. An additional physics goal is to further develop the science case for a novel muonion collider. The experimental goals are to continue operational support of the CMS Endcap Muon Track Finder, a key component of the CMS Level-1 trigger system. The group also proposes to continue its leadership role in muon triggering for the HL-LHC upgrade through algorithm and electronics R&D. Finally, Acosta will continue as CMS Trigger Co-Coordinator responsible for the High Level Trigger system of CMS, lead the EMTF project, and serve as USCMS Trigger Operations Level-2 manager.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Model data for infrastructure-aware simulation of compound flooding at Alligator Bayou Watershed, southeast Texas

This dataset supports infrastructure-aware hydrologic modeling and flood scenario analysis for the Alligator Bayou Watershed, a highly managed urban watershed in Southeast Texas. It includes Jupyter notebooks for figure reproduction, model configuration files, simulation outputs, and derived products used to quantify the influence of engineered stormwater infrastructure on flood behavior across multiple spatial scales. The dataset was generated using the Watershed Workflow Python package and the Advanced Terrestrial Simulator (ATS), enabling integrated surface–subsurface hydrologic simulations on a channel-aligned mesh with explicit representations of pump stations, gate structures, detention basins, and impervious surfaces. Outputs include time series of gate and pump flows, stage observations, and water balance components, as well as spatially explicit fields of peak ponded depth and flood duration across multiple infrastructure scenarios spanning a single-location detention basin expansion, distributed drainage limitations, and compound coastal flooding. These data facilitate full reproducibility of the manuscript figures and support further research on urban flood dynamics and the role of stormwater infrastructure in shaping watershed-scale flood response.

EARTH SCIENCE > OCEANS > COASTAL PROCESSES↗

DOE OSTI2026

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

AmeriFlux FLUXNET-1F US-PFg NE1 Pine-2 CHEESEHEAD 2019

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-PFg NE1 Pine-2 CHEESEHEAD 2019. This is the FLUXNET version of the carbon flux data for the site US-PFg NE1 Pine-2 CHEESEHEAD 2019 produced by applying the standard ONEFlux (1F) software. Site Description - This tower (32m, trailer-based, telescoping) is located in the northeastern quadrant of the 10 x 10km study domain. It is located in a forest with red pine (~32m) overstory and maple (10-15m) understory.

Desai, Ankur [University of Wisconsin-Madison]↗

DOE OSTI2026

Aligning NASA Earth Science Data Stewardship with FAIR Principles: Outcomes, Recommendations, and Future Directions

The FAIR Principles—Findable, Accessible, Interoperable, and Reusable—offer a widely accepted framework for improving the sharing and reuse of digital scientific data by both human and machine users. Following these principles is critical for effective scientific data stewardship, broader scientific collaboration, and compliance with federal and agency data policies. This paper, based on the work of NASA’s Open, Free, and FAIR Working Group (O’FAIR WG) under the Earth Science Data Systems Program, presents an overview of how FAIR is being applied within NASA’s Earth science data landscape. It highlights ongoing progress and challenges, identifies FAIR-enabling resources, and offers recommendations and strategic actions to enhance the FAIRness of NASA-funded open and free Earth science data products. The FAIR-enabling resources identified underscore the vital role of NASA's existing enterprise processes, standards, tools, and infrastructures in supporting FAIR implementation. Our findings show strong performance in making NASA Earth science data more findable and accessible. However, further work is needed—especially in enhancing interoperability, so that different systems and tools can better understand and exchange data. This is especially important for enabling machine-driven discovery and analysis. We emphasize the importance of a balanced strategy that combines a centralized, top-down approach—focused on building enterprise-level capabilities and processes—with a decentralized, bottom-up approach driven by discipline-specific needs and community practices. We advocate for coordinated efforts to enhance (meta)data interoperability to facilitate seamless data and information sharing and exchange of Earth science data both within NASA and across other agencies managing Earth science data.

Data Product↗

DOE OSTI2020

Application of Numerical Atmospheric Models

In this study, a numerical modeling framework for simulating extreme storm events was established using the Weather Research and Forecasting (WRF) model. Such a framework is necessary for the derivation of engineering parameters such as probable maximum precipitation that are the cornerstone of large water-management infrastructure design. Here, this framework was built based on a heavy storm that occurred in Nashville, Tennessee (U.S.), in 2010, and verified using two other extreme storms. To achieve the optimal setup, several combinations of model resolutions, initial/boundary conditions (IC/BC), cloud microphysics, and cumulus parameterization schemes were evaluated using multiple metrics of precipitation characteristics. The evaluation suggests that WRF is most sensitive to the IC/BC option. Simulation generally benefits from finer resolutions up to 5 km. At the 15 km level, NCEP2 IC/BC produces better results, whereas NAM IC/BC performs best at the 5 km level. The recommended model configuration from this study is: NAM or NCEP2 IC/BC (depending on data availability), 15 km or 15–5 km nested grids, Morrison microphysics, and Kain-Fritsch cumulus schemes. Validation of the optimal framework suggests that these options are good starting choices for modeling extreme events similar to the test cases. This optimal framework is proposed in response to emerging engineering demands of extreme storm event forecasting and analyses for design, operations, and risk assessment of large water infrastructures.

Chen, Xiaodong↗

DOE OSTI2024

Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming

The project Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The Wyoming Carbon Underground Storage Project (WY-CUSP) consisted of CO2 storage site characterization and evaluation, focusing on Wyoming’s most promising CO2 storage reservoirs (the Pennsylvanian Weber/Tensleep Sandstone and Mississippian Madison Limestone) and premier CO2 storage site (Rock Springs Uplift). Results from the WY-CUSP project suggest the two reservoirs could store up to 17,000 million tons of CO2. The WY-CUSP team drilled a stratigraphic test well and acquired a 3-D seismic survey covering 25 square miles of the Rock Springs Uplift site. The team retrieved 916 feet of core from the 12,810-foot-deep well, along with a complete log suite, borehole images, fluid samples, and other data. Project partners (1) provided continuous visual documentation of the core, including grain size, mineralogy, facies distribution, and porosity; (2) performed continuous permeability and velocity scans of selected reservoir intervals; and (3) chemically analyzed the fluid samples. WY-CUSP scientists integrated seismic attributes with observations from log suites, a VSP survey, core, fluid samples, and laboratory analyses, including continuous permeability scans. From these integrations, researchers constructed 3-D spatial distribution volumes of reservoir and seal properties that represent geological heterogeneity at the targeted CO2 storage site. The WY-CUSP team used this data to perform new CO2 plume migration simulations. Baker Hughes, Inc., completed a series of small-scale, in-situ water injectivity measurements. A database was formed when observations, analyses, and experiments from the stratigraphic test well were integrated. Correlation of these data allowed petrophysical parameters to be extrapolated from the test well out into the storage domain (5x5 mile 3-D seismic survey volume). This resulted in an improved, realistic understanding of performance assessments for potential CO2 storage scenarios. The WY-CUSP team worked on (1) improving CO2 storage resource estimates, (2) establishing long-term integrity and permanence of confining layers, (3) designing a profitable strategy for pressure management, and (4) evaluating the utilization of stored CO2 at the Rock Spring Uplift. Finally, Baker Hughes developed a microseismic baseline for the test site using in-bore geophones to complete field operations.

3-D seismic↗

DOE OSTI2022

Enabling Sustainable Landscape Design for Continual Improvement of Operating Bioenergy Supply Systems

This unique and highly effective project catalyzed collaboration among government, university, and private sector partners through a multi-state research and technology transfer project designed to support continuous improvement of bioenergy feedstock supply systems. Conceived and built upon the foundation created by prior DOE investments in the Billion Ton Study, Sun Grant Regional Project, and many other feedstock production, harvest, storage and transportation studies, this project addressed seven tasks with more than 29 subtasks. All goals were met with key accomplishments being: (1) on-farm establishment of potential perennial plant mixtures that could not only become sustainable feedstock sources but also enhance soil health, (2) a reduction in potential wind and water erosion by improving corn stover harvest techniques and incorporating cover crops into current row-crop production systems, (3) reduced potential for surface and groundwater contamination while also increasing potential biodiversity and sustainability of Midwestern USA landscapes, and (4) development of site-specific land management, data visualization, and sustainability assessment tools. Twenty-two Case Studies highlighting accomplishments and lessons learned through this public-private partnership investment are incorporated into this final report. On-farm and replicated field plot studies were used to provide the real-world data needed to verify baseline assumptions for extensive feedstock logistic modeling and greenhouse gas (GHG) assessments needed to develop sustainable bioenergy and bio-product industries at national and international scales.

09 BIOMASS FUELS↗

DOE OSTI2025

Enhancing Security and Resiliency in Operational Technology Environments Through Network Slicing and Federated Learning

The growing convergence of Information Technology (IT) and Operational Technology (OT) within Industry 4.0 environments has introduced new demands on industrial network infrastructure. As cyber-physical systems become increasingly interconnected, ensuring the secure, timely, and efficient exchange of critical data is essential. This thesis explores how network slicing, a method of creating isolated virtual network segments, can be applied within OT environments to address challenges such as latency, security, and resource allocation. The first research question addressed in this thesis is: How can OT networks take advantage of NFV and SDN technology to become cyber resilient? This study examines the operational, security, and architectural implications of introducing network slicing into traditionally static OT infrastructures such as Industrial Control Systems (ICS) and SCADA. Through simulated deployments and case studies, the research demonstrates how slicing enables better isolation between critical and non-critical services, thereby improving response time, throughput, and security in sensitive environments. The second question considers: How to dynamically implement network slicing and take advantage of network resources towards integrating decentralized machine learning? In response, this thesis proposes a framework that combines Software-Defined Networking (SDN), Network Function Virtualization (NFV), and Federated Learning (FL) to enable real-time analytics while maintaining data locality. The proposed approach reduces the burden on centralized infrastructure and minimizes privacy risks by supporting on-site training of models across distributed OT nodes, coordinated through dynamically allocated network slices. The third focus explores: How slicing helps to increase the resiliency of OT networks through the orchestration of a dynamic DMZ? To answer this, the thesis presents a method for creating and managing Dynamic Demilitarized Zones (DMZs) using network slicing. This enables flexible and automated isolation of sensitive subsystems during threat scenarios or high-risk operations. Coupled with intelligent orchestration and containerized security services, the dynamic DMZ significantly enhances the system's ability to respond to cyber incidents without halting production. Ultimately, this thesis contributes a comprehensive architecture that blends network slicing with machine learning, secure segmentation, and automation, paving the way for resilient, adaptive, and intelligent OT environments. Performance evaluations across multiple scenarios show improvements in system reliability, threat response time, model accuracy, and resource utilization, providing a strong foundation for future industrial automation systems.

Rodiles Delgado, Brian G↗

DOE OSTI2025

Bayesian modeling of traffic-related air pollutants: A case study of urban transportation and air quality dynamics in Columbia, South Carolina

Traffic emissions significantly impact near-road air quality and public health. This research applies a Bayesian modeling framework to investigate these impacts using high-resolution traffic and air pollutant data from an urban corridor in Columbia, South Carolina. Despite a data collection period truncated by the COVID-19 lockdown, the Bayesian approach successfully identified significant predictors and quantified model uncertainty. Employing Bayesian Model Selection and Averaging enhanced prediction accuracy and evaluated model uncertainty. Findings indicate that higher temperatures and increased moisture levels elevate particulate matter (PM 1.0 , PM 2.5 , PM 10 ) concentrations, while traffic speed significantly affects nitrogen dioxide (NO 2 ) levels. Specifically, higher average traffic speeds (indicative of smoother flow) correspond to lower NO 2 concentrations, suggesting that less congested conditions reduce NO 2 emissions. This study highlights the robustness of Bayesian methods for generating reliable air quality insights even under data-constrained conditions. The findings underscore the importance of traffic flow management (e.g., reducing congestion) for mitigating near-road NO 2 exposure and provide a basis for developing targeted public health strategies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Why don't we share data and code? Perceived barriers and benefits to public archiving practices

The biological sciences community is increasingly recognizing the value of open, reproducible and transparent research practices for science and society at large. Despite this recognition, many researchers fail to share their data and code publicly. This pattern may arise from knowledge barriers about how to archive data and code, concerns about its reuse, and misaligned career incentives. Here, we define, categorize and discuss barriers to data and code sharing that are relevant to many research fields. We explore how real and perceived barriers might be overcome or reframed in the light of the benefits relative to costs. By elucidating these barriers and the contexts in which they arise, we can take steps to mitigate them and align our actions with the goals of open science, both as individual scientists and as a scientific community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2025

AmeriFlux US-MEF Manitou Experimental Forest

This is the AmeriFlux version of the carbon flux data for the site US-MEF Manitou Experimental Forest. Site Description - This site was established on an existing 30-m tower structure at the Forest Service's Manitou Experimental Forest, Colorado. Manitou Experimental Forest is located approximately 38 km northwest of Colorado Springs, within the Pike National Forest. The tower was constructed and used between 2008 and 2013 by NCAR for the BEACHON project and has line power and internet connections. The tower is located in approximately 12 km^2 of ponderosa pine forest and savannah with a land use history of thinning and prescribed burning, though these disturbances have not occurred for many years. The tower is situated in a broad, flat valley that drains to the north. Early research at the site was focused mainly on grazing, while more recently it has turned broadly to the ecology and management of ponderosa pine ecosystems. In 2002, the Hayman Fire burned approximately 56,000 ha to the west and northwest of the tower location.

Frank, John [US Forest Service, Rocky Mountain Res↗

DOE OSTI2024

M3SF-24LL010302062-NEA-TDB Management and International Collaborations in Sorption and Thermodynamic Modeling

This progress report (Level 3 Milestone Number M3SF-24LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Work Package Number SF-24LL01030206. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA-TDB) Project and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. A continuing focus for FY24 efforts is to support the US participation in the NEA-TDB effort. The focus of FY24 activities was the development of an agreement for a Phase 7 activity that will start in Q1 of 2025. Mavrik Zavarin is now the US representative on both the Management Board and the Executive group to the NEA-TDB. He is also the POC for the Cements State of the Art Report that is undergoing peer review in FY24. In FY24, we used our position on the NEA-TDB MB and EG to facilitate the integration of NEA-TDB thermochemical data with LLNL’s SUPCRTNE thermodynamic database that supports the SFWST GDSA activities. This effort is coordinated with the Argillite work package SUPCRTNE database development efforts (Wolery, 2024). The goal is to provide a downloadable database that will be hosted on LLNL’s thermodynamics website which incorporates NEA-TDB data into the LLNL database where appropriate. We also began engagement with the EURAD2 program that was initiated in FY24 by our European collaborators at the Karlsruhe Institute of Technology (KIT), Germany. The primary focus of the engagement is with WP20: DITUSC Thermodynamic database evaluation program. A kickoff meeting for this activity is planned for early FY25. Finally, we have been selected to co-host (with Clemson University) the International Conference on Chemistry and Migration Behaviour of Actinides and Fission Products in the Geosphere in 2025 (Migration2025). The meeting will be held September 21-26, 2025, in New Orleans, Louisiana, and will focus on international efforts to understand the risks of radionuclide releases into the environment. This central focus of this conference is on international efforts to develop safe disposal options for nuclear wastes. As such, we are developing a theme focused on US underground nuclear waste repository science.

58 GEOSCIENCES↗

DOE OSTI2025

Reference Fuel Development for Non-Aluminum Spent Nuclear Fuel Management

The Savannah River Site (SRS) L Area Facility provides for the safe receipt, storage, handling, and shipping of spent nuclear fuel (SNF) and has received more than 47,000 SNF assemblies since 1964. In order to consolidate receipt and storage analysis, L Area criticality safety has historically used several aluminum-clad “reference fuels” to establish bounding storage, handling, and cask loading limits and then applied a reactivity comparison approach to demonstrate that candidate fuels may be processed under the reference fuel limits. Currently, only aluminum-clad SNF from off-site research reactors are transferred on-site. The Accelerated Basin De-Inventory (ABD) program will begin the removal of bundled Non-Aluminum Spent Nuclear Fuel (NASNF) from the L Area disassembly basin for dissolution and disposition, which has driven the need for a non-aluminum reference fuel. This paper discusses the process and results of creating a new fictional homogenous NASNF highly enriched uranium reference fuel, “MITZ,” to be used in nuclear criticality safety evaluations for upcoming SNF disposition operations. Data demonstrating the relationship between neutron multiplication behavior and fuel spacing is generated for the new reference fuel MITZ as well as existing reference fuels representing several types of SNF assemblies.

Reference Fuel↗

DOE OSTI2025

Reference Fuel Development for Non-Aluminum Spent Nuclear Fuel Management

Reference Fuel↗

DOE OSTI2021

Broad Distribution of Local Polar States Generates Large Electrothermal Properties in Pb-Free Relaxor Ferroelectrics

Electrothermal energy conversion provides attractive solutions for global energy management, such as energy harvesting from waste heat using pyroelectric energy conversion (PEC) and efficient cooling of portable electronics or data servers using the electrocaloric effect. Relaxor ferroelectrics are attractive for electrothermal energy conversion because of their large pyroelectric coefficients over a wide temperature range. Although Pb-based relaxors are well-known, toxicity concerns have mandated the intense search for Pb-free alternatives. Here, we engineered (Ba,Ca)TiO 3 -based relaxors based on a multisite doping strategy, which show promising electrothermal performance, viz. a maximum PEC efficiency of 14% and electrocaloric refrigeration capacity of 115 J/kg. Using local-scale structural analysis, we provide an atomistic model for large electrothermal properties in the newly designed Pb-free ferroelectrics, whereby a temperature-independent continuous distribution of cation displacement directions creates easy pathways for microscopic polarization reorientation. This research provides key structural insight for future atomic-scale engineering of environmentally sustainable ferroelectrics in energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗