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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 sources NASA NTRS DOE OSTI

DOE OSTI2022

Dynamic Decarbonization through Autonomous Physics-Centric Deep Learning and Optimization of Building Operations (Abstract only)

This project directly addresses the primary goal of Area of Interest 2 in the CRADA call: to advance optimization-based integrated energy management systems in commercial and residential buildings. Pacific Northwest National Laboratory (PNNL) and its industry partner PassiveLogic aim to accomplish this by reaching three key objectives. First, to ensure a broad impact in the building controls industry, PNNL will extend its open-source library for predictive control synthesis by augmenting its capabilities with data-driven self-learning of building models and auto-calibration of predictive controllers. The effort will focus on building use cases selected in collaboration with PassiveLogic. The team will specifically address the development of methods for data-driven adaptation of building models, investigation of model architectures that best address specific building types, and automated synthesis of differentiable predictive controllers that optimize diverse objectives. Second, PNNL will collaborate with PassiveLogic to integrate the aforementioned methods with PasiveLogic’s advanced controls platform. The collaborative integration effort will inform the developments under the first objective by providing specific data on the attainable performance of model learning on resource-constrained edge computing platforms. This software integration effort will increase the technical maturity of the developed libraries by exploring the use of software integration tools and methods. Third, PNNL and PassiveLogic will work to improve the technology readiness of the developed predictive controllers by testing their performance in relevant test environments, such as high-fidelity simulation, hardware in the loop, and actual test buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

District-Scale Analysis of Electricity Load and Strategies to Improve Energy Reliability Using Prototype District Models

Projected increases in electricity demand in the U.S. highlight the urgent need for effective load management to ensure grid reliability. As the building sector accounts for approximately 75% of electricity usage, enhancing energy efficiency and flexibility in this sector is crucial. Adopting district-level approaches offers significant advantages over traditional individual building analyses by enabling shared infrastructure and economies of scale. To navigate the data and computational challenges associated with modeling energy at the district level, prototype district models have been proposed as holistic, system-level solutions that capture complex interactions within typical configurations. This study presents these models as a reference tool for analyzing district-scale energy systems across various climate zones in the U.S. Developed with input from stakeholders, these models integrate varied building characteristics, inter-building connections, and energy system interactions. A case study utilizing the Urban Edge prototype district model, implemented on the URBANopt™ platform, evaluates multiple demand scenarios and the impact of distributed energy resources such as fuel-fired backup generators, photovoltaic systems, and batteries. Findings suggest that while new electric systems can significantly reduce annual energy use, they may also elevate peak electricity loads, with a notable 43% increase in heating-dominant climate zone 5B. The optimal backup power solutions vary based on location, influenced by factors such as utility rates and incentives. For example, PV and batteries perform well in high-cost regions like New York City, while diesel backup generators are more suitable for backup needs in climate zone 3A, such as Atlanta. Thus, this research highlights the importance of prototype district models for future district-scale energy planning.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

A Framework for Lattice QCD Calculations on GPUs

Efficient calculation of the greatest common divisor (GCD) for big integers each whose number of bits is greater than or equal to 1024 has drawn a considerable amount of attention because it can be used to detect a weakness of the RSA security infrastructure. This paper presents a parallel binary GCD algorithm and its implementation for big integers on the Intel Xeon Phi coprocessor. This algorithm is capable of computing GCDs efficiently on many pairs of big integers in parallel by utilizing all cores on a Xeon Phi coprocessor as well as taking advantage of all vector processing units of the coprocessor to speed up critical integer operations within the algorithm. Using 240 threads on a Xeon Phi coprocessor to carry out GCD calculations for a large amount of 2048-bit integers, the implementation achieves the speedup of 30 times over a sequential binary GCD algorithm implementation on a single CPU core, and it delivers twice amount of performance in comparison to the same sequential binary GCD implementation running on 240 threads of the Xeon Phi.

Winter, F. T.↗

DOE OSTI2025

Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry

Fragment-based quantum chemistry methods offer a way to sidestep the steep nonlinear scaling of electronic structure calculations so that large molecular systems can be investigated using high-level methods. Here, we use fragmentation to compute protein–ligand interaction energies in systems with several thousand atoms, using a new software platform for managing fragment-based calculations that implements a screened many-body expansion. Convergence tests using a minimal-basis semiempirical method (HF-3c) indicate that two-body calculations, with single-residue fragments and simple hydrogen caps, are sufficient to reproduce interaction energies obtained using conventional supramolecular electronic structure calculations, to within 1 kcal/mol at about 1% of the computational cost. We also demonstrate that the HF-3c results are illustrative of trends obtained with density functional theory in basis sets up to augmented quadruple-ζ quality. Strategic deployment of fragmentation facilitates the use of converged biomolecular model systems alongside high-quality electronic structure methods and basis sets, bringing ab initio quantum chemistry to systems of hitherto unimaginable size. This will be useful for generation of high-quality training data for machine learning applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Low-cost Retrofit Kit for Integral Reciprocating Compressors (IRCs) to Reduce Emissions and Enhance Efficiency

Methane emissions from natural gas engines within the oil and gas industry pose a significant environmental challenge, contributing approximately 34.1 MMTCO2 eq to the total of 239 MMTCO2 eq of methane emissions in 2021, according to the EPA report. In response to this pressing issue, a collaborative effort involving the University of Oklahoma and key industry partners—WAGO Automation, Mid Continental Rental, Elipsa, and Perscient—has resulted in the development of a retrofit kit designed to reduce emissions from integral reciprocating compressors (IRCs), which are integrated compressors and engines. The retrofit kit developed comprises an Air Management System (AMS), Integrated Sensors, and a Cloud-Connected Control Unit with Graphical User Interface (GUI)/Human-Machine Interface (HMI). This solution enhances operational efficiency, reduces emissions, and expands the operational envelope of IRCs in the natural gas industry. The project successfully completed all tasks, including the installation of a full-size IRC at a designated site in Oklahoma, the development of an optimized AMS, integration of sensors, and implementation of a data acquisition system. Significant achievements include a notable reduction in CH 4 emissions, up to 84% at specific loads, and the successful deployment of the retrofit kit in diverse field conditions. The system's capabilities were enhanced through the creation of a feedback control algorithm for the AMS using a correlation matrix illustrating relationships between engine parameters, and the design of a predictive and preventive maintenance platform. The project concluded with the deployment of the entire retrofit kit to another location, confirming its effectiveness in reducing emissions and enhancing IRC performance. The comprehensive solution offers valuable benefits for IRCs, making them invaluable assets in the natural gas industry.

03 NATURAL GAS↗

DOE OSTI2022

Spiner vs EOSPAC6: capabilities, performance, and accuracy considerations

The Cross-Cutting Capabilities Project (XCAP) has significant interest in collecting and implementing a common set of libraries to be used across the various production hydro-codes at LANL. A common set of libraries will help facilitate comparisons between codes. In addition to minimizing variables for comparisons and physics validation, efforts toward optimization and porting of packages for future architectures will be more efficient. As part of this push Singularity is being considered as an inclusive materials interface library. One crucial part of this library is the importing, inverting, and interpolation of equation of state (EOS) data. Currently the Lagrangian Applications Project (LAP) and Safety Applications Project (SAP) are using EOSPAC6 for delivery EOS data. The Eulerian Applications Project (EAP) has historically used TEOS and more recently an implementation of Singularly via a package called Spiner for EOS interpolation. Singularity currently has the option of using several analytical EOS models, directly employing SESAME via Spiner, or directly using SESAME via EOSPAC6 (not optimized yet). Assuming Singularity moves forward as a common platform for the implementation of materials models, a decision will need to be made on which EOS interpolation package XCAP should move forward with, given resources and people are finite. We will attempt to address pros and cons of Spiner and EOSPAC6 and the trade-offs that should be considered during the decision making process. This report is intended as an ASC-PEM-EOS perspective on what is needed in an EOS interpolation package. Performance and Accuracy sections will mostly address data from comparison studies in LA-UR-22-22699.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2021

Evaluating the Feasibility of Transactive Approach for Voltage Management Using Inverters of a PV Plant

This article evaluates the feasibility of a double-auction-based Transactive Energy System (TES) for engaging the reactive power (Var) capability of inverters in a utility-scale pho¬tovoltaic (PV) plant for voltage management in distribution feed¬ers. In this approach, a PV plant owner (seller) provides Var supply curves in terms of price-quantity pairs consider¬ing the inverters’ P-Q capability, efficiency, opportunity cost for real power curtail¬ment, losses, etc. At the same time, the utility (buyer) proposes Var demand curves in price-quantity pairs exhibiting the marginal price of Var. Then, market clearing points are obtained from the intersection points of supply and demand curves which are then used to create Var dispatch sig-nals from the PV plant. To conduct a fea¬sibility study of this approach, an Australian distribution network with a utility-scale PV plant (capacity 3.275 MWP) is modeled in RSCAD and simu¬lated in real-time on MATLAB, RSCAD-RTDS co-simulation platform using real historical data. Consid¬ering a use case, namely, conservation voltage reduction (CVR), the operational feasibility along with cost-benefit analysis is demonstrated in software-in-the-loop (SIL) and hardware-in-the-loop (HIL) platform. Another use case, exploring the benefit from tap-change reduction of step-voltage-regulator, is investigated. These studies explore further use cases, e.g., PV hosting capacity, network reconfiguration, etc., to be incorporated in TES for experiencing substantial economic benefits.

Alam, Mollah Rezaul↗

DOE OSTI2017

Building Energy Management Open Source Software

This is the repository for Building Energy Management Open Source Software (BEMOSS), which is an open source operating system that is engineered to improve sensing and control of equipment in small- and medium-sized commercial buildings. BEMOSS offers the following key features: (1) Open source, open architecture – BEMOSS is an open source operating system that is built upon VOLTTRON – a distributed agent platform developed by Pacific Northwest National Laboratory (PNNL). BEMOSS was designed to make it easy for hardware manufacturers to seamlessly interface their devices with BEMOSS. Software developers can also contribute to adding additional BEMOSS functionalities and applications. (2) Plug & play – BEMOSS was designed to automatically discover supported load controllers (including smart thermostats, VAV/RTUs, lighting load controllers and plug load controllers) in commercial buildings. (3) Interoperability – BEMOSS was designed to work with load control devices form different manufacturers that operate on different communication technologies and data exchange protocols. (4) Cost effectiveness – Implementation of BEMOSS deemed to be cost-effective as it was built upon a robust open source platform that can operate on a low-cost single-board computer, such as Odroid. This feature could contribute to its rapid deployment in small- or medium-sized commercial buildings. (5) Scalability and ease of deployment – With its multi-node architecture, BEMOSS provides a distributed architecture where load controllers in a multi-floor and high occupancy building could be monitored and controlled by multiple single-board computers hosting BEMOSS. This makes it possible for a building engineer to deploy BEMOSS in one zone of a building, be comfortable with its operation, and later on expand the deployment to the entire building to make it more energy efficient. (6) Ability to provide local and remote monitoring – BEMOSS provides both local and remote monitoring ability with role-based access control. (7) Security – In addition to built-in security features provided by VOLTTRON, BEMOSS provides enhanced security features, including BEMOSS discovery approval process, encrypted core-to-node communication, thermostat anti-tampering feature and many more. (8) Support from the Advisory Committee – BEMOSS was developed in consultation with an advisory committee from the beginning of the project. BEMOSS advisory committee comprises representatives from 22 organizations from government and industry.

Source record↗

DOE OSTI2019

Smart Proxy Modeling of SACROC CO2-EOR

Large CO2-enhanced oil recovery (EOR) projects usually contain an abundance of geological and good performance data. While this volume of data leads to robust models, it often results in difficult to manage, slow-running numerical flow models. To dramatically reduce the numerical run-times associated with the traditional simulation techniques, this work investigated the feasibility of using artificial intelligence and machine learning technologies to develop a smart proxy model of the Scurry Area Canyon Reef Operators Committee (SACROC) oilfield, located in the Permian Basin, TX, USA. Smart proxy models can be used to facilitate injection-production optimization for CO2-EOR projects. The use of a coupled grid-based, and well-based surrogate reservoir model (SRM) (also known as smart proxy modeling) was investigated as the base of the optimization. A fit-for-purpose coupled SRM, which executes in seconds, was built based on high-resolution numerical reservoir simulation models of the northern platform of the SACROC oilfield. This study is unique as it is the first application of coupled SRM at a large oilfield. The developed SRM was able to identify the dynamic reservoir properties (pressure, saturations, and component mole-fraction) at every grid-block, along with the production characteristics (pressure and rate) at each well. Recent attempts to use machine learning and pattern recognition to build proxy models have been simplistic, with limited predictive capabilities. The geological model used in this study is comprised of more than nine million grid blocks. The high correlation between the actual component and SRM, which can be visualized by mapping the properties, along with the fast footprint of the developed model demonstrate the successful application of this methodology.

Vida, Gholami↗

NASA NTRS2019

Evaluating Combinations of Sentinel-2 Data and Machine-Learning Algorithms for Mangrove Mapping in West Africa

Creating a national baseline for natural resources, such as mangrove forests, and monitoring them regularly often requires a consistent and robust methodology. With freely available satellite data archives and cloud computing resources, it is now more accessible to conduct such large-scale monitoring and assessment. Yet, few studies examine the reproducibility of such mangrove monitoring frameworks, especially in terms of generating consistent spatial extent. Our objective was to evaluate a combination of image processing approaches to classify mangrove forests along the coast of Senegal and The Gambia. We used freely available global satellite data (Sentinel-2), and cloud computing platform (Google Earth Engine) to run two machine learning algorithms, random forest (RF), and classification and regression trees (CART). We calibrated and validated the algorithms using 800 reference points collected using high-resolution images. We further re-ran 10 iterations for each algorithm, utilizing unique subsets of the initial training data. While all iterations resulted in thematic mangrove maps with over 90% accuracy, the mangrove extent ranges between 827-2807 km2 for Senegal and 245-1271 km2 for The Gambia with one outlier for each country. We further report "Places of Agreement" (PoA) to identify areas where all iterations for both methods agree (506.6 km2 and 129.6 km2 for Senegal and The Gambia, respectively), thus have a high confidence in predicting mangrove extent. While we acknowledge the time- and cost-effectiveness of such methods for the landscape managers, we recommend utilizing them with utmost caution, as well as post-classification on-the-ground checks, especially for decision making.

Mondal, Pinki↗

DOE OSTI2017

Building Energy Management Open Source Software

Source record↗

NASA NTRS2001

Experience and Challenges in Implementing Stratospheric Aerosol Gas Experiment on Meteor-3M Platform

Implementation of Stratospheric Aerosol Gas Experiment (SAGE) is a joint science mission between the Rosavioskosmos, also called Russian Aviation and Space Agency (RASA) and the National Aeronautics and Space Administration (NASA). Under the global collaboration agreement established by President Clinton and Yeltsin in 1995 between the United States and Russia, space was one of the major areas identified for joint scientific collaboration. There were several collaborative projects identified under space, earth, human exploration of space and aeronautics. SAGE was one of the key Earth Science instruments selected common to both countries' interests in ozone research. SAGE has a long space heritage, and four earlier versions of this instrument have flown in space for the last 15-year period. It has provided a vital ozone and aerosol data in the mid latitudes and has contributed in the overall ozone depletion research. SAGE II, the fourth instrument has been flying in space on NASA's Earth Radiation Budget Satellite (ERBS) for the last 14 years. Ball Aerospace built the instrument under Langley Research Center's (LaRC) management. SAGE III for Russian Meteor-3M mission is a third generation design with more spectral bands, elaborate data gathering and storage and intelligent terrestrial software. The Russian collaboration required a complete integration of SAGE III on the Russian Meteor-3M satellite and a launch on a Zenit-2 launch vehicle manufactured in Ukraine. The whole complex is scheduled to be launched from Baikonur cosmodrome in early 2001. This cooperative mission has presented a number of management, technical and logistical challenges on both sides. This paper makes an attempt to review and document such experiences.

Habib, Shahid↗

DOE OSTI2022

funcX: Federated Function as a Service for Science

Here, funcX is a distributed function as a service (FaaS) platform that enables flexible, scalable, and high performance remote function execution. Unlike centralized FaaS systems, funcX decouples the cloud-hosted management functionality from the edge-hosted execution functionality. funcX's endpoint software can be deployed, by users or administrators, on arbitrary laptops, clouds, clusters, and supercomputers, in effect turning them into function serving systems. funcX's cloud-hosted service provides a single location for registering, sharing, and managing both functions and endpoints. It allows for transparent, secure, and reliable function execution across the federated ecosystem of endpoints-enabling users to route functions to endpoints based on specific needs. funcX uses containers (e.g., Docker, Singularity, and Shifter) to provide common execution environments across endpoints. funcX implements various container management strategies to execute functions with high performance and efficiency on diverse funcX endpoints. funcX also integrates with an in-memory data store and Globus for managing data that may span endpoints. We motivate the need for funcX, present our prototype design and implementation, and demonstrate, via experiments on two supercomputers, that funcX can scale to more than 130000 concurrent workers. We show that funcX's container warming-aware routing algorithm can reduce the completion time for 3,000 functions by up to 61% compared to a randomized algorithm and the in-memory data store can speed up data transfers by up to 3x compared to a shared file system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

KBase partners with community developers from several Department of Energy Science Focus Areas to increase functionality of tools and analysis

Several SFAs were selected for training on the KBase Software Development Kit (SDK) to integrate tools and data into the KBase platform. Overall, the collaborative effort was viewed as highly successful. Every SFA project was able to achieve their proposed targets for training and functionality, while also gaining an appreciation for the role KBase plays/could play in their future science plans. Both the SFA and KBase teams felt that continued collaboration would be beneficial, especially if the programs were able to jointly prioritize scope and readiness of future projects. This poster will outline the scope of functionality added by SFA community developers, and highlight points of intersection across these efforts.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2023

Southern Rockies Western Slope Agriculture: Identifying Drivers of Rangeland Production for Drought Planning on the Western Slope of the Southern Rockies

Over the last decade, the southern Rocky Mountains of the United States experienced severe and variable drought. Local ranchers and landowners have reported strain on their operations, citing decreasing forage for their cattle and a need to adjust their business models. This study identified Major Land Resource Area-48 (MLRA-48) and northwestern Colorado as the key region for analysis. NASA DEVELOP partnered with the BLM Colorado River Field Office, Colorado State University Extension, USDA Forest Service, and the National Drought Mitigation Center to address concerns regarding the efficacy of remotely sensed rangeland production platforms and identify early warning climatic indicators of drought. The study identified two key platforms, The Rangeland Productivity Monitoring Service (RPMS) and Rangeland Analysis Platform (RAP), which use NASA Landsat 5 TM, Landsat 7 ETM+, Landsat 8 OLI, and Landsat 9 OLI-2 to estimate rangeland biomass. We regressed these with in situ biomass data to validate their efficacy and found that RAP was more effective than RPMS in estimating rangeland biomass, though it presents a tendency to overestimate. Our study performed a random forest analysis, comparing monthly RAP biomass estimates to a variety of climate variables, including mean precipitation, temperature, Palmer Drought Severity Index, snow water equivalent, snow persistence from Terra MODIS, wind speed and direction, and vapor pressure deficit. We determined that vapor pressure deficit and precipitation are key indicators in predicting forage production in MLRA-48. Our climate analysis provided our partners with greater understanding of the influence of various climate variables in determining rangeland production and allows them to assist land managers in drought mitigation.

remote sensing↗

DOE OSTI2026

Towards continual machine learning for particle accelerators

This talk covers our work on errant beam prognostics at the Spallation Neutron Source (SNS), focusing on the end-to-end process from data collection to the development and deployment of predictive models in specific. A short overview of AIML work done for accelerators and current trends will be presented. We will walk through key steps involved in creating robust Machine Learning (ML) models, including model training, validation, and deployment in an operational setting. In addition to presenting our technical approach, we will share valuable lessons learned, emphasizing the importance of infrastructure to support the continuous adaptation of models to evolving data and system behaviors. This talk will provide insights into the challenges and solutions involved in applying ML to real-world operational environments, with a particular focus on managing data drift and changes in accelerator setup while ensuring model resilience over time.

Accelerator Physics↗

DOE OSTI2017

Integration and assessment of component health prognostics in supervisory control systems - 291

Enhanced risk monitors (ERMs) for active components in advanced reactor concepts use predictive estimates of component failure to update, in real time, predictive safety and economic risk metrics. These metrics have been shown to be capable of use in optimizing maintenance scheduling and managing plant maintenance costs. Integrating this information with plant supervisory control systems increases the potential for making control decisions that utilize realtime information on component conditions. Such decision making would limit the possibility of plant operations that increase the likelihood of degrading the functionality of one or more components while maintaining the overall functionality of the plant. ERM uses sensor data for providing real-time information about equipment condition for deriving risk monitors. This information is used to estimate the remaining useful life and probability of failure of these components. By combining this information with plant probabilistic risk assessment models, predictive estimates of risk posed by continued plant operation in the presence of detected degradation may be estimated. In this paper, we describe this methodology in greater detail, and discuss its integration with a prototypic software-based plant supervisory control platform. In order to integrate these two technologies and evaluate the integrated system, software to simulate the sensor data was developed, prognostic models for feedwater valves were developed, and several use cases defined. The full paper will describe these use cases, and the results of the initial evaluation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

Robotics Technologies on Knowledge Management Information Tool (KM-IT) Platform - 16465

The Knowledge Management Information Tool (KM-IT) is a web-based system developed to maintain and preserve the deactivation and decommissioning (D and D) knowledge base across the Department of Energy (DOE) complex. The system was developed by the Applied Research Center (ARC) at Florida International University (FIU) with the support of the D and D community, including the DOE Office of Environmental Management (DOE EM), and with the active collaboration and support of the DOE's Energy Facility Contractors Group (EFCOG). The KM-IT system is a D and D community driven system tailored to serve the technical issues faced by the D and D workforce across the DOE Complex. New information, including vendors and technologies related to D and D, are researched and added to KM-IT on an ongoing basis. In late 2014, DOE EM provided a database of 471 robotic technologies, originally developed by NuVision Engineering and Cogentus Consulting, with a request to evaluate the potential for integrating the data into the KM-IT framework for ongoing hosting/maintenance of the information. All of the data from the original database as well as photographs, documents, and videos are now available on KM-IT. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗