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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Spent Nuclear Fuel and Reprocessing Waste Inventory

This report provides information on the inventory of spent nuclear fuel (SNF) in the United States located at Nuclear Power Reactor (NPR) and Independent Spent Fuel Storage Installation (ISFSI) sites, as well as SNF and reprocessing waste located at U.S. Department of Energy (DOE) sites and other research and development (R&D) centers. Actual or estimated quantitative values for current inventories are provided along with inventory forecasts derived from examining different future nuclear power generation scenarios. The report also includes select information on the characteristics associated with the wastes examined (e.g., type, packaging, heat generation rate, decay curves).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Spent Nuclear Fuel and Reprocessing Waste Inventory: Spent Fuel and Waste Disposition

This report provides information on the inventory of spent nuclear fuel (SNF) in the United States located at Nuclear Power Reactor (NPR) and Independent Spent Fuel Storage Installation (ISFSI) sites, as well as SNF and reprocessing waste located at U.S. Department of Energy (DOE) sites and other research and development (R&D) centers as of the end of calendar year 2021. Actual or estimated quantitative values for current inventories are provided along with inventory forecasts derived from examining different future nuclear power generation scenarios, based on information available and assumptions made at the time the scenarios were developed in the spring of 2022. The report also includes select information on the characteristics associated with the wastes examined (e.g., type, packaging, heat generation rate, decay curves).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Spent Nuclear Fuel and Reprocessing Waste Inventory

This report provides information on the inventory of spent nuclear fuel (SNF) in the United States located at Nuclear Power Reactor (NPR) and Independent Spent Fuel Storage Installation (ISFSI) sites, as well as SNF and reprocessing waste located at U.S. Department of Energy (DOE) sites and other research and development (R&D) centers as of the end of calendar year 2024. Actual quantitative values for current inventories are provided along with inventory forecasts derived from examining different future nuclear power generation scenarios, based on information available and assumptions made at the time the scenarios were developed. The report also includes select information on the characteristics associated with the wastes examined (e.g., type, packaging, heat generation rate, decay curves).

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

The relationship between gene traits and transcription in soil microbial communities varies by environmental stimulus

Codon and nucleotide frequencies are known to relate to the rate of gene transcription, yet how these traits shape transcriptional profiles of soil microbial communities remains unclear. Here we test the prediction that functional genes with high codon optimization and energetically lower cost nucleotides (i.e., nucleotides requiring less adenosine triphosphate (ATP) for synthesis) have higher transcriptional expression in a soil microbial community. In laboratory incubations, we subjected an agricultural soil to two separate short-term environmental changes: labile carbon (glucose) addition or a sudden 30-min increase in temperature from 20 °C to 60 °C. Using the total genomic codon frequencies to predict preferred codon usage for each taxon, we then estimated codon optimization for each transcript. On the community level, we found a higher average level of codon optimization after the addition of glucose. Synonymous nucleotide composition in the transcript pool also shifted towards energetically cheaper nucleotides, favoring uracil (U) over adenine (A) and cytosine (C) over guanine (G). Similarly, we found that encoded amino acid usage shifted towards energetically cheaper amino acids in response to labile carbon. In contrast, in communities responding to heat shock, there were no significant differences in the averaged gene traits of expressed transcripts. We used metagenome-assembled-genomes to further examine the ability of gene traits to predict transcriptional responses within and between taxa. We found that traits of individual genes could not reliably predict the level of transcription of a gene within or between taxa—highlighting the limits of this approach. However, we did find that when traits were averaged across several related genes, codon optimization was able to predict levels of transcription in metabolic pathways associated with growth and nutrient uptake in response to glucose. Similar relationships were not observed in response to heat, or for functions associated with stress—such as genes associated with sporulation or heat shock. These results demonstrate that gene traits, such as codon usage, nucleotide selection, and amino acid selection, relate to the transcriptional expression of genes in soil microbial communities and suggests that these relationships may be dependent on both gene function and the specific type of environmental stimuli.

Biological and medical sciences↗
DOE OSTI2022

Heat transfer/storage fluids and systems that utilize such fluids

Heat transfer/storage fluids that are resistant to oxidation in air at elevated temperatures, and systems that utilize such heat transfer/storage fluids, for example, as part of a concentrating solar power (CSP) system or other electricity-generating systems. The heat transfer/storage fluid is a molten chloride solution comprising two or more chlorides selected from the group consisting of CaCl 2 , SrCl 2 , BaCl 2 , NaCl, and KCl.

Sandhage, Kenneth Henry↗
DOE OSTI2024

Comparative Analysis of Heat Exchangers for High Temperature High Pressure Helium Component Testing

Helium gas loops have been designed and built to gain a better understanding of the gas thermohydraulic phenomena that take place in a helium system. Some of these loops are used for validation and testing of components for high temperature gas-cooled reactors (HTGRs). However, most of them operate at lower pressure and temperature than an HTGR. While these loops can provide valuable information about gas-cooled reactor components, the operating envelope of the experiment is constrained by the maximum operating conditions of the helium loop. In response to the lack of an experimental facility that can provide the infrastructure needed to validate and test components at nominal pressures and temperatures of HTGRS, the HElium Component Testing Out-of-pile Research (HECTOR) facility was designed at Idaho National Laboratory with the assistance of University of Idaho and Walsh Engineering. With the capability to test at temperatures up to 800°C and pressures of 8MPa, HECTOR serves as a critical tool for the advancement of HTGR technology. The facility's primary role is to provide a controlled, high-fidelity environment for the assessment of component resilience and efficiency under nominal HTGR conditions. In the quest to enhance the efficiency and performance of HECTOR, a comparative analysis of three distinct types of heat exchangers—shell and tube, offset strip fin, and printed-circuit—was conducted, focusing primarily on two critical metrics: the required surface area and pressure drop characteristics. The shell and tube heat exchanger, renowned for its robust design and widespread industrial application, was evaluated against the offset strip fin and the cuttingedge printed-circuit heat exchangers, both of which are lauded for their compactness and thermal effectiveness. This comparative study aims to provide detailed insights into the thermal management capabilities of each heat exchanger type under the conditions inherent to HECTOR, thereby facilitating an informed selection for systems demanding high operational integrity and efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Exploring the dependence of gas cooling and heating functions on the incident radiation field with machine learning

ABSTRACT Gas cooling and heating functions play a crucial role in galaxy formation. But, it is computationally expensive to exactly compute these functions in the presence of an incident radiation field. These computations can be greatly sped up by using interpolation tables of pre-computed values, at the expense of making significant and sometimes even unjustified approximations. Here, we explore the capacity of machine learning to approximate cooling and heating functions with a generalized radiation field. Specifically, we use the machine learning algorithm XGBoost to predict cooling and heating functions calculated with the photoionization code cloudy at fixed metallicity, using different combinations of photoionization rates as features. We perform a constrained quadratic fit in metallicity to enable a fair comparison with traditional interpolation methods at arbitrary metallicity. We consider the relative importance of various photoionization rates through both a principal component analysis (PCA) and calculation of SHapley Additive exPlanation (shap) values for our XGBoost models. We use feature importance information to select different subsets of rates to use in model training. Our XGBoost models outperform a traditional interpolation approach at each fixed metallicity, regardless of feature selection. At arbitrary metallicity, we are able to reduce the frequency of the largest cooling and heating function errors compared to an interpolation table. We find that the primary bottleneck to increasing accuracy lies in accurately capturing the metallicity dependence. This study demonstrates the potential of machine learning methods such as XGBoost to capture the non-linear behaviour of cooling and heating functions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Heat Battery for Electrical Grid Energy

In this paper, the fundamental principles from the Georgetown Systems Engineering Fundamentals course will be leveraged to provide a viable solution to the problem of providing cost effective energy storage for renewable electricity generation. As described in the need statement, this is necessary due to the non-dispatchable nature of renewable energy sources. Upon describing the need, several key stakeholders were identified, who may or may not directly interact with the system. They provided several characteristics and capabilities that the system should contain, as well as specific key acceptance criteria which serve as a pass/fail metric for the concept selection process. Out of three different concepts, a Pugh matrix was used to determine that a heat battery system would be the right fit for the scope of work needing to be done.

25 ENERGY STORAGE↗
DOE OSTI2022

A continuum model for heat and mass transfer in moving-bed reactors for thermochemical energy storage

In this work, a continuum heat and mass transfer model coupling transport phenomena and high-temperature thermochemical reactions is developed for stationary packed-bed and counter-flow moving-bed reactors. After presenting the general modeling framework, we focus on the 2D axisymmetric version of the model for which validation is conducted with experimental results for a packed-bed reactor in the literature for manganese-iron oxide reduction/oxidation and an in-house counter-flow moving-bed reactor for magnesium-manganese oxide reduction up to 1450 °C. Transient simulation results including the local distributions of gas/solid temperatures, oxygen concentration and the extent of reaction, as well as the various energy flow components and energy conversion efficiencies are reported. The results based on the 2D axisymmetric model are also compared with those obtained from a previous 1D model. The comparison shows that capturing the radial variation is critical in reactor modeling and the 2D results demonstrate improved agreement with experiments. Specifically, large temperature variations along the radial direction are observed especially in the reaction zone; this non-uniform radial temperature distribution has a significant effect on the chemical reaction extent due to its strong dependence on temperature; and the overall oxygen concentration at the reactor exit and the predicted system efficiency are slightly lower in the 2D model compared to the 1D model. Finally, the present heat and mass transfer model can provide valuable insights into reactor design, scale-up, and operating conditions selection to maximize system energy storage efficiency.

25 ENERGY STORAGE↗
DOE OSTI2023

Small Reactors in Microgrids: Technology Modeling and Selection (Net-Zero Microgrid Program Project Report)

This report demonstrates the capabilities of the net-zero microgrid (NZM) Xendee platform for modeling an SR module with electricity, heat extraction and thermal storage in microgrids configurations. The model effectively captures the most important technical and economic considerations for SR technology specific analysis: cost and operational characteristics of SR technology and financial costs and incentives. The model can analyze multiple scenarios to establish metrics for cost-competitive and zero-carbon microgrids connected to the grid or completely isolated. The model is fully integrated within the Xendee platform for modeling and analysis of clean energy microgrids with storage and generation from renewable energy sources. The model captures the capabilities, constraints, and nuances of SR by incorporating parameters related to plant economics, design efficiency and performance, plant operation and component and fuel lifespan. The cost and operational parameters modeled in the SR module are specific to the technology selected for integration in the microgrid. Cost parameters recognize advanced nuclear technology for modular production and installation based on economies of scale from factory manufacture and related commissioning, and cost reduction through technology maturation—first-of-a-kind (FOAK) and nth-of-a-Kind (NOAK). The cost parameters include installation, operations and maintenance (O&M), fuel refueling cycle, and reactor life. Installation cost reflects economies of scale due to unit sizing at scale and colocation. O&M economies of scale for both fixed- and variable-cost fuel life-cycle costs are incurred at every refueling interval, with separate front- and back-end fuel costs, as well as waste-handling and disposition costs. This report investigates key characteristics of different SR technologies suitable for microgrid applications, including design principles, sizing, coolant properties, temperature ratings, fuel structures, and life-cycle considerations. This also includes fuel technologies applicable to these SR systems, alongside strategies for nuclear-waste and spent-fuel management and approaches to address safety, security, and proliferation challenges. Four primary groups of SR technologies are examined: water-cooled, liquid-metal-cooled, high-temperature gas-cooled, and molten-salt-cooled systems. In this report, an initial guideline for technology selection is established, aligning the characteristics of the technologies with the requirements of microgrids. The selection of technology in a microgrid is influenced by various factors, including financial capacity, location and accessibility, demand type and characteristics, reliability and resilience requirements, area constraints, and the lifespan of the microgrid. The types of electrical and non-electrical applications within the microgrid also play a significant role in technology selection. The characteristics of SRs, such as their smaller size, modularity, transportability, long refueling interval, improved safety features, ability to operate in autonomous or semi-autonomous mode, and provision of high-grade heat, are particularly appealing for microgrids. Furthermore, a list of considerations for implementing SRs in microgrids is outlined. The SR model is created to be continuously improved with the acquisition of actual data on investment and operational costs, experience with supply chains, production at scale, and field deployments. In the near term, performance data on applications in microgrids will become available from lessons learned from laboratory tests, such as those planned for the Microreactor Applications Research Validation and Evaluation Project (MARVEL), led by Idaho National Laboratory (INL). The SR model incorporates scenario data and known SR design specifications, enabling technoeconomic analysis for SR deployment in microgrids. It specifically considers the distinctive attributes of SRs as generators in technoeconomic studies. SRs can be modeled and analyzed with generation from renewable-energy sources, energy storage, and flexible loads over a range of functionality and applications. This offers a comprehensive tool for feasibility studies, scenario development, and sensitivity analysis for “what-if” consideration of any range of assumptions about SRs in microgrids and other aggregations of distributed-energy resources, including virtual power plants.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Microwave-assisted, performance-advantaged electrification of propane dehydrogenation

Nonoxidative propane dehydrogenation (PDH) produces on-site propylene for value-added chemicals. While commercial, its modest selectivity and catalyst deactivation hamper the process efficiency and limit operation to lower temperatures. We demonstrate PDH in a microwave (MW)–heated reactor over PtSn/SiO 2 catalyst pellets loaded in a SiC monolith acting as MW susceptor and a heat distributor while ensuring comparable conditions with conventional reactors. Time-on-stream experiments show active and stable operation at 500°C without hydrogen addition. Upon increasing temperature or feed partial pressure at high space velocity, catalysts under MWs show resistance in coking and sintering, high activity, and selectivity, starkly contrasting conventional reactors whose catalyst undergoes deactivation. Mechanistic differences in coke formation are exposed. Gas-solid temperature gradients are computationally investigated, and nanoscale temperature inhomogeneities are proposed to rationalize the different performances of the heating modes. The approach highlights the great potential of electrification of endothermic catalytic reactions.

42 ENGINEERING↗
DOE OSTI2025

Selective electrified polyethylene upcycling by pore-modulated pyrolysis

Plastic waste is a increasing problem, accumulating in landfills and the environment. Pyrolysis is a promising and industrially relevant approach for transforming plastic waste into value-added chemicals. However, the selectivity and yield of traditional plastic pyrolysis are poor, with products featuring broad molar mass distributions. Here we report a highly selective, energy-efficient and catalyst-free pyrolysis method that can upcycle plastic into value-added chemicals via pore-modulated pyrolysis. Using a Joule-heated carbon column, we demonstrate the pivotal role of the reactor’s graded porous structure in decreasing the polydispersity of the reaction intermediates, enabling high product selectivity and yield. The decreasing pore size of the reactor modulates the mass transport in an apparent gating effect—preventing high-molar-mass species from exiting the reactor before sufficient pyrolysis has occurred. Using polyethylene as a model reactant, we demonstrate a high yield of 65.9 ± 5.2% and up to 80.8% selectivity toward value-added aviation fuel precursor (C8–C18 hydrocarbons) without the use of any catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High operating temperature heat transfer fluids for solar thermal power generation. Final report

This is the final technical report for the DOE MURI project on developing high-operating temperature heat transfer fluids for solar thermal power generation. This project aimed to evaluate liquid metals as a heat-transport fluid and potential energy storage medium for concentrated solar powered (CSP) systems. The project consisted of five phases, starting with fluid selection and screen and ending with potential CSP integration. The initial fluid selection arrived at heavy liquid metals as candidate fluids such as lead bismuth eutectic (LBE) as the prime liquid-alloy candidate to be studied, given the conditions above. Fifty-seven liquid compositions were initially identified with liquidus temperatures lower than 200°C, composed of elements that provide no driving force to the reduction of Cr 2 O 3 or Al 2 O 3 passivation layers in pipe material which is required for corrosion prevention. LBE was identified as the primary candidate fluid after these compositions were compared against computational thermodynamic modeling to screen all of the selected systems that would be compatible with our design objectives. Twenty-eight of these compositions were also investigated with the rapid characterization methods; the accuracies of the liquidus temperature and the specific heats predicted by the computations were better than 3 percent and 9 percent, respectively. We conducted numerus corrosion tests of various Fe-Cr-Al based steels in LBE and its variants at temperate as high as 800°C. It was found that minor additions to the liquid did not provide sufficient corrosion protection to warrant their use in real applications. Furthermore, we investigated the detailed mechanism of corrosion between heavy liquid metal and the pipe material at these very high temperatures. A liquid metal loop was constructed to operate at these high temperatures. The loop construction and operation lead to valuable lessons learned that will be needed for industrial scale loops. Furthermore, we learned that electromagnetic pumps at these extreme temperatures will have to be reengineered and redesigned to be used for CSP applications.

14 SOLAR ENERGY↗
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 OSTI2020

How equation of state selection impacts accuracy near the critical point: Forced convection supercritical CO 2 flow over a cylinder

Increasing application of supercritical fluids leads to increased use of numerical simulations to guide designs. However, the impact of Equations of State (EoS) selection on computational cost and accuracy is not well understood. Laminar flow around a heated cylinder is used as a test case. A robust matrix of 99-simulations is used to analyze the flow of carbon dioxide just above the critical point at the isobaric condition of 8 MPa and temperatures between 305 and 390 K. Four EoS were studied: Ideal Gas Law, cubic EoS’s Peng-Robinson and Soave-Redlich-Kwong, and the Span-Wagner EoS. Results were identical for isothermal cases, but for heated or cooled cases, the high-fidelity Span-Wagner EoS simulations presented drastically different wake structures. Compared to the high-fidelity SW EoS, cEoS’s underestimated Nu values by up to 38% and cEoS’s underestimated CD values by 18–42%. In conclusion, the Span-Wagner EoS required only 17% more computation time then the cubic EoS simulations, making the Span-Wagner EoS recommended for engineering design.

42 ENGINEERING↗
DOE OSTI2021

A Model for Atomic Precision p-Type Doping with Diborane on Si(100)-2×1

Diborane (B 2 H 6 ) is a promising molecular precursor for atomic precision p-type doping of silicon that has recently been experimentally demonstrated. In this study, we use density functional theory (DFT) calculations to determine the reaction pathway for diborane dissociating into a species that will incorporate as electrically active substitutional boron after adsorbing onto the Si(100)-2×1 surface. Our calculations indicate that diborane must overcome an energy barrier to adsorb, explaining the experimentally observed low sticking coefficient (<1 × 10 –4 at room temperature) and suggesting that heating can be used to increase the adsorption rate. Upon sticking, diborane has an ≈50% chance of splitting into two BH 3 fragments versus merely losing hydrogen to form a dimer such as B 2 H 4 . As boron dimers are likely electrically inactive, whether this latter reaction occurs is shown to be predictive of the incorporation rate. The dissociation process proceeds with significant energy barriers, necessitating the use of high temperatures for incorporation. Using the barriers calculated from DFT, we parameterize a Kinetic Monte Carlo model that predicts the incorporation statistics of boron as a function of the initial depassivation geometry, dose, and anneal temperature. Our results suggest that the dimer nature of diborane inherently limits its doping density as an acceptor precursor and furthermore that heating the boron dimers to split before exposure to silicon can lead to poor selectivity on hydrogen and halogen resists. This suggests that, while diborane works as an atomic precision acceptor precursor, other non-dimerized acceptor precursors may lead to higher incorporation rates at lower temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Computational Discovery of Intermolecular Singlet Fission Materials Using Many-Body Perturbation Theory

Intermolecular singlet fission (SF) is the conversion of a photogenerated singlet exciton into two triplet excitons residing on different molecules. SF has the potential to enhance the conversion efficiency of solar cells by harvesting two charge carriers from one high-energy photon, whose surplus energy would otherwise be lost to heat. The development of commercial SF-augmented modules is hindered by the limited selection of molecular crystals that exhibit intermolecular SF in the solid state. Computational exploration may accelerate the discovery of new SF materials. The GW approximation and Bethe–Salpeter equation (GW+BSE) within the framework of many-body perturbation theory is the current state-of-the-art method for calculating the excited-state properties of molecular crystals with periodic boundary conditions. In this Review, we discuss the usage of GW+BSE to assess candidate SF materials as well as its combination with low-cost physical or machine learned models in materials discovery workflows. We demonstrate three successful strategies for the discovery of new SF materials: (i) functionalization of known materials to tune their properties, (ii) finding potential polymorphs with improved crystal packing, and (iii) exploring new classes of materials. In addition, three new candidate SF materials are proposed here, which have not been published previously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Gen 3 Particle Pilot Plant (G3P3) -- High-Temperature Particle System for Concentrating Solar Power (Phases 1 and 2)

The U.S. Department of Energy Solar Energy Technologies Office initiated the Generation 3 Concentrating Solar Power (CSP) program to achieve higher operating temperatures (>700 °C) to enable next-generation CSP high-temperature power cycles such as the supercritical CO 2 (sCO2) Brayton Cycle. Three teams were selected to pursue high-temperature gas, liquid, and solid pathways for the heat-transfer media. Phases 1 and 2, which lasted from 2018 – 2020, consisted of design, modeling, and testing activities to further de-risk each of the technologies and develop a design for construction, commissioning, and operation of a pilot-scale facility in Phase 3 (2021 – 2024). This report summarizes the activities in Phases 1 and 2 for the solid-particle pathway led by Sandia National Laboratories. In Phases 1 and 2, Sandia successfully de-risked key elements of the proposed Gen 3 Particle Pilot Plant (G3P3) by improving the design, operation, and performance of key particle component technologies including the receiver, storage bins, particle-to-sCO2 heat exchanger, particle lift, and data acquisition and controls. Modeling and testing of critical components have led to optimized designs that meet desired performance metrics. Detailed drawings, piping and instrumentation diagrams, and process flow diagrams were generated for the integrated system, and structural analyses of the assembled tower structure were performed to demonstrate compliance with relevant codes and standards. Instrumentation and control systems of key subsystems were also demonstrated. Together with Bridgers & Paxton, Bohannan Huston, and Sandia Facilities, we have completed a 100% G3P3 tower design package with stamped engineering drawings suitable for construction bid in Phase 3.

14 SOLAR ENERGY↗