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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2023

Inorganic Hydrogeochemistry in the 21st Century

Abstract Chemical and isotopic processes occur in every segment of the hydrological cycle. Hydrogeochemistry—the subdiscipline that studies these processes—has seen a transformation from “witch's brew” to credible science since 2000. Going forward, hydrogeochemical research and applications are critical to meeting urgent societal needs of climate change mitigation and clean energy, such as (1) removing CO 2 from the atmosphere and storing gigatons of CO 2 in soils and aquifers to achieve net‐zero emissions, (2) securing critical minerals in support of the transition from fossil fuels to renewable energies, and (3) protecting water resources by adapting to a warming climate. In the last two decades, we have seen extensive activity and progress in four research areas of hydrogeochemistry related to water‐rock interactions: arsenic contamination of groundwater; the use of isotopic and chemical tracers to quantify groundwater recharge and submarine groundwater discharge; the kinetics of chemical reactions and the mineral‐water interface's control of contaminant fate and transport; and the transformation of geochemical modeling from an expert‐only exercise to a widely accessible tool. In the future, embracing technological advances in machine learning, cyberinfrastructure, and isotope analytical tools will allow breakthrough research and expand the role of hydrogeochemistry in meeting society's needs for climate change mitigation and the transition from fossil fuels to renewable energies.

Zhu, Chen (ORCID:0000000153746787)↗
DOE OSTI2025

A comprehensive academic and industrial survey of blockchain technology for the energy sector using fuzzy Einstein decision-making

The global energy sector is undergoing a significant transformation driven by decarbonization and digitalization, leading to the emergence of Distributed Ledger Technology (DLT) — particularly blockchain — as a promising tool for enhancing transparency, security, and efficiency in modern power systems. This study aims to provide a comprehensive academic and industrial survey of blockchain applications in the energy sector and develop a robust decision-making framework to identify and prioritize the most promising real-world use cases based on multidisciplinary criteria. A three-stage methodology was adopted: (i) a literature and market review encompassing over 300 academic publications and commercial blockchain initiatives in energy, (ii) an in-depth evaluation of the evolution and viability of blockchain initiatives in energy with the help of expert surveys, and (iii) a novel decision-making model using a q-rung orthopair fuzzy Multi-Attributive Border Approximation (q-ROF-MABAC) method under the Einstein operator. The results were compared with existing decision models to validate consistency and robustness. Nine key blockchain use case categories were identified and ranked based on technical, economic, and governance dimensions. The results demonstrated that integrating expert insights into a fuzzy logic framework helps filter out overhyped claims in the literature and prioritize realistic and high-impact applications such as green certificates, grid services, and peer-to-peer energy trading. The model’s rankings remained stable across varying weight configurations, confirming the robustness of the methodology. This study provides an evidence-based decision-support tool for researchers, industry stakeholders, and policymakers to better understand, evaluate, and adopt blockchain technologies in the energy sector.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

South Africa’s Appliance Energy Efficiency Standards and Labeling Program

Electricity consumption in South Africa comes with a hefty environmental cost to the society. For every kilowatt-hour (kWh) produced, 1 kilogram (kg) of carbon dioxide (CO 2 ) is emitted, 1.4 liters of water are used, and 0.37 grams of particulate emissions are released in the atmosphere. These environmental implications result from the large share of electricity produced from coal (91 percent in 2015). While planned new capacity will ramp up renewable energy, the integrated resource plan for the country still projects the share of col to be 64 percent in 2030. Energy savings provide environmental benefits as well as economic benefits. Energy efficiency standards and labeling (S&L) programs are a policy measure proven to save energy. Such programs have been implemented in many countries to remove inefficient technologies and transform markets to more efficient technologies. In this study, we describe the methodology, assumptions and results of a stock turnover modeling tool that estimates the energy savings achievable by South Africa’s S&L program in the residential sector. We show that if regulations are passed in 2020 and effective in 2021 for 10 major end-use adopting international standards best practices, 6 terawatt-hours (TWh) will be saved in 2030 and 9.5 TWh will be saved in 2040, representing a CO 2 mitigation of 3.7 megatonnes (Mt) in 2030 and 5.8 Mt in 2040, which will contribute to the South African government’s international engagement in fighting against climate change through its National Determined Contribution (NDC). Additional environmental benefits include saving of 6.5 billion liters of water in 2030, representing approximately 100 liters per capita in 2030. Air quality will also improve, as 4 kilotons (kt) of particulate emissions will be avoided, as well as 4.3 Mt of sulfur oxides (SOx) and 23 kt of nitrogen oxides (NOx) in 2030.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

EverGREEN 2045: An Energy Mix to Decarbonize Washington State

Washington State’s future resource mix is likely to be comprised of intermittent renewables and carbon-free generation including hydropower by 2045. Generation will likely be comprised of wind, solar photovoltaic (PV), batteries, pumped storage hydropower (PSH), existing nuclear power plants, and potentially enhanced geothermal systems and advanced nuclear reactor technologies. To assess the cost and stability of the future resource mix, we partner with X-energy (advanced reactor design) and AltaRock Energy (enhanced geothermal system) for proprietary cost data. After estimating the costs of these two new technologies, we design plausible future resource mix scenarios to meet Washington State’s Clean Energy Transformation Act which transitions the state to carbon-free generation by 2045. We assess the cost and stability of the future resource mix with power system analysis tools, finding revenues are sufficient to cover variable operating and maintenance costs for most technologies providing power in 2030 and 2045, but capacity payments or power purchase agreements will likely be necessary for flexible resources, including enhanced geothermal systems and advanced nuclear reactors, to participate in the future resource mix.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Data-Driven Strategies for Accelerated Materials Design

The ongoing revolution of the natural sciences by the advent of machine learning and artificial intelligence sparked significant interest in the material science community in recent years. The intrinsically high dimensionality of the space of realizable materials makes traditional approaches ineffective for large-scale explorations. Modern data science and machine learning tools developed for increasingly complicated problems are an attractive alternative. An imminent climate catastrophe calls for a clean energy transformation by overhauling current technologies within only several years of possible action available. Tackling this crisis requires the development of new materials at an unprecedented pace and scale. For example, organic photovoltaics have the potential to replace existing silicon-based materials to a large extent and open up new fields of application. In recent years, organic light-emitting diodes have emerged as state-of-the-art technology for digital screens and portable devices and are enabling new applications with flexible displays. Reticular frameworks allow the atom-precise synthesis of nanomaterials and promise to revolutionize the field by the potential to realize multifunctional nanoparticles with applications from gas storage, gas separation, and electrochemical energy storage to nanomedicine. In the recent decade, significant advances in all these fields have been facilitated by the comprehensive application of simulation and machine learning for property prediction, property optimization, and chemical space exploration enabled by considerable advances in computing power and algorithmic efficiency. In this Account, we review the most recent contributions of our group in this thriving field of machine learning for material science. We start with a summary of the most important material classes our group has been involved in, focusing on small molecules as organic electronic materials and crystalline materials. Specifically, we highlight the data-driven approaches we employed to speed up discovery and derive material design strategies. Subsequently, our focus lies on the data-driven methodologies our group has developed and employed, elaborating on high-throughput virtual screening, inverse molecular design, Bayesian optimization, and supervised learning. We discuss the general ideas, their working principles, and their use cases with examples of successful implementations in data-driven material discovery and design efforts. Furthermore, we elaborate on potential pitfalls and remaining challenges of these methods. Finally, we provide a brief outlook for the field as we foresee increasing adaptation and implementation of large scale data-driven approaches in material discovery and design campaigns.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Global Power System Transformation Consortium

The Global Power System Transformation (G-PST) Consortium, an expert- and practitioner-driven initiative, engages key power system operators, research and educational institutes, governments, businesses, and stakeholders in all regions of the world to accelerate clean energy transitions at the ambitious scope and scale that is required. The G-PST Consortium provides coordinated, holistic support and knowledge infusion for system operators pursuing clean energy transitions, including performing cutting-edge research; providing implementation support for world-class engineering and operational solutions; supporting workforce development; building and disseminating open-access data and tools; and accelerating localized technology adoption, standards development, and testing programs.

consortium↗
DOE OSTI2024

Artificial Intelligence/Machine Learning Technology in Power System Applications

The primary purpose of this report is to provide an overview of the advancement in artificial intelligence and machine learning (AI/ML) technologies and their applications in power systems. It offers a foundation for understanding the transformative role of AI/ML in power systems and aims to stimulate further research and development in this area. This report begins with a historical perspective of AI/ML technologies, then explores their advancement to today’s prominence. The document highlights key contributors to the success of AI/ML technologies, including increased computational power, greater data availability, innovative algorithms, and advanced tools. It further introduces various AI/ML techniques, including supervised, unsupervised and reinforcement learning, graph neural networks, and generative AI. It also emphasizes the critical importance of ensuring the safety, security, and trustworthiness of these AI/ML techniques within this sector. The report reviews the recent representative advancements in various power system applications enhanced by AI/ML techniques, underscoring key developments and their transformative impact as evidenced by numerous studies. It also explores both the opportunities and challenges associated with the application of AI/ML technologies to improve power system applications. While the report extensively covers AI/ML applications in power systems, focusing primarily on the technical and operational aspects, it may not thoroughly explore the sociopolitical, economic, and broader regulatory implications of AI/ML integration in power systems. AI/ML techniques hold significant potential for enhancing power system applications; however, they are not omnipotent. It is crucial to acknowledge their limitations and understand that they may not be able to address all challenges in the power system domain. Various factors must be considered that influence the implementation, adoption, and effectiveness of AI/ML solutions, including but not limited to safety, security, transparency, and trustworthiness. Additionally, the incorporation of advanced human–machine interfaces is essential, as it enables humans to validate the effectiveness of AI/ML solutions while remaining actively engaged, fostering trust in AI/ML deployment. Finally, the report summarizes AI/ML research activities supported by the Department of Energy (DOE) Office of Electricity (OE) through the Advanced Grid Modeling (AGM) program. The work aligns with the interests and mission of DOE-OE AGM, with the report serving as a resource for identifying existing progress and for pinpointing future applications within AI/ML that need further exploration and support.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Fracture Networks Imaging in CO2 Injection Zones in IBDP Site: An Unsupervised Machine Learning Application with Multiple Datasets

Poster presented at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24, 2024. This poster highlights the integration of unsupervised machine learning (ML) techniques as a transformative tool for advancing understanding of CO2 injection into reservoirs that could potentially contribute to optimizing injection strategies and reservoir management, ultimately bolstering the efficacy and sustainability of CO2 storage.

Kumar, Abhash↗
DOE OSTI2024

Fracture Networks Imaging in CO2 Injection Zones in IBDP Site: An Unsupervised Machine Learning Application with Multiple Datasets

This is the conference paper accompanying a poster presentation at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24 , 2024. This work highlights the integration of unsupervised machine learning (ML) techniques as a transformative tool for advancing understanding of CO2 injection into reservoirs that could potentially contribute to optimizing injection strategies and reservoir management, ultimately bolstering the efficacy and sustainability of CO2 storage.

Kumar, Abhash↗
DOE OSTI2023

Data Reliability in BIM and Performance Analytics: A Survey of Contemporary AECO Practice

As awareness around building energy consumption increases, practitioners are encouraged to consider performance aspects regarding the built environment more closely and find ways to improve its efficiency. Improvements in building information modeling (BIM) and building performance simulation (BPS) tools present opportunities to facilitate information communication with a wider range of stakeholders. The building sector can benefit from the integration of performance informatics; however, there has been limited success in utilizing available technologies that promote data integration and management in favor of enriching our knowledge and understanding of buildings as artifacts of information. This phenomenon was investigated by conducting a survey, together with a review of relevant literature, to depict the relevant challenges and opportunities for the architecture, engineering, construction, and owner-operated (AECO) industry, as it undergoes digital transformation, as well as the working practices that have formed around them. It is argued that the current tools available to practitioners do not support effective data serialization between design and analytics processes, affecting the collaboration between team members. Lastly, a series of functional goals are proposed to support a higher level of reliability in the ways information is mobilized, by rethinking the technologies and methods for organizing information systems.

42 ENGINEERING↗
DOE OSTI2020

Report on the Use and Function of the Integrated Operations Capability Analysis Platform (ICAP) and the LWRS Innovation Portal (IP)

The commercial nuclear power industry has achieved excellent safety and reliability performance but is struggling to survive in an electricity market that is increasingly dominated by subsidized renewables and cheap natural gas. These challenges have forced utilities to explore previously uncharted avenues to drastically reduce the operations and maintenance costs of their plants which are the primary drivers of the total cost to produce electricity. The petrochemical industry faced similar challenges some years ago as the costs of extraction and processing were rising while their reservoirs were being depleted along with a drop-in commodity prices that resulted in unsustainable operations. In this challenging climate, they developed a business model called Integrated Operations (IO) that sought to utilize technology to enable news ways of working through the integration of people, technology, process and governance changes. The Light Water Reactor Sustainability (LWRS) program, working with IFE have developed an operating model via transferable learnings from the North Sea O&G industry. This framework is termed “Integrated Operations for Nuclear” (ION). ION is a transformation model that integrates the benefits and features of four principal factors: People, Technology, Process and Governance. The purpose of this report is to describe how to generate an ION business process analysis and utilize this information to reduce O&M costs. In order to make this job easier, DOE LWRS has created a suite of tools that will allow a person who is involved in a transformation effort at their company to build a solid documented business case for embarking on a major transformation effort. These tools, the Integrated Operations Capability Analysis Model (ICAP) and the LWRS Innovation Portal (IP) are described herein with instructions on their use. Instructions on how the interface with the EPRI Business Case Analysis Method (BCAM) are also provided.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

2020 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is essential for addressing the increasingly complex national workforce demands stemming from the growth of computational science and engineering challenges. Computational science and engineering (CSE) takes a multidisciplinary approach that utilizes scientific computing to tackle practical problems and provide technical tools across the spectrum of scientific discovery. The DOE CSGF specifically highlights high-performance computing (HPC) as a critical enabling technology in CSE, driving advancements in science and engineering that are vital to both the DOE and the broader economy. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines have been transformed through the augmentation of scientific observation via HPC. At government laboratories, academic institutions, and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, quantum information systems, fusion-reactor design, machine learning, additive manufacturing, nano materials for next-generation batteries and transistors, and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing. Computational biology, machine learning, and quantum computing are among the subjects that began to swell in the ranks of CSGF applicants before the labs were hiring as high a percentage of employees in these categories.” The explosion of scientific and technological data has heightened the demand for advanced high-performance computing (HPC) to transform these data into meaningful scientific insights. As access to vast amounts of data increases, the fields of Machine Learning and Artificial Intelligence are experiencing a resurgence, enhancing the established practices of computational modeling and simulation. In its September 2020 subcommittee report on "AI/ML, Data Intensive Science, and High-Performance Computing," the DOE Advanced Scientific Computing Advisory Committee (ASCAC) specifically called for a fellowship program to train computational and data scientists to address exascale and data-intensive computing challenges. This integration of empirical and theoretical modeling will increasingly guide federal policymakers in making decisions that impact American society and future generations. It demands a workforce of highly skilled and intellectually agile computational scientists capable of navigating the rapid advancements in scientific computing within the DOE National Laboratory research environment. The DOE CSGF program has consistently addressed this critical need.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Molecular diversity of dissolved organic matter reflects macroecological patterns in river networks

Deciphering dissolved organic matter (DOM) molecular complexity is crucial for understanding ecosystem function. Using the continental-scale Worldwide Hydrobiogeochemistry Observation Network for Dynamic Rivers Systems (WHONDRS) Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS) dataset, we reveal fundamental scaling patterns of DOM chemodiversity with watershed characteristics. Analysis of 54 river sites shows local and regional watershed features significantly influence DOM chemodiversity (2500–8718 unique formulae), exhibiting consistent scaling patterns across compound classes and a novel latitudinal gradient (decreasing diversity with increasing latitude). Scaling relationships for DOM composition vary by compound class. Crucially, the scaling parameters (B, baseline chemodiversity; Z, sensitivity) are linearly interrelated. This B–Z relationship is most robust for potentially bio-labile carbohydrates (coefficient of determination R 2 ≈ 0.85), diminishing for recalcitrant, plant-derived molecules (such as lignin), and indicates (potential) biolability-dependent coupling between baseline diversity and environmental responsiveness. These quantitative scaling relationships, with scaling exponents ranging from − 2.1 to 2.2 across compound classes, enable prediction of DOM composition across watersheds, offering a framework to understand ecosystem responses to environmental change. This research bridges biogeochemistry and ecology, providing tools to anticipate molecular transformations across scales.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Challenges and Opportunities in State‐of‐the‐Art Proteomics Analysis for Biomarker Development From Plasma Extracellular Vesicles

Extracellular vesicles (EVs) are membrane-bound particles secreted by cells, playing crucial roles in intercellular communication. The composition of EVs can undergo changes in response to stress and disease conditions, making them excellent biomarker candidates. However, extracting protein information from EVs can be challenging due to their low abundance in complex biofluids and copurification with contaminant proteins and particles. Techniques to enrich EVs have their strengths and limitations, without one being able to purify EVs to complete homogeneity. This can lead to compromised recovery rates and increased complexity, making data interpretation difficult. In this viewpoint article, we explore the concept that better characterization of EV composition, followed by quantification of EV proteins in complex samples, might be a more viable route for biomarker development. Mass spectrometers can provide reproducible deep coverage of the EV proteome, despite sample impurities. This paradigm shift presents opportunities to integrate advanced bioinformatics tools to refine the EV proteome landscape, identify novel biomarkers, and streamline validation processes in biomarker development. By focusing on leveraging technology rather than achieving absolute purity, this approach can transform current practices and open opportunities for robust biomarker discovery. Herein, we highlight not only such opportunities but also challenges to implement this concept.

Dakup, Panshak P. [Pacific Northwest National Labo↗
DOE OSTI2020

Industry 4.0 and Intelligent Manufacturing Processes: A Review of Modern Sensing Technologies

Digital Manufacturing technologies have quickly become ubiquitous in the manufacturing industry. The transformation commonly referred to as the fourth industrial revolution, or Industry 4.0, has ushered in a wide range of communication technologies, connection mechanisms, and data analysis capabilities. These technologies provide powerful tools to create a more lean, profitable, and data-driven manufacturing processes. In this paper, we review modern communication technologies and connection architectures for Digital Manufacturing and Industry 4.0 applications. An introduction to Cyber-Physical Systems and a review of digital manufacturing trends is followed by an overview of data acquisition methods for manufacturing processes. Numerous communication protocols are presented and discussed for connecting disparate machines and processes. Flexible data architectures are discussed and examples of machine monitoring implementations are provided. Finally, select implementations of these communication protocols and architectures are surveyed with recommendations for future architecture implementations.

42 ENGINEERING↗
DOE OSTI2020

High Penetration Power Electronics Grid: Modeling and Simulation Gap Analysis

Increased penetration of power electronics in the grid is happening through development of high-power drives (like in Type 3 or 4 wind turbines, industrial drives, etc.), high-voltage direct current (HVdc) systems, flexible alternating current transmission systems (FACTS), energy storage systems (ESSs), inverter-based renewables like solar and wind, electric vehicle chargers, and other technologies. Ongoing research and development in new power electronic technologies including, but not limited to, solid-state power substations (SSPS), extreme fast charging (XFC), solid-state transformers, and multi-port power electronics that integrate multiple sources/loads will further increase penetration levels. To ensure stakeholders can integrate high penetration of power electronic technologies safely and reliably requires tools and methods to assess and evaluate their impact on the grid. Objectives: This report surveys, assesses, and analyzes commercially available and open-source tools that can support the assessment and evaluation of power electronics in future grids with high penetration levels. The study includes aspects that range from power flow analysis to dynamics evaluation (including hardware-in-the-loop – HIL testing) for such systems. The challenges and gaps associated with the current generation of toolsets available to assess the technical impact of introducing high penetration of power electronics are reported. The method is summarized in Figure ES-1.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Application of a Prize Mechanism to Address Data Utilization Challenges at Utilities

The electric industry sector is facing an “explosion” of data from a variety of sources. Electric sector stakeholders need to define how to capitalize on large datasets, both those they create and those from other sources (like data on weather, buildings, electric vehicles, etc.), to improve reliability and resilience and meet the changing system dynamics from renewable integration. For the electricity sector to fully utilize these vast new datasets, it must undergo a transformation in how it manages data quality, storage, and processing. The U.S. Department of Energy (DOE) Office of Electricity (OE) is committed to accelerating research, development, and demonstration of new technologies and tools within the electricity sector to advance reliability, resilience, and affordable operation of the power system. Through the prize mechanism, OE identified two widespread data-related challenges for utilities—load modeling and data analysis automation—and offered an opportunity for utilities and teams of software engineers to identify additional challenges faced by utilities. After completing one round of the American-Made Digitizing Utilities Prize, OE, the National Renewable Energy Laboratory (NREL) as the prize administrator, and Pacific Northwest National Laboratory (PNNL) as the domain experts have compiled the results and lessons learned to feed into the second round of the prize.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗