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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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At least 163 records · Page 9

Understanding the cold plasma synthesis of ammonia with model metal catalysts through plasma diagnostics (Final Report)

The industrial synthesis of ammonia, which amounts to over 200 million tons annually, is the most energy-intensive chemical process. Therefore, there is a critical need and increased interest in exploring less energetic routes to produce ammonia. Not only does ammonia have a direct impact on the food market, but also it has the potential as a fuel and hydrogen carrier. Recently, plasma catalysis has emerged as a promising alternative for synthesizing ammonia at mild (pressure, temperature and power) conditions. The key to this catalytic process is the synergy between the plasma and the catalyst, where the non-equilibrium plasma allows the generation of excited species, which recombine at the catalyst surface to form ammonia. However, our current understanding of this process is in its infancy. In this respect, model metals are ideal candidates for gaining a basic understanding of this reaction. Moreover, a major roadblock to rationally designing novel effective catalysts for plasma-assisted ammonia production is the need for fundamental aspects of this process. Through a comprehensive plan that integrates model metals as catalysts and world-class diagnostics, the proposed work aims to provide fundamental knowledge about the nature of reactive processes occurring during plasma-assisted catalysis and to demonstrate the selective production of ammonia, catalyzed by employing selected metals under non-thermal plasma conditions. Toward this goal, the central thrust of this proposal was to demonstrate that the synergy between plasma and rationally selected model metals will boost ammonia yields during plasma-assisted ammonia synthesis by delaying hydrogen recombination. Specifically, we aimed to (1) understand the formation and role of gas-phase active species such as NH, N 2 , N 2 + and Ha during the plasma-enhanced synthesis of ammonia through OES and FTIRAS using different reaction configurations: a) only plasma (non-packed DBD reactor) and b) packed DBD reactor with metal nanoparticles. This proposal was awarded/recommended with a run time on the PCRF facility FY20.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extreme Decentralized Water Treatment: Exploring the Future of Premise-Scale Water Treatment and Reuse

Access to an adequate quantity of piped water and management of wastewater produced in homes and businesses is an expectation of city dwellers in wealthy countries, and an aspiration for many people living in rapidly developing cities in low- and middle-income countries. It is also crucial to public health and protection of the environment. For well over a century, municipal drinking water provision and wastewater management have been made possible by large investments in centralized systems in which fresh water passes through a small number of drinking water treatment plants before being distributed through a vast underground pipe network to buildings throughout the city (Sedlak 2014). After it is used, wastewater is collected in underground sewers that route it to treatment plants prior to its discharge to the environment. In some water-stressed cities, a fraction of the treated wastewater undergoes additional treatment prior to reuse. This recycled water often is returned to users through another dedicated water distribution system, which is designated in many places with purple pipes (non-potable water reuse). Alternatively, treated wastewater may be subjected to advanced treatment (e.g., reverse osmosis followed by advanced oxidation) prior to being returned to the drinking water supply (potable water reuse).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Bounds on Optimal Revisit Times in Persistent Monitoring Missions With a Distinct and Remote Service Station</strong

We report persistent monitoring missions require an up-to-date knowledge of the changing state of the underlying environment. Unmannned aerial vehicles (UAVs) can be gainfully employed to continually visit a set of targets representing tasks (and locations) in the environment and collect data therein for long time periods. The enduring nature of these missions requires the UAV to be regularly recharged at a service station. In this article, we consider the case in which the service station is not colocated with any of the targets. An efficient monitoring requires the revisit time, defined as the maximum of the time elapsed between successive revisits to targets, to be minimized. Here, we consider the problem of determining UAV routes that lead to the minimum revisit time. The problem is NP-hard, and its computational difficulty increases with the fuel capacity of the UAV. We develop an algorithm to construct near-optimal solutions to the problem quickly when the fuel capacity exceeds a threshold. We also develop lower bounds to the optimal revisit time and use these bounds to demonstrate (through numerical simulations) that the constructed solutions are, on an average, at most 0.01% away from the optimum.

42 ENGINEERING↗

Next Generation System Analysis Model: Recently Added Features and Future Plans

To better enable informed decision-making regarding the back-end of the nuclear fuel cycle, the Integrated Waste Management System (IWMS) program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring the development and application of system analysis tools capable of analyzing various system options for the management of spent nuclear fuel (SNF) and high-level radioactive waste (HLW).With these tools, IWMS architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool expressly designed to be capable of modeling features within various IWMS architectures. NGSAM imports data from Oak Ridge National Laboratory (ORNL)’s unified database (e.g., historic assembly information, thermal profiles for assembly heat, and at-reactor dry storage loadings) to ensure that each simulation initializes with a realistic representation of the state of commercial SNF in the U.S. Recent major enhancements implemented into NGSAM in the period since NGSAM was last presented at the WM2019 conference include: • Tracking of railroad escort car acquisition and buffer car acquisition • The addition of heavy haul truck (HHT) and barge routes for some sites, as well as support for user-defined inter-modal routes • Updates to the logic that checks the transportation cask thermal limit maps prior to package transport • An allocation method that predicts when reactor sites would pack assemblies from their spent fuel pools for dry storage, and prioritizes shipments directly from the pools of those reactor sites in the preceding periods (before the predicted loadings to dry storage), thus reducing the number of casks loaded into dry storage at reactor sites • The addition of “reactor site family” operational limits to restrict the number of loads of SNF taken from the pool and from dry storage at a given reactor site each year • Added support for multiple canister loading map options and packages with multiple compatible transportation overpacks • Updates to the handling of non-commercial SNF, including a new database that contains data to support the updates • Updates to allow analysis of hypothetical scenarios which include repackaging at reactor sites, e.g., for possible comparative analysis with other scenarios • Implementation of additional output reports, or modification of existing ones • The ability to generate and implement user edits via the NGSAM website • The ability to model loading SNF from pool storage at an interim storage facility (ISF) into dry storage at the ISF • The ability to model consolidating SNF from different existing storage containers at a DOE site into the same DOE standard canister • The ability to model transferring SNF casks from one transportation mode to another, e.g., from HHT to rail, referred to as transloading. These new features have improved NGSAM capabilities and users’ experience with the model. Preliminary NGSAM requirements for modeling advanced reactor fuels, reprocessing, treatment, and conditioning were considered, and this paper describes them at a high level. Other nuclear fuel cycle system analysis tools developed under sponsorship of DOE-NE, like the VISION code developed at Idaho National Laboratory, might be better suited for initial high-level analysis of those technologies and advanced fuel cycles. As technologies are developed and system concepts evolve, NGSAM could provide value by providing more detailed modeling of transport, storage, and disposal of spent fuel and wastes from advanced reactors and advanced fuel cycles at the fuel element and waste container level.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Muon Collider Facility for Physics Discovery

Muon colliders provide a unique route to deliver high energy collisions that enable discovery searches and precision measurements to extend our understanding of the fundamental laws of physics. The muon collider design aims to deliver physics reach at the highest energies with costs, power consumption and on a time scale that may prove favorable relative to other proposed facilities. In this context, a new international collaboration has formed to further extend the design concepts and performance studies of such a machine. This effort is focused on delivering the elements of a $\sim$10 TeV center of mass (CM) energy design to explore the physics energy frontier. The path to such a machine may pass through lower energy options. Currently a 3 TeV CM stage is considered. Other energy stages could also be explored, e.g. an s-channel Higgs Factory operating at 125 GeV CM. We describe the status of the R&D and design effort towards such a machine and lay out a plan to bring these concepts to maturity as a tool for the high energy physics community.

43 PARTICLE ACCELERATORS↗

Quantum computing based hybrid solution strategies for large-scale discrete-continuous optimization problems

Quantum computing (QC) has gained popularity due to its unique capabilities that are quite different from that of classical computers in terms of speed and methods of operations. This paper proposes hybrid models and methods that effectively leverage the complementary strengths of deterministic algorithms and QC techniques to overcome combinatorial complexity for solving large-scale mixed-integer programming problems. Four applications, namely the molecular conformation problem, job-shop scheduling problem, manufacturing cell formation problem, and the vehicle routing problem, are specifically addressed. Large-scale instances of these application problems across multiple scales ranging from molecular design to logistics optimization are computationally challenging for deterministic optimization algorithms on classical computers. To address the computational challenges, hybrid QC-based algorithms are proposed and extensive computational experimental results are presented to demonstrate their applicability and efficiency. The proposed QC-based solution strategies enjoy high computational efficiency in terms of solution quality and computation time, by utilizing the unique features of both classical and quantum computers.

97 MATHEMATICS AND COMPUTING↗

The Circular Economy Life Cycle Assessment and Visualization Framework: A Multistate Case Study of Wind Blade Circularity in United States

A circular economy (CE) aims to decouple human activities from economic activities and resource use, and its overall goal is reducing or avoiding negative environmental externalities. The newly developed Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates changes in supply chain environmental impacts as it transitions toward circularity. This study expands CELAVI by incorporating detailed spatial resolution and real-world road routes connecting all facilities within the system. The case study on end-of-life decision making of wind turbine blades in the states of Iowa and Missouri explores how supply chain circularity and environmental impacts are affected by pathway costs and level of wind turbine installations. It demonstrates how high circularity costs might be beneficial for circularity transitions given revenue generated from circular pathways. Finally, impacts have important contributions to the supply chain design and thus show the importance of including detailed spatial resolution in CELAVI and CE studies in general.

circular economy↗

NM 502 Road Safety Audit Report

The Texas A&M Transportation Institute (TTI) and the Los Alamos National Laboratory - Parking and Transportation Services (LANL) have been working in close collaboration to seek solutions for parking, traffic operations, traffic safety, and transit issues facing LANL. NM 502 is a main route for employee traffic entering the lab as well as traffic in and out of the Los Alamos Townsite. The section of roadway in the vicinity of Camino Entrada is of particular interest as it was the site of two very serious crashes involving the extended LANL family, and it is also the entry point onto NM 502 for Los Alamos County Operations to include the school district and transit vehicles.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Circular Economy Lifecycle Assessment and Visualization Framework - CELAVI

A circular economy (CE) aims to decouple human activities from economic growth and resource use, and its overall goal is reducing or avoiding negative environmental externalities. The newly developed Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates changes in supply chain environmental impacts as it transitions toward circularity. This study expands CELAVI by incorporating detailed spatial resolution and real-world road routes connecting all facilities within the system. The case study on end-of-life decision making of wind turbine blades in the states of Iowa and Missouri explores how supply chain circularity and environmental impacts are affected by pathway costs and level of wind turbine installations. It demonstrates how high circularity costs might be beneficial for circularity transitions given revenue generated from circular pathways. Finally, impacts have important contributions to the supply chain design and thus show the importance of including detailed spatial resolution in CELAVI and CE studies in general.

circular economy↗

Observing and Modeling the Sequential Pairwise Reactions that Drive Solid‐State Ceramic Synthesis

Abstract Solid‐state synthesis from powder precursors is the primary processing route to advanced multicomponent ceramic materials. Designing reaction conditions and precursors for ceramic synthesis can be a laborious, trial‐and‐error process, as heterogeneous mixtures of precursors often evolve through a complicated series of reaction intermediates. Here, ab initio thermodynamics is used to model which pair of precursors has the most reactive interface, enabling the understanding and anticipation of which non‐equilibrium intermediates form in the early stages of a solid‐state reaction. In situ X‐ray diffraction and in situ electron microscopy are then used to observe how these initial intermediates influence phase evolution in the synthesis of the classic high‐temperature superconductor YBa 2 Cu 3 O 6+ x (YBCO). The model developed herein rationalizes how the replacement of the traditional BaCO 3 precursor with BaO 2 redirects phase evolution through a low‐temperature eutectic melt, facilitating the formation of YBCO in 30 min instead of 12+ h. Precursor selection plays an important role in tuning the thermodynamics of interfacial reactions and emerges as an important design parameter in planning kinetically favorable synthesis pathways to complex ceramic materials.

36 MATERIALS SCIENCE↗

Trash to Treasure: Waste Carbon into Construction Materials

Mineralization of industrial waste and earth-abundant CO2 into value-added products is a powerful method of utilizing domestic resources to produce value from waste. Carbonate minerals formed from Ca and Mg rich waste streams are key constituents in cement and concrete, which are in demand at the gigaton-scale every year. While thermodynamically favorable, CO2 mineralization is hindered by slow kinetics, and traditional thermochemical routes are too expensive to scale. Here, we demonstrate the advantages of an electrochemical method of waste valorization, which eliminates this limitation and improves kinetics. We highlight this method's ability to initiate crystallization under favorable local conditions, producing carbonates from mining waste at mildly acidic pH. We highlight the effects of key constituents in mining waste on the mineralization process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Electrochemical Reduction of Flue Gas Carbon Dioxide to Commercially Viable C2-C4 Products (Final Report)

This is the final scientific/technical report for a DOE project focused on the electrochemical conversion of CO 2 in non-aqueous solvents to novel products. Electrochemical reduction of CO 2 provides an attractive route to produce valuable fuels and chemicals that can simultaneously lower greenhouse gas emissions when powered by renewable electricity. While recent technological advances have shown the feasibility of industrial CO 2 electroreduction, many challenges remain to improve this technology and expand the list of economically viable products. The vast majority of electrochemical CO 2 reduction research has been conducted in aqueous media under neutral to alkaline conditions, leading to commonly reported products including carbon monoxide, formic acid, methane, methanol, ethylene, acetic acid, and ethanol. In comparison, non-aqueous media for CO 2 reduction has been underexplored but represents a possible avenue to yield new products and improved operating conditions. The aim of the project was to convert waste CO 2 in the form of flue gas to a multicarbon C2 - C4 chemical product in a reactor designed to achieve economically competitive values of current density and selectivity. The project strived to advance the technology readiness of an electrochemical CO 2 reduction process in alcohol solvents from the proof-of-concept stage to a device capable of meeting performance metrics for commercial viability. In the initial plan, the University of Louisville researchers were to focus on investigating the electrochemical process and improving the faradaic efficiency for novel C2 – C4 species, while also working on a parallel effort to build a practical electrolysis reactor to markedly increase the CO 2 reduction current density. The reactor development effort also aimed to engineer a dual-electrolyte feed strategy with non-aqueous catholyte and aqueous anolyte to promote water oxidation as the coupling anodic half-reaction to enable a sustainable and economical overall process. At the outset, the University of North Dakota was to investigate the feasibility of operating directly from coal-derived flue gas without separate capture and purification. The research team sought to determine impurity effects and test mitigation strategies, as well as engineer the gaseous feed system for high reactor tolerance to lower CO 2 concentration. In the last half year of the project, the focus was planned to shift to integrating the advances in the catalysis, electrochemical conditions, reactor design, and flue gas compatibility into a fully functional device and improve it for maximum current density and faradaic efficiency for C2 – C4 species. Knowledge of the full system components, constraints, and maximum performance was then to be used as the basis for a thorough technoeconomic analysis (TEA) and life cycle analysis (LCA) at the end of the project.

01 COAL, LIGNITE, AND PEAT↗

Alchemy: A Model-Based Approach for 2D to 3D Autonomous Nuclear System Design

Engineering design of nuclear power plant (NPP) piping and equipment systems frequently bypasses crucial 2D system planning, instead moving straight to 3D modeling. This often leads to designs that exceed building envelope constraints, forcing expensive and time-consuming redesigns. When 2D modeling is employed, it typically involves labor-intensive manual workflows that convert 2D drawings into 3D models, resulting in inefficiencies and errors across design iterations. These workflows further suffer from poor software interoperability and dependence on proprietary software ecosystems, thereby contributing to schedule delays and cost overruns. This paper presents Alchemy, an autonomous framework that transforms 2D system definitions into Industry Foundation Classes (IFC)-compliant 3D building information models (BIMs) for expediting nuclear facility design at the conceptual preliminary phase. Using a model-based approach, the framework treats the 2D system diagram as the central reference model employed to automatically generate all subsequent outputs, ensuring consistency between the system definition and the resulting physical design. A web-based interface enables engineers to define hierarchical system topologies including associated equipment, geometric properties, and connectivity requirements. A two-phase equipment layout optimization algorithm automatically computes collision-free spatial configurations within predefined building envelopes. An artificial intelligence (AI)-assisted pipe routing module then generates orthogonal, collision-free routing paths, allowing the user to select either an A* search-based method or an Ant Colony Optimization (ACO)-based method. All outputs are authored natively in IFC format, relying on open-source technologies and standardized formats in order to ensure extensibility and eliminate proprietary software dependencies. The proposed framework is validated on two representative pressurized-water reactor (PWR)-based case studies, for which it autonomously generates IFC-compliant 3D models in minutes, drastically reducing workflows that typically require hours of manual effort. The generated model demonstrates topologically correct equipment placement, physically plausible spatial relationships, and collision-free pipe routing consistent with known PWR loop configurations. This work represents a foundational step toward digital engineering for nuclear facility preliminary design, with future ongoing development targeting design code compliance and expanded system complexity.

97 - MATHEMATICS AND COMPUTING↗

Application of Cyber-Informed Engineering for Protecting BESS

This white paper synthesizes an array of crucial grid services provided by BESS technology, assesses its architecture and communications, and presents a case study for analysis against the principles introduced by Cyber-Informed Engineering (CIE). Furthermore, in walking through the analysis, this paper presents a framework to evaluate risks and solutions when considering BESS components. Asset owners and buyers could perform this analysis to assess their BESS product implementations, alternative inverter-based resources (IBR), and energy management systems (EMS). Battery systems fulfill various roles contingent on the unique market demands and the specific challenges presented by regional grid infrastructures. These roles also vary due to the differing utility models for ownership and operation, which are adapted to meet regional and local capabilities and requirements. Concerns have been raised regarding the potential for adversaries to exploit knowledge of battery operational patterns to orchestrate decisive attacks. However, the security of operational data for these systems may not be the primary vulnerability, as much of this information is already well-understood within the community. Applying a modest degree of subject matter expertise can often yield valuable predictions regarding how a battery will respond under certain conditions, such as grid emergencies, high or low-temperature days, Public Safety Power Shutoff (PSPS) events, and outages. The operational characteristics of batteries are well-documented, and their capabilities, including the risks associated with misoperation and the resulting consequences, are published and understood within the industry. CIE practices represent the next step in gaining functional assurance and providing an acceptable level of risk, regardless of whether a battery vendor can support a trusted and validated supply chain. While this issue has exacerbated supply chain challenges, it is not an isolated condition. This foreign supply route is the primary source of BESS for the U.S. market. Significant efforts are underway through the Bipartisan Infrastructure Law (BIL) to change that. Still, strategic short-term operational mitigations are needed to ensure the security of our operational technology (OT) systems, which are enhanced by instilling trust and are separate from vendors implementing CIE principles.

25 ENERGY STORAGE↗

Defining Infrastructure Feasibility for Hub-Scale Offshore Atlantic Carbon Storage in the Northeastern United States

In the Northeast U.S., deep rock formations along the Atlantic outer continental shelf may have the potential to sequester 150–1136 million metric tons of CO2. However, the design and infrastructure necessary to develop offshore carbon storage in this region is not well defined because there has been little oil and gas exploration and no commercial production. Consequently, an infrastructure feasibility design was completed for a hub-scale offshore CO2 storage system along the Northeast U.S. Atlantic. The design included development of a detailed, site-specific geological model for a location near the Great Stone Dome geological structure in the Baltimore Canyon Trough off the coast of Delaware, Maryland, and New Jersey. A field injection system topology design was completed to portray a design with eight wells in two clusters connected by central manifolds. Reservoir simulations were completed for the injection system that showed the hub may be able to inject 17 million metric tons (MMT) of CO2 per year for thirty years, but injection rates varied substantially across the eight wells. A CO2 pipeline design determined feasible routes from the east coast shoreline to the injection field. Finally, the CO2 injection system design included subsea injection trees, manifolds, and power umbilicals. This is the first study to define large-scale carbon storage design and infrastructure options for the offshore Atlantic, which can help to progress this region towards field characterization and early-mover deployment for future decarbonization in the region.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Feasibility of Direct CO2 Conversion Technologies on Impacting Mid-Century Climate Goals

Recent IPCC modeling suggests that to limit global warming below 2 degrees C, "unprecedented" reductions in CO2 emissions will be required during the 2030-2050 time frame. The direct conversion of CO2 to fuels and chemicals using renewable electricity has garnered interest as one route to draw down emissions with the ability to synthesize products at a significantly lower carbon footprint than conventional methods. However, most direct CO2 conversion pathways are only in the early stages of development and face technical and market hurdles prior to scale-up, bringing into question what role they may play in influencing global CO2 emissions within this critical two-decade window. In this perspective, we highlight low-temperature electrolysis as a promising technology for direct CO2 conversion, including discussion on the products that could most impact global emission levels, and importantly, offer insight into the timeline, required advancements, and specific technical targets needed to successfully scale and deploy these technologies at the commercial level.

chemicals↗

Exploring decarbonization pathways for USA passenger and freight mobility

Abstract Passenger and freight travel account for 28% of U.S. greenhouse gas (GHG) emissions today. We explore pathways to reduce transportation emissions using NREL’s TEMPO model under bounding assumptions on future travel behavior, technology advancement, and policies. Results show diverse routes to 80% or more well-to-wheel GHG reductions by 2050. Rapid adoption of zero-emission vehicles coupled with a clean electric grid is essential for deep decarbonization; in the median scenario, zero-emission vehicle sales reach 89% for passenger light-duty and 69% for freight trucks by 2030 and 100% sales for both by 2040. Up to 3,000 terawatt-hours of electricity could be needed in 2050 to power plug-in electric vehicles. Increased sustainable biofuel usage is also essential for decarbonizing aviation (10–42 billion gallons needed in 2050) and to support legacy vehicles during the transition. Managing travel demand growth can ease this transition by reducing the need for clean electricity and sustainable fuels.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Chapter 6: Recycling Plastic Waste to Produce Chemicals - A Techno-Economic Analysis and Life-Cycle Assessment

This study presents the results of a preliminary assessment on the technology, economics, and sustainability of using waste plastics as a feedstock to produce low molecular weight olefins via pyrolysis and gasification pathways. We also studied the formation of formaldehyde - an important polymer precursor - via the gasification of waste plastics. Process pathways for recovery of ethylene and propylene and production of formaldehyde from a simulated mixed plastic waste were constructed based on literature data. They included direct and indirect pathways based on either gasification or pyrolysis as the primary conversion step. Results of these studies have shown that significant economic challenges exist of producing olefins via pyrolysis and gasification, with the latter pathway especially difficult. Base costs of pyrolysis naphtha from waste plastics are higher when compared to the same material produced from fossil feedstocks. Base olefin costs for one direct route are two times higher than comparable costs from steam cracking of fossil naphtha. These costs are driven primarily by feedstock costs; some pyrolysis scenarios become more economically feasible when very low feedstock costs are used. Similarly, for gasification, the cost of methanol - the central intermediate - was found to be noticeable higher when produced by gasification of waste plastics compared to current selling prices, which negatively impacts all pathways that go through methanol as the central intermediate. Life-cycle assessment indicates that the production of pyrolysis naphtha from plastics is a carbon intensive operation; no major advantages were found in terms of greenhouse gas emissions for any of the pathways producing C2 and C3 olefins. The results of this study can serve as the baseline for future comparison to other plastic waste valorization processes.

BIOMASS FUELS,ENERGY PLANNING, POLICY, AND ECONOMY↗