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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 sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimizing an Integrated Renewable-Electrolysis System

Hydrogen is a versatile energy carrier that is used in a wide variety of chemical and industrial processes. Producing hydrogen using electrolysis can enable integration of multiple sectors including electricity, heating, and industrial sectors; however, the cost of producing hydrogen from electrolysis remains a challenge for encouraging greater adoption. With growing amounts of renewable generation on the California grid, there is downward pressure on wholesale electricity prices, particularly during the afternoon from photovoltaics (PV). These lower, or even potentially negative prices, challenge the business cases for new and existing PV plants. In addition, as the grid transitions to less flexible generation, there is greater need for system flexibility. To help improve the economics for both solar PV and hydrogen production using electrolyzers, we explore the benefit of combining PV and electrolysis systems. The optimal breakeven hydrogen production cost for six unique market participation configurations is calculated at six candidate locations where PV is already installed. The six market configurations include islanded, separated, retail, net energy metering (NEM), hybrid retail/wholesale and wholesale. Using the Revenue Operation and Device Optimization Model (RODeO) model, the optimal breakeven hydrogen price over the lifetime of the equipment is calculated. The cost includes production, storage, and compression in preparation for gaseous delivery trucks. Revenue streams include the sale of hydrogen, low carbon fuel standard (LCFS) credits, renewable electricity sold to the grid, and Renewable Energy Credits (REC). The costs included are the electricity costs, capital and fixed operation and maintenance cost (FOM) for the electrolyzer, PV, and storage and compression systems as well as taxes and financing costs. In addition, cost reductions are achieved through retail and wholesale rate optimization, by which electricity is purchased at the lowest price and sold, if possible, at the highest price. For all locations, the breakeven hydrogen production cost results show that, in the order of decreasing cost, the system configurations are islanded (highest), separated, NEM, retail, hybrid retail/wholesale, and wholesale (lowest). The resulting system design balances between the capital and maintenance cost components, the operation costs (i.e., electricity costs) and the additional market revenues. The integration of solar PV and electrolysis is shown to provide a mutually beneficial relationship. For PV, integration with electrolysis offers the potential to hedge against wholesale market price volatility, and integration with electrolysis may offer the potential to defer or avoid transmission investment to deliver power to the point-of-use and instead use it on-site. When compared with SMR without considering any renewable hydrogen premiums, this study finds that PV + Electrolysis systems with current costs are likely not competitive; however, with cost reductions for electrolysis equipment consistent with DOE projections, it was found that systems with wholesale market access would be competitive, largely on account of both low capital costs and low-cost electricity. The electrolysis units can provide greater flexibility than is required based on retail rate optimization, so there is an opportunity for a utility or CAISO to increase system flexibility with PV + Electrolysis systems in return for commensurate compensation. In this way, there are potentially several solutions that fall between the hybrid configuration and the wholesale configuration that could provide sufficient compensation for a PV + Electrolysis unit to compete with SMR while also providing greater flexibility to the grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Wind 2H2 Project (CRADA Final Report)

The Xcel-NREL Wind Electrolysis R&D Project is designed to gain knowledge and insight about producing hydrogen from electricity for use as a vehicle fuel and as a “stored wind”. The project will analyze producing hydrogen directly from wind as well as from the electric grid. In addition, it will look at storing hydrogen and then using it to put electricity back onto the grid. Modifications were made to the original scope to also include electric vehicles integration with the electric grid. This report addresses Task 8 portion of the CRADA, focused on testing and measuring the attributes of plug-in electric vehicles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Preliminary Design of Nuclear Reactor Heat Delivery Systems: Integration with Reference Oil Refinery, Methanol Synthesis, and Hydrogen Production

The Department of Energy’s (DOE) Integrated Energy Systems (IES) program is generating comprehensive analyses validating the opportunity for using nuclear energy in a variety of applications including future clean grids, providing heat for direct use, and providing heat to help reduce emissions in chemical commodities. This work focuses on the preliminary designs of thermal delivery systems that can integrate heat produced from a nuclear core to industrial processes. The key research question that needs to be answered is: what is the prospective method for integrating nuclear generated heat energy into non-electric applications that can facilitate combined heat and power operations by advanced nuclear reactor systems? This research is a composition of case studies showing preliminary conceptual designs for thermal delivery systems integrating advanced nuclear systems with a few industrial systems including high temperature steam electrolysis, a reference oil refinery, and potential future methanol systems that supplant some natural gas use with nuclear energy. Piping and instrumentation diagrams have been developed to show the conceptual integration of nuclear systems with representative industrial systems. Different features of the configurations are dependent on the specific integration requirements including energy source conditions, demand quantity, and require energy application conditions. Design concepts are validated using thermodynamic balance calculations to verify system performance including calculating system losses during transport. Key components: pumps and compressors, heat exchangers, and network piping are reported with key design information and sizing.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Deep reinforcement learning based optimization for a tightly coupled nuclear renewable integrated energy system

New ways to integrate energy systems to maximize efficiency are being sought to meet carbon emissions goals. Nuclear-renewable integrated energy system (NR-IES) concepts are a leading solution that couples a nuclear power plant with renewable energy, hydrogen generation plants, and energy storage systems, such that thermal and electrical power are dispatchable to fulfill grid-flexibility requirements while also producing hydrogen and maximizing revenue. Here, this paper introduces a deep reinforcement learning (DRL)-based framework to address the complex decision-making tasks for NR-IES. The objective is to maximize revenue by generating and selling hydrogen and electricity simultaneously according to their time-varying prices while keeping the energy flow in the subsystems in balance. A Python-based simulator for a NR-IES concept has been developed to integrate with OpenAI Gym and Ray/RLlib to enable an efficient and flexible computational framework for DRL research and development. Three state-of-the-art DRL algorithms have been investigated, including two-delayed deep deterministic policy gradient (TD3), soft-actor critic (SAC), proximal policy optimization (PPO), to illustrate DRL’s superiority for controlling NR-IES by comparing it with a conventional control approach, particle swarm optimization (PSO). In this effort, PPO has shown more-stable performance and also better generalization capability than SAC and TD3. Comparisons with PSO have demonstrated that, on average, PPO can achieve 13.9% more mean episode returns from the training process and 29.4% more mean episode returns from the testing process when different hydrogen-production targets are applied.

08 HYDROGEN↗
DOE OSTI2022

Case Study: Hybridizing Nuclear Energy Systems in the U.S.

This case study was presented at the ICTP-IAEA VIRTUAL Course on Nuclear-Renewable Integrated Energy Systems: Phenomenology, Research and Development. It provides preliminary results on an analysis of hybridizing the two nuclear power plants owned by Xcel Energy and located in Minnesota. The analysis extends previous analyses that provided only price-taker results. Those assume adjusting the generation sold to the grid does not impact locational marginal electricity prices nor do they estimate impacts on the total net cost to serve the load. This presentation summarizes the new technique that was developed to both optimize the size and operations of the hybridized system and the resulting impacts on the grid when it is operated optimally.

ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Electrolyzers in the System Advisor Model (SAM): A Techno-Economic Potential Study

A technoeconomic analysis of grid to low temperature electrolysis (Grid-LTE), photovoltaic to low temperature electrolysis (PV-LTE), concentrating solar power to high temperature electrolysis (CSP-HTSE) and a concentrating solar power with PV to high temperature electrolysis (CSP-PV-HTSE) centralized hydrogen production systems are analyzed to assess the economics of system and to provide a baseline for comparing these technologies against hydrogen production cost targets. A framework integrating the system advisor model (SAM) and US Department of Energy hydrogen production models (H2A) is developed to assess these systems. The hydrogen levelized cost given current and future assumptions for technology cost and performance is evaluated at optimal system configurations. The framework described in this report integrates SAM with H2A electrolyzer technologies and provides analysts a detailed technoeconomic method to analyze concentrating and photovoltaic solar technologies to produce energy that are directly coupled to LTE and HTSEs that use that energy to split water into hydrogen and oxygen. The baseline hydrogen levelized cost (HLCs) for the GRID-LTE, PV-LTE, CSP-HTSE, and CSP-PV-HTSE systems in Daggett, CA are 2.82, 3.86, 3.68, and 2.90 $\$$USD 2016/kg H2 and 2.50, 2.13, 2.84, 2.15 $\$$USD 2016/kg H2 in the 2020 and 2050 scenarios respectively. To achieve the $\$$2/kg H2 target in locations with excellent solar resources, cost parameters values aligned with aggressive R&D targets will need to be achieved for all the systems configurations. In Daggett, PV costs of $\$$0.68 /Wac or moderate ATB PV CAPEX projections result in HLCs of $\$$2 /kg H2. Similarly for PV-MSALT-HTSE systems, $\$$0.60 /Wac result in $\$$2/kg H2. For the MSALT-HTSE systems, better than aggressive 2050 ATB salt tower CAPEX projections would be needed to reach $\$$2/kg H2. Molten salt tower capital costs of $\$$2400/kW would enable $\$$2/kg H2 in 2050.

08 HYDROGEN↗
DOE OSTI2022

Combined Cycle Integrated Thermal Energy Storage “CiTES” (Final Scientific/Technical Report)

The Phase I of this project confirmed the technical feasibility of a Combined Cycle integrated Thermal Energy Storage “CiTES” system, calculated the key performance parameters like power efficiency and costs, and proved its commercial value with full-year simulations for several US electricity markets with high degree of variable renewable generation and volatile hourly electricity prices. The core element of this project is the Electro Thermal Energy Storage (ETES) technology from Siemens Gamesa Renewable Energy GmbH, using thermally stable and inexpensive volcanic rocks as storage material and air as heat transfer medium. This technology is backed by more than 10 years of experience and a 440MMBTU (130MWh-th) pilot plant in Hamburg, Germany, which is in operation since 2019. The integration of this thermal storage in an existing combined cycle power plant (CCPP) is typical power plant technology without any major technology risks. It allows the storage of inexpensive renewable energy during times of surplus renewable generation and the discharge of this energy in times of high energy demand when the fossil plant is in operation. This supplements the fossil power generation with CO2-emission-free energy. The secondary effect of the CiTES system is that a small part of the stored thermal energy is used to keep the heat recovery steam generator (HRSG) and steam turbine (ST) of the combined cycle power plant in hot and ready-to-start condition. This enables the plant to start rapidly when fossil generation is required to satisfy demand as soon variable generation drops off in the evenings or during cloud cover and calm wind periods. Without pre-warming of the HRSG and ST, the CCPP would need several hours for a cold or warm start, burn a lot of gas and release high NOx emissions during start and wouldn’t be able to use the short times of high energy prices in an efficient or economical manner. The economic parameters of CiTES were determined by a full year “8760” simulation using a data set calculation for each of the hours of the year, and historical electricity and gas prices. For consistency, the simulations were focused on the pre-COVID year 2019. The financially most attractive markets were in the Energy Reliability Council of Texas (ERCOT) region, which allowed substantial value generation with arbitrage (charge with cheap energy during renewable surplus times and discharge when energy is needed and expensive). The improvement of flexibility with the CiTES system by pre-heating and warm-keeping of the CCPP allowed for additional power generation during short time periods when demand is high but renewable generation is down; when the hourly energy prices are highest in these markets. The simulations are based on 2019 data, when ERCOT had 27GW of installed photovoltaic (PV) and wind generation. They showed that the created revenue with the prototypically sized CiTES system of 1,000MMBTU (300MWh-th) falls a little bit short of what is expected from a commercially viable investment. The system has optimization opportunities for cost reduction and increased effectiveness which will be realized during a potential Phase II Pre-FEED study following this project. Furthermore, it is safe to assume that a lot of renewable generation capacity will be added all over the US in the coming years. As an example, ERCOT is predicting to more than double its renewable generation from 27GW in 2019 to a forecasted 63GW in 2023. This will increase the amount of renewable overproduction exponentially. This rapid increase of local overproduction and the need to curtail renewable generation is well documented by the California ISO (www.CAISO.com / managing oversupply). However, the simulations also revealed a weakness in the structure of the electricity markets in the US. More specifically, when electricity prices are very low and approaching negative levels, the owners of Variable Renewable Energy (VRE) will curtail a part of their facility to stabilize the price by reducing supply. This results in a situation in which storage facilities, which are integrated in existing fossil assets and don’t have the behind-the-meter benefit of a VRE, won’t be able to purchase low cost – otherwise curtailed – renewable energy off the grid. A special tariff, which motivates VRE owners to sell otherwise curtailed renewable energy to storage facilities (Hydrogen, thermal, pumped hydro, etc.) can solve this issue. The implementation of such a regulating tariff by Independent System Operators, thus avoiding renewable curtailment, is a pre condition for successful commercialization for renewable energy storage technologies. With this advancement of design and technology and improvements in the market environment, it can be expected that the Combined Cycle integrated Thermal Energy Storage proves itself as an important innovation to keep highly efficient, natural gas-based power generation economically successful and relevant for the power industry in the United States of America.

Wolf, Thorsten↗
DOE OSTI2022

Techno-Economic Analysis of a Cryogenic Flux Capacitor for Grid Storage

Abstract The Cryogenic Flux Capacitor (CFC) is a cold, dense fluid storage core with integrated design features that afford the designer flexibility and provide new possibilities for the storage and discharge of energy. The stored energy, in this case, is represented by hydrogen physically bonded within the nanoscale pores within the aerogel composite blanket material, and the process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (∼1,000 m2/g) allows for storage densities close to, or in some cases exceeding, that of normal boiling point liquids. Its performance easily exceeds what can be achieved via ambient temperature, high-pressure gas storage for an equivalent volume. CFC storage is predicted to be easily scalable, is constructed from readily available commercial materials, lends itself to a range of pressure applications, and is geometry insensitive. The high energy density of CFC-stored hydrogen allows long durations of storage, such as daily to monthly cycling, which corresponds to approximately 10 to 100 hours of duration, respectively. The techno-economic analysis examines different types of hydrogen storage for commercial viability. The assessment includes the use of hydrogen blended with natural gas in a combined cycle gas turbine. The study provides results for a range of blends from 100% natural gas to 100% hydrogen. The required fuel usages are estimated for the intended application in a grid scenario that features large amounts of renewable penetration, 10 hours, and as a baseload, 100 hours. The study presents preliminary estimates of the capital cost of storage and operating cost of storage. In addition, the cost of firing natural gas and capturing the carbon dioxide (CO2) in a carbon capture and sequestration (CCS) system is assessed. Based on the study, it is shown that CFC can competitively meet performance and cost needs for grid-based energy storage.

08 HYDROGEN↗
NASA NTRS1983

The Eddington limit and supercritical accretion. II - Time-dependent calculations

Spherically symmetric, time-dependent accretion of an ionized hydrogen plasma onto a neutron star is calculated for accretion rates in excess of the Eddington limit. The coupled hydrodynamic and frequency integrated radiative transfer equations are solved on an Eulerian grid for these supercritical accretion flows. Our results indicate that steady state flows are limited to rates at or below the critical rate, with emergent luminosities equal to or less than the Eddington luminosity. Initially supercritical accretion rates generate a large pulse of radiation which reduces the accretion rate to the critical value and produces an extended quasi-static envelope.

Burger, H. L.↗
DOE OSTI2023

Grid-Integrated Production of Fischer-Tropsch Synfuels from Nuclear Power

Idaho National Laboratory (INL) investigates the relative economic profitability of an integrated energy system (IES) coupling an NPP with a synfuel production process at selected case study locations across the United States. In the synfuel IES, a high-temperature steam electrolysis (HTSE) plant is thermally and electrically coupled with an NPP to produce zero-carbon hydrogen. The synthetic fuel is produced from this H 2 combined with a CO 2 supply using the reverse water gas shift process followed by the Fischer-Tropsch (FT) reaction. This analysis considers a system in which the CO 2 is sourced from regional CO 2 emitters via the construction and operation of pipeline-based CO 2 supply networks. Locating the FT plant at the same site as the NPP and HTSE plants enables the NPP to provide zero-carbon heat and power to the HTSE plant and zero-carbon power to the FT plant as well as avoid the requirement for long-distance H 2 product transport from the HTSE plant to the FT plant. Hydrogen storage is used to enable the NPP to dispatch power to the electrical grid (instead of the HTSE plant) when grid demand increases, thus enabling the FT plant to continue to operate in a steady-state production mode. The ability to cease hydrogen production for several hours within each day enables the NPP to provide power to the grid to balance the electricity market during peak periods and maximize revenues for the nuclear synfuel IES. The FT process design considered has a 99% carbon conversion efficiency. The use of nuclear energy and nuclear energy-derived hydrogen enables synfuel production to achieve this high level of carbon utilization. Additionally, the life-cycle carbon emissions of the nuclear-based synfuel production process are very low, with WTW emissions of approximately 25 gCO 2 e/MJ, including steam credits (generated from FT process excess heat), and approximately 7 gCO 2 e/MJ, if steam credits are excluded. This compares favorably with the WTW emissions of 90.5 gCO 2 e/MJ for a compression-ignition, direct injection (CIDI) vehicle with a fuel economy of 31.6 miles per gallon gasoline equivalent (MPGGE), using low-sulfur diesel produced using conventional petroleum production and refining processes. Several NPPs in various regions of the U.S. are considered as case study analyses. Supply locations and transportation via pipeline of the CO 2 feedstock to the NPP site are analyzed through the National Energy Technology Laboratory (NETL) CO 2 Transport Cost model. The team finds that the amount of CO 2 generated by different sectors is sufficient for the synfuel production process at all locations considered. The CO 2 transportation costs are functions of the distance of the source to the NPP location, the CO 2 capture cost at the source, and the quantity of CO 2 transported. Historical electricity prices for the NPP case study locations are collected and analyzed. Monthly average prices, price range, and duration of negative-price periods vary among these locations. For each location, an auto-regressive moving average (ARMA) model is trained on historical electricity price data. ARMA validation is done to ensure the synthetic price distributions represent one of historical prices with high fidelity. Synthetic time series from these ARMA models are used in a coupled dispatch and system optimization in the Holistic Energy Resource Optimization Network (HERON) to compute the differential net present value (NPV) of the IES. The team finds that this econometric is positive, ranging from $14M–1.3bn (2020) depending on the location. The optimal synfuel IES configuration to obtain this increase in NPV often maximizes the size of the synfuel production process with regards to the size of the NPP. However, the team shows that the NPP still plays a stabilizing role for the grid: In periods of high prices and high loads, more electricity from the NPP is sent to the grid. A high variability of electricity prices and extreme maximum prices tend to drive up electricity production. While it requires significant investment, the synfuel IES could increase the economic profitability for the existing fleet of LWRs across the country while still maintaining the grid stabilizer role of NPPs. During its lifetime, the main costs for the nuclear synfuel IES are the carbon feedstock transportation costs, followed by the capital expenses (CAPEX) and operation and maintenance (O&M) costs while the revenue comes first from the IRA H 2 production tax credit (PTC) and then from the sales of synfuel products. The profitability of the synfuel IES is most sensitive to the value of the hydrogen PTC and the synfuel products as well as the cost of the carbon feedstock, highlighting the importance of governmental incentives regarding hydrogen, carbon emissions, and synfuel in driving the deployment of future nuclear synfuel IESs.

08 HYDROGEN↗
DOE OSTI2021

Techno-Economic Analysis of Product Diversification Options for Sustainability of the Monticello and Prairie Island Nuclear Power Plants

The objective of this work was to perform techno-economic analysis (TEA) of hybrid options that could be integrated with light water reactor (LWR) nuclear power plants (NPPs) in order to improve the viability and sustainability of existing LWRs through product diversification by utilizing nuclear energy not only to produce grid electricity but to also produce carbon free products such as hydrogen, ammonia or synthetic fuels. Much of the analysis herein could be generally applied to any LWR (high temperature steam electrolysis- HTSE design), but hydrogen demand and the optimization of the HTSE was completed with specific collaboration and data from Xcel Energy’s Prairie Island and Monticello nuclear generating stations and the surrounding market and logistics potential in the greater Minneapolis region. Xcel Energy has set aggressive goals with regards to decarbonization, including an 80% reduction in CO 2 emissions from 2005 levels, by 2030 and 100% carbon free by 2050. Other TEAs regarding hydrogen production with nuclear energy have been completed in collaboration with other utility companies previously. Besides being the first TEA in this regard specific to Xcel Energy and the surrounding markets and logistics, this TEA adds to the previously completed TEAs by providing the most up to date and state of the art analysis and optimization of the hydrogen production plant integrated with nuclear power (NPP-HTSE).

08 HYDROGEN↗
NASA NTRSDate not supplied

TECHNO-ECONOMIC ANALYSIS OF A CRYOGENIC FLUX CAPACITOR FOR GRID STORAGE

The Cryogenic Flux Capacitor (CFC) is a cold, dense fluid storage core with integrated design features that afford the designer flexibility and provide new possibilities for the storage and discharge of energy. The stored energy, in this case, is represented by hydrogen physically bonded within the nanoscale pores within the aerogel composite blanket material, and the process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (~1,000 m2/g) allows for storage densities close to, or in some cases exceeding, that of normal boiling point liquids. Its performance easily exceeds what can be achieved via ambient temperature, high-pressure gas storage for an equivalent volume. CFC storage is predicted to be easily scalable, is constructed from readily available commercial materials, lends itself to a range of pressure applications, and is geometry insensitive.

Joshua Schmitt↗
DOE OSTI2023

Decarbonization of the Chemical Industry Through Electrification: Barriers and Opportunities

The chemical industry is a major source of economic productivity and employment globally and among the top 3 industrial sources of greenhouse gas (GHG) emissions, along with steel and cement. As global demand for chemical products continues to grow, there is an urgency to develop and deploy sustainable chemical production pathways and to reconsider continued investment in current emission-intensive production technologies. This perspective describes the challenges and opportunities to decarbonize the chemical industry via electrification powered by low-carbon electricity supply, both in the near term and long term, and it discusses four technological pathways ranging from the more mature direct substitution of heat with electricity and use of hydrogen to technologically less mature, yet potentially more selective, approaches based on electrochemistry and plasma. Finally, we highlight the key elements of integrating an electrified industrial process with the power sector to leverage process flexibility to reduce energy costs of chemical production and provide valuable power grid support services. Unlocking such plant-to-grid coordination and the four electrification pathways has significant potential to facilitate rapid and deep decarbonization of the chemical industry sector.

chemical synthesis↗
DOE OSTI2024

Optimal Control of SOEC-Based Hydrogen Production Systems for Demand Response Using Deep Reinforcement Learning in Smart Grids

Solid oxide electrolysis cell (SOEC) hydrogen production technology can range in size from small, appliance-size equipment to large-scale, central production facilities that can be tied directly to renewable or non-greenhouse-gas-emitting forms of electricity production, making it an ideal resource for demand response (DR). The SOEC hydrogen production system is a complex integrated system that encompasses fluid dynamics, electrical dynamics, and electrochemical and thermal dynamics, all of which involve non-linearity and non-convexity. Proper control of the SOEC hydrogen production system is crucial to enable its participation in the DR program. Here, to overcome the difficulty of designing an explicit control law for such nonlinear systems with nonconvex optimization features in DR applications, deep reinforcement learning (DRL) is explored to achieve the optimal control of the SOEC system for DR participation. Specifically, a twin delayed deterministic policy gradient (TD3) control framework is applied to achieve optimal response performance during DR events by considering power tracking error and hydrogen production efficiency with a suitable reward function. Two case studies with grid connections for tracking different DR commands were investigated. The first case study involved operating conditions reaching the boundaries, while the second involved operating conditions within the boundaries. The results showed that the proposed DRL-based control for SOEC can track the DR signal in a timely manner while maintaining high energy efficiency.

08 HYDROGEN↗
DOE OSTI2024

An Orbital Basis Set for Double Photoionization of Atoms and Molecules

The ab initio theoretical treatment of one-photon double photoionization processes has been limited to atoms and diatomic molecules by the challenges posed by large grid-based representations of the double ionized continuum wave function. To provide a path for extensions to polyatomics, an energy-adapted orbital basis approach is demonstrated that reduces the dimensions of such representations and simultaneously allows larger time steps in time-dependent computational descriptions of double ionization. Additionally, an algorithm that exploits the diagonal nature of the two-electron integrals in the grid basis and dramatically accelerates the transformation between grid and orbital representations is presented. Excellent agreement between the present results and benchmark theoretical calculations is found for H – and Be atoms, as well as the hydrogen molecule, including for the triply differential cross sections that relate the angular distribution and energy sharing of all of the particles in the molecular frame.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Transforming Energy Through Sustainable Mobility: Expanding Low-Carbon Transportation R&D Solutions

As the nation's premier laboratory for cutting-edge transportation decarbonization research and development solutions, the National Renewable Energy Laboratory (NREL) pioneers the creation and deployment of sustainable mobility technologies and strategies, with a focus on slashing transportation sector greenhouse gas emissions and combatting climate change. Trucks, planes, cargo ships, and other difficult-to-decarbonize vehicles are part of this essential transition for the transportation sector, which is currently the nation's largest source of the greenhouse gas emissions. NREL provides the scientific building blocks needed to spur innovation through multifaceted analysis, research, and engineering. This work acts as a catalyst to help industry bring affordable, high-performance, energy-efficient, and low-emission modes of transport and related infrastructure to market sooner. Our researchers collaborate closely with academic, government, and industry partners to design better batteries, drivetrains, and engines. They develop technologies for high-power charging, thermal management, energy storage, and power electronics. They are also reimagining fuels and combustion while creating sustainable lightweight materials. Unbiased expert guidance - backed by credible data and analysis, tools, and scientific rigor - empowers partners to make informed decisions about sustainable transportation. NREL recognizes that communities with limited mobility options face reduced access to employment opportunities, health care, and education, lowering overall quality of life. Alongside partners, NREL experts are creating transportation solutions that meet community-identified needs and increase mobility equity in historically underserved and overburdened communities. Rather than providing a one-size-fits-all solution, we take an interdisciplinary approach to mobility equity that considers the needs and challenges of diverse groups, maximizing benefits at the individual, community, and societal levels.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Identifying Opportunities and Recommendations for the Integration of Advanced Reactors for Industrial Heat and Electricity Users

Nuclear power in the United States has been used traditionally to provide baseload electric power to the grid. Advancements in nuclear power to create smaller and safer reactors have renewed interest in nuclear as a source of both heat and electricity for a variety of applications. There is great interest in coupling nuclear reactors with industrial applications because nuclear power is a low carbon energy source that can be utilized for process heating, hydrogen generation, on-site electricity demand, and more. Idaho National Laboratory is developing guidelines to identify and assist industrial heat and electricity decarbonization by integrating with nuclear power plants (NPPs) to provide clean, abundant, and dispatchable energy. Considerations include specific industrial hazards which impact NPP siting, heat transport requirements and associated technologies, and implementation feasibility based on site-specific demand profiles. To assess integration feasibility, facility process models are developed based on real data obtained from a survey of baseline requirements and process information from industrial facilities in the United States. An assessment of safety and siting requirements is also performed to determine how nuclear industrial pairings could meet licensing requirements for NPPs. In addition, site characterization of an industrial plant is essential to determining the feasibility and suitable integration methods for each industry. Characterization includes facility distance from the nearest population center, site size, rail or water transport availability, and proximity to undeveloped land. These characteristics are important to determine reactor- or industry-side design requirements for safe, efficient operation. The siting and technical data assessment will reveal opportunities for single-use nuclear integration and co-location opportunities for industries to share benefits from a single reactor. In addition to existing facilities, this “energy-park” style cooperation could include new construction like data centers which can cost-share energy investments or provide a stable demand-and-revenue stream to the investor. Deliverables will contain a library of documents and models to guide various industries toward understanding nuclear technologies based on their users’ needs. This paper is a summary of the current project status, and provides insights on suitable pairings for specific industries and reactor technologies

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

NPP Simulators for Coupled Thermal and Electric Power Dispatch

The Light Water Reactor Sustainability (LWRS) program within the United States Department of Energy supports extending the operation of the U.S. commercial nuclear power plant (NPP) fleet. Within the LWRS program, the Flexible Plant Operation and Generation (FPOG) Pathway works to diversify the revenue streams of light water reactors (LWRs) by opening opportunities for the co-generation of non-electric products in addition to supplying electrical power to the grid. Recent events have added greater motivation to these efforts. For example, the recent Inflation Reduction Act (IRA) passed by the U.S. federal government offers substantial tax incentives for producing clean hydrogen, the technology readiness level of dispatchable and high-efficiency hydrogen production has dramatically increased in a short time, and societal response to world climate change is driving a transition away from fossil fuels. Producing hydrogen with maximum efficiency using nuclear power requires dispatching both electrical and thermal power from the nuclear plant to the hydrogen plant, so testing concepts of operations for combined electrical and thermal power dispatch (TPD) from an NNP to a hydrogen plant is of interest. This report documents achievement of the Light Water Reactor Sustainability (LWRS) program milestone “Install and demonstrate a vendor-developed simulator on the Human Systems Simulation Laboratory (HSS) for dispatch of LWR electrical power to a close-coupled electrolysis plant” with a due date of Dec. 22, 2022. Several factors provide motivation for this effort. Coupling the power generation deck of a nuclear power plant to a hydrogen production facility introduces new possibilities for operational transients that must be addressed. In particular, the performance of the integrated system during startup and shutdown of the hydrogen production facility, as well as offnormal conditions, need to be evaluated to ensure there are no adverse effects on the operation of the existing NPP. The concept of operations involving the NPP, the hydrogen plant, and the electric power grid must be tested using NPP simulators and operating procedures that have been modified for TPD operations. These tests must also include dynamic simulations of the coupled tertiary thermal and electric loads as well as coordinated activities with NPP operators, tertiary load operators and grid power coordinators. The report summarizes progress in developing and testing full-scope NPP simulators at the HSSL, including a generic BWR simulator from GSE Systems, Inc. and generic PWR simulator from Westinghouse. In the case of the TPD-GBWR Simulator from GSE Systems, Inc., a BWR is thermally coupled to a high temperature electrolysis (HTE) plant that produces hydrogen and oxygen from de-ionized water. The hydrogen plant is not explicitly simulated but only included as a transient heat sink. A thermal power dispatch (TPD) system transfers heat between the steam systems at the BWR and the hydrogen plant. Operational results from two versions of the modified simulator are presented. The first version uses synthetic oil as a heat transfer fluid in a closed delivery heat loop (DHL) that generates steam at the hydrogen plant. The second version uses steam as the heat transfer fluid in a delivery steam line (DSL) to provide steam to the hydrogen plant. For both versions, the estimated thermal power delivery distance is approximately one kilometer. The amount of thermal power dispatched in the simulators is 15% of the total reactor thermal power such that the simulators provide a tool to study the feasibility of coupling a BWR to industrial processes that benefit from a combination electrical and thermal power dispatch. Ongoing work within a CRADA is also developing a full-scope PWR simulator provided by Westinghouse for both thermal and electric power coupling. This simulator is based on a PWR plant with two three-loop Westinghouse reactors. Westinghouse PWRs are sufficiently similar that a simulator of a three-loop reactor is an appropriate representation for two-loop and four-loop PWR reactors. The three-loop simulator will initially be modified for close-coupling to a 100 MW HTE hydrogen production plant that will require approximately 25 MW of thermal power while operating at its maximum rated capacity. The simulator testing will include full coupling to dynamic simulations of a hydrogen production plant and a representative bulk electric grid. The simulator provided by Westinghouse is similar to the GPWR simulator that INL has already obtained from GSE Systems but has a few important added benefits. First, the Westinghouse simulator is based on digital controls and has additional screens that can be called up to show parameter trends to assist operators in decision-making. The Westinghouse simulator also has upgrades to the controls and hardware representations, such as valve actuators, that make it more realistic and flexible in terms of accurately sim

99 GENERAL AND MISCELLANEOUS↗