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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 OSTI2022

Facilitated Direct Liquid Fuel Cells with High Temperature Membrane Electrode Assemblies

Dimethyl ether (DME) is a liquid fuel of great potential impact due to its exceptionally high energy density. However, it has received minimal prior investigation as an alternative to either purified hydrogen or other liquid fuels, including methanol (MeOH). In the limited published literature work on direct dimethyl ether fuel cells, regardless of operating temperature, PtRu (either supported or unsupported on carbon) has been established as the standard catalyst of choice. The majority of the work in this program also utilized a Johnson Matthey (JM) HiSPEC ® 12100 PtRu/C (nominally 50% Pt, 25% Ru) while looking at electrode optimizations, beginning of life (BoL) performance, pressure- and temperature-dependent studies to look at the effect of binding affinity of DME oxidation intermediates, mass transport effects, crossover studies, and durability. However, it does also investigate some promising alternatives to PtRu/C as well, which should be investigated in more detail in further work. Those catalysts include a pair of ternary PtRuPd/C catalysts (from Los Alamos National Laboratory (LANL) and Pajarito Powder, LLC. (PP)) as well as a Pt 2 Bi Black catalyst from Professor Anastasios Angelopoulos of the University of Cincinnati (UC). This work achieved several project objectives, including an optimization of the membrane electrode assembly (MEA) process using PtRu/C anode catalyst. Additionally, these direct dimethyl ether fuel cells (DDFCs) were able to match or exceed many performance metrics for the state-of-the-art (SOA) direct methanol fuel cells (DMFCs), a primary and more evolved competitor to direct dimethyl ether fuel cells. This included peak specific power, total platinum group metal (PGM) loading, crossover current, degradation rate, start/stop cycling losses, and anode specific current.

09 BIOMASS FUELS↗
DOE OSTI2022

Protonated phosphonic acid electrodes for high power heavy-duty vehicle fuel cells

We report that state-of-the-art automotive fuel cells that operate at about 80 °C require large radiators and air intakes to avoid overheating. High-temperature fuel cells that operate above 100 °C under anhydrous conditions provide an ideal solution for heat rejection in heavy-duty vehicle applications. Here we report protonated phosphonic acid electrodes that remarkably improve the performance of high-temperature polymer electrolyte membrane fuel cells. The protonated phosphonic acids comprise tetrafluorostyrene-phosphonic acid and perfluorosulfonic acid polymers, where a perfluorosulfonic acid proton is transferred to the phosphonic acid to enhance the anhydrous proton conduction of fuel cell electrodes. By using this material in fuel cell electrodes, we obtained a fuel cell exhibiting a rated power density of 780 mW cm -2 at 160 °C, with minimal degradation during 2,500 h of operation and 700 thermal cycles from 40 to 160 °C under load.

25 ENERGY STORAGE↗
DOE OSTI2023

Enhancing the Chemical Energy Flux in a High-Temperature Tubular Counterflow Solid Fuel Synthesis Reactor Using a Bypass

Redox reactions of metal oxides offer a path towards using intermittent renewable resources for high-density thermochemical energy storage. Thermochemical energy storage often involves the flow of a particulate media. We describe a novel method to increase the throughput in a gravity-driven high-temperature thermochemical storage reactor flowing pelletized MgMnO. The moving bed reactor operates under counter-flow conditions and encounters particle flowability problems at temperatures of 1500 °C leading to sintering of the bed. Inertial forces of a counter-flowing gas can overcome the gravitational forces on the particles and limit the chemical energy storage rate of the reactor. We found that the insertion of a gas bypass (a slotted tube) into the reactor results in a 100% increase of the flow rates and achieved a 50% higher chemical energy storage flux compared to the operation without a bypass tube while mitigating the effects of sintering on the particles. As a result, the higher solid flow rates require a longer heated zone to reach a comparable residence time and extent of reduction compared to the lower flow rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Strategies for Fabricating Molybdenum Structures Using Laser Powder Bed Fusion

Advances in manufacturing techniques are viewed as enabling technologies for development of high performance nuclear fuel forms that couple high uranium density with improvements to key properties such as thermal conductivity unattainable through conventional fabrication routes. Additive manufacturing (AM) enables the fabrication of complex fuel geometries that are difficult or impossible to achieve using conventional manufacturing methods. Melting-based AM processes, such as laser powder bed fusion (LPBF), provide high geometric resolution (>200 µm depending on the feature) across a variety of metal alloys, including those suitable for high-temperature fuel cladding applications, such as Nb, W, and Mo. Molybdenum is particularly attractive due to its high thermal conductivity, low thermal expansion, and excellent mechanical stability at elevated temperatures. However, its high melting temperature and brittle nature at low temperatures pose significant challenges during LPBF processing. Rapid solidification inherent to LPBF induces high residual stresses, often leading to post-solidification cracking, which limits the manufacturability of Mo components via this method.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Initial Evaluation of Microreactor Disposition Options

The United States Department of Energy is supporting the U.S advanced reactor industry through funding, legislation and regulatory development to actively pursue several microreactor design concepts. The Idaho National Laboratory (INL) is strategically positioned to support demonstration of microreactor technology in the next three to five years. This report provides and initial evaluation of the disposition options for microreactor spent nuclear fuel (SNF) generated as part of the microreactor technology demonstration program. Currently available information constitutes the basis for the options identified and discussions thereof. In the absence of detailed microreactor design information, assumptions were made to facilitate the identification of disposition options Particulars pertaining to any component of an identified disposition pathway are naturally highly microreactor design specific and in general such details are not provided. The diverse nature of potential microreactor SNF is reflected in the diverse nature of DOE owned SNF stored at INL. Therefore, it is anticipated that DOE currently stores and manages fuels that can serve as analogs for most microreactor fuel concepts. As such disposition options for microreactor SNF are expected to be much the same as that for these existing fuels. Two generic microreactor concepts have been selected for the purposes of this options assessment. The selected reactor concepts are a tristructural isotropic (TRISO) fueled high temperature gas reactor concept and a sodium/potassium bonded heat pipe reactor with uranium oxide fuel. Both concepts are assumed to be using high-assay low enriched uranium (HALEU) as the initial fuel composition. Interim storage, treatment and neutralization, material recovery, packaging and extended dry storage options are identified these reactors. The disposition options include existing INL facilities and capabilities and new facilities and capabilities developed as part of the microreactor program or as part of DOE's overall strategy for the eventual transfer of all SNF at INL to a permanent repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Phosphonated polymers, and methods of production thereof, for use as polymer electrolyte membranes (PEMs) and/or catalyst ionomeric binders for electrodes in PEM fuel cells

The present disclosure provides phosphonated polymers that can be used, for example, as polymer electrolyte membranes (PEMs) and/or catalyst ionomeric binders for electrodes in PEM fuel cells, and more particularly for high-temperature PEM fuel cells. High-temperature PEM fuel cells that use phosphonated polymers of the present disclosure suffer from reduced or no acid leaching because, in at least some examples, phosphonic acid moieties are covalently bound to the backbone of the polymers. A phosphonated polymer include a backbone having one or more aromatic monomers, with each aromatic monomer having one or more phosphonic acid groups. A phosphonic acid group may include phosphonic acid or a functional group that is hydrolysable into phosphonic acid.

Park, Eun Joo↗
DOE OSTI2023

DOE Advanced Gas Reactor Fuel Development and Qualification Program Overview

Slides discussing the DOE Advanced Gas Reactor Fuel Development and Qualification Program Overview to include focus on LEU UCO TRISO fuel in cylindrical compacts, with data for fuel qualification in support of reactor licensing and a path to establish a domestic commercial TRISO fuel fabrication capability. Timelines from 2004 through 2029. Major program highlights include: Developed fuel performance models based on past observed behavior, Study to understand differences between US and German (“good”) fuel, Developed and improved fuel fabrication and characterization methods, Fabricated lab-scale fuel (AGR-1) with very high quality; excellent in-pile and post-irradiation high-temperature fuel performance, Scale-up coating fabrication (AGR-2) with excellent in-pile performance, AGR-3/4 fuel fabrication and irradiation experiment to assess FP transport behavior, Scale-up matrix fabrication (AGR-5/6/7); & fuel performance evaluation in progress.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Editorial: Benchmark experiments, development and needs in support of advanced reactor design

Advanced nuclear reactor designs will for the most part be a departure from low enrichment light water reactor (LWR) designs currently operated around the world. Such advanced designs include but are not limited to new TRISO-fueled high temperature gas reactors, heat-pipe cooled micro-reactors, fluoride salt cooled high-temperature reactors, molten salt reactors, lead cooled fast reactors, nuclear thermal propulsion concepts, and include LWR designs with advanced fuel and clad types. Modeling and simulation methods for advanced reactors is necessary for regulators to approve license requests. However, regulators also require that modeling approaches be validated against experimental measurements. Hence, there is a crucial need for data for advanced reactor systems that will support validation of analysis methods. To this end, this Research Topic includes eleven papers organized into topical seven categories relevant for advanced reactor design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Discovery of multi-functional polyimides through high-throughput screening using explainable machine learning

Polyimides have been widely used in modern industries because of their excellent mechanical and thermal properties, e.g., high-temperature fuel cells, displays, and aerospace composites. However, it usually takes decades of experimental efforts to develop a successful product. Aiming to expedite the discovery of high-performance polyimides, we utilize computational methods of machine learning (ML) and molecular dynamics (MD) simulations. Our study provides compelling evidence for the effectiveness of a data-driven approach in discovering novel polyimides. We first build a comprehensive library of more than 8 million hypothetical polyimides based on the polycondensation of existing dianhydride and diamine/diisocyanate molecules. Then we establish multiple ML models for the thermal and mechanical properties of polyimides based on their experimentally reported values, including glass transition temperature, Young’s modulus, and tensile yield strength. The obtained ML models demonstrate excellent predictive performance in identifying the key chemical substructures influencing the thermal and mechanical properties of polyimides. The use of explainable machine learning describes the effect of chemical substructures on individual properties, from which human experts can understand the cause of the ML model decision. Applying the well-trained ML models, we obtain property predictions of the 8 million hypothetical polyimides. Then, we screen the whole hypothetical dataset and identify three (3) best-performing novel polyimides that have better-combined properties than existing ones through Pareto frontier analysis. For an easy query of the discovered high-performing polyimides, we also create an online platform https://polyimide-explorer.herokuapp.com/ that embeds the developed ML model with interactive visualization. Furthermore, we validate the ML predictions through all-atom MD simulations and examine their synthesizability. The MD simulations are in good agreement with the ML predictions and the three novel polyimides are predicted to be easy to synthesize via Schuffenhauer’s synthetic accessibility score. Following the proposed ML guidance, we successfully synthesized a novel polyimide and the experimentally obtained high glass transition/thermal decomposition temperature demonstrated its excellent thermal stability. Here our study demonstrates an efficient way to expedite the discovery of novel polymers using ML prediction and MD validation. The high-throughput screening of a large computational dataset can serve as a general approach for new material discovery in other polymeric material exploration problems, such as organic photovoltaics, polymer membranes, and dielectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Removal of deuterium retained in boron powder by oxygen or high-temperature bakeout

Fuel retention in dust accumulated in fusion devices is a potential operational hazard. Boronization is one of the leading wall-conditioning candidates for future fusion devices. Fuel retention characteristics of boron dust must be studied to accurately understand the potential hazards of boron dust in fusion devices. We evaluated the retention of deuterium (D) in commercially available boron powder as a proxy for tritium retention in boron dust. Diffuse reflectance infrared Fourier transform spectroscopy revealed that boron powder between 300 and 500 K exposed to neutral hydrogen (H 2 ) gas retains H via B-H bonding. We utilized D 2 exposures of 17,400 L on the boron powder, which led to retention on the order of 0.5 g D per 100 kg B or 1.2 g D per m 2 B, as estimated from temperature programmed desorption measurements. We evaluated how powder bakeouts under ultra-high vacuum (UHV), or in an oxygen (O 2 ) or H 2 gas backfilled environment can remove the retained fuel. Bakeouts below 523 K under UHV exhibited poor D removal, promoting recapture of D 2 present as background gas in the chamber. Higher temperature bakeouts led to the removal of over 80% of the retained D within 3 days (623 K) or 1 h (723 K). Bakeouts at 423 K under an O 2 gas environment removed ∼150% more retained D from the boron powder, when compared to bakeouts conducted under UHV. These results suggest that efficient fuel removal from boron dust can be achieved by high-temperature bakeout (>623 K) or by bakeouts at lower temperature (423 K) under an O 2 environment.

Bakeout↗
DOE OSTI2023

Preliminary HEA Solid Phase Processing Development Report

The development of high temperature fuel cladding materials to withstand a variety of extreme environments have received much attention. Several potential materials systems that have been identified for the fuel systems and core structural materials application in advanced reactor systems are ferritic/martensitic steel (e.g., HT9), austenitic stainless steels (e.g., 316 LN), oxide-dispersion strengthened steels (e.g., 12 YWT), Ni-based alloys and ceramic-based composites depending on the type of the reactors. Though these material systems have promising properties conducive for radiation-resistant performance, they suffer beyond the design-limit from one or more damage processes such as void swelling, radiation embrittlement, phase instability, corrosion, and limited creep life.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Optimizing liquid free ionomer binders for high-temperature polymer electrolyte membrane fuel cells for heavy duty vehicles

This report documents tech transfer from Penn State to Ionomer Solutions LLC for high-temperature polymer electrolyte membrane fuel cells. High-temperature polymer electrolyte membrane (HT-PEM) fuel cells are enticing power plants for heavy-duty vehicle (HDV) transportation because their elevated temperature operation fosters greater heat rejection through larger temperature differentials. In 2021, over 6 million battery electric light duty vehicles (LDVs) were sold. Conversely, only 19,000 LDVs using fuel cell power trains were sold in 2021. Given the meteoric rise of battery-based powertrains for LDVs and its projected growth, stakeholders for fuel cell technology for transportation have shifted their focus towards HDVs rather than LDVs given fuel cells specific and volumetric energy density advantage over batteries when the vehicle is large, heavy, and/or needs to move large distances before refueling.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Dispersing Agents Impact Performance of Protonated Phosphonic Acid High-Temperature Polymer Electrolyte Membrane Fuel Cells

The microstructure of ionomers plays a significant role in the performance of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs). Here, we establish direct correlations between the properties of dispersing agents and the microstructure of a protonated phosphonic acid ionomer. Most importantly, the formation of the porous structure of a protonated phosphonic acid ionomer depends on the pK a of the liquid media. Namely, the acid–base interaction between the charged polymer and dispersing agents determines the porosity in the ionomer thin films. The HT-PEMFC performance increases with the level of porosity of the ionomer, as the pores enable fast reactant gas accessibility. Overall, this study concludes the importance of the pK a of ionomers’ dispersing media for the HT-PEMFC performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Prediction of Performance Variation Caused by Manufacturing Tolerances and Defects in Gas Diffusion Electrodes of Phosphoric Acid (PA)–Doped Polybenzimidazole (PBI)-Based High-Temperature Proton Exchange Membrane Fuel Cells

The automated process of coating catalyst layers on gas diffusion electrodes (GDEs) for high-temperature proton exchange membrane fuel cells results inherently into a number of defects. These defects consist of agglomerates in which the platinum sites cannot be accessed by phosphoric acid and which are the consequence of an inconsistent coating, uncoated regions, scratches, knots, blemishes, folds, or attached fine particles—all ranging from μm to mm size. These electrochemically inactive spots cause a reduction of the effective catalyst area per unit volume (cm2/cm3) and determine a drop in fuel cell performance. A computational fluid dynamics (CFD) model is presented that predicts performance variation caused by manufacturing tolerances and defects of the GDE and which enables the creation of a six-sigma product specification for Advent phosphoric acid (PA)-doped polybenzimidazole (PBI)-based membrane electrode assemblies (MEAs). The model was used to predict the total volume of defects that would cause a 10% drop in performance. It was found that a 10% performance drop at the nominal operating regime would be caused by uniformly distributed defects totaling 39% of the catalyst layer volume (~0.5 defects/μm2). The study provides an upper bound for the estimation of the impact of the defect location on performance drop. It was found that the impact on the local current density is higher when the defect is located closer to the interface with the membrane. The local current density decays less than 2% in the presence of an isolated defect, regardless of its location along the active area of the catalyst layer.

Gurau, Vladimir (ORCID:0000000327429061)↗
DOE OSTI2022

AGR-5/6/7 Final Release-to-Birth Ratio Data Analysis

AGR-5/6/7 is the last of a series of Advanced Gas Reactor (AGR) experiments conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) in support of development and qualification of tristructural isotropic (TRISO) low-enriched fuel for use in the high-temperature gas cooled reactor (HTGR). AGR configuration and irradiation conditions are based on prismatic HTGR technology that is distinguished primarily through the use of helium coolant, a low-power-density ceramic core capable of withstanding very high temperatures, and TRISO-coated particle fuel. The AGR tests provide valuable irradiation-performance data to support fuel process development, qualify fuel for normal operation and accident conditions, and support development and validation of fuel performance and fission-product (FP) transport models and codes. Each AGR test consists of multiple independently controlled and monitored capsules containing fuel compacts placed in a graphite cylinder shrouded by a steel shell. Release-to-birth ratios (R/B) for fission-gas isotopes released from each capsule are calculated from release rates, measured by germanium detectors in the Fission Product Monitoring System (FPMS) installed downstream from each capsule, and birth rates calculated using numerical models of FG generation. The R/Bs are a critical measure of the ability of the fuel kernel, the particle coating layers, and the compact matrix to retain fission-gas atoms, preventing their release into the sweep-gas flow, and the impact of initially defective particles and/or particle-coating failures that occur during irradiation. For fission-gas isotopes, particle failure is defined as failure of all coating layers, allowing gaseous fission atoms to escape from a particle. During the first five cycles (162B ? 165A), R/Bs were stable in the 10-8?10-6 range, and no in-pile particle failures were observed, based on the gross gamma counts. The maximum R/B value of around 2 ? 10-6 for Kr-85m resulted from the presence of as-fabricated exposed kernels (based on the high exposed kernel fraction), the dispersed uranium, and high fuel particle temperatures in Capsule 1. Comparison of capsule-measured R/Bs from these early cycles to predictions using the previously developed AGR R/B model demonstrated FG release from the AGR-5/6/7 TRISO fuel was comparable to that of previous experiments. In addition, the Kr-85m R/B per-exposed-kernel values are comparable to R/B values obtained in AGR-3/4 irradiation experiment and four irradiation experiments performed during 1980s: (1) HRB-17/18, (2) COMEDIE-BD1, (3) HFR B1, and (4) HRB-21. In contrast, all measured R/B values are lower than predictions by the commonly used Richards and German models, which are intentionally conservative. A large number of in-pile particle failures occurred in Capsule 1 by the end of Cycle 166A. During the final four cycles (166A ? 168A), apparent damage to the Capsule 1 gas line appeared to cause FG leakage from that capsule into the other four capsules, resulting in an increase in fission gas (FG) detected in the effluent for all capsules. Isolation of the Capsule 1 gas line during the last three cycles also prevented measurement of its FG release. Thus, R/Bs in all capsules after Cycle 166A are highly uncertain because of undefined amount of leakage from Capsule 1, especially for long-lived isotopes. A few hundred in-pile particle failures were estimated for Capsule 1 before the end of Cycle 166A, but the total number of failures is unknown due to the lack of FG release data in the later cycles. Based primarily on evidence from the gross gamma counts during Cycle 168A, approximately 15 particles failed in Capsule 3 and four particles failed in Capsule 2. In-pile failures in Capsule 3 were anticipated because this capsule was designed to operate beyond the HTGR normal operating temperature range. In contrast, no in-pile failures were identified in the top two capsules (4 and 5) based on the absence of the typical spikes in gross gamma counts and low failure estimates using the AGR model, developed in INL/EXT-14-32970, for R/B of the short-lived isotopes (Kr-89 and Xe-137) with minimal leakage from Capsule 1.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Irradiation Performance: High-Temperature Gas Reactor Fuels

The response of TRISO fuel under irradiation is complex and dictated by the integrated nature of all components which define the TRISO fuel architecture. Potential failure mechanisms have been well understood and iterative improvements to the TRISO fuel architecture have been made to ensure optimized performance for different reactor designs. Ultimately, modern TRISO fuel for HTGR applications has exceeded performance targets.

Gerczak, Tyler↗
DOE OSTI2023

The Deimos Experiment: Advanced Reactor Testbed

Advanced reactor initiatives are growing significantly through programs nationwide. This research area includes small modular reactors, microreactors, and space reactors. Many of the reactors being designed are untested concepts. They include unique moderators, varying fuel types, high temperatures, and compact configurations. The shift in fuel type, from highly enriched uranium (HEU) to high assay, low enriched uranium (HALEU), is particularly important as it has driven many of the other changes. For example, lower enrichment requires advanced moderators, which in turn require different reflectors to make the systems compact. The change in materials including the transition from HEU to HALEU affects the temperature feedback of the systems. Additionally, these advanced reactor concepts generally have a thermal neutron spectrum in contrast to earlier fast spectrum advanced reactor. With the extensive changes from previous reactor designs, validation experiments are needed. The National Criticality Experiments Research Center (NCERC) is uniquely equipped to perform such experiments. The Deimos experiment, designed for execution at NCERC, will serve as a testbed for advanced reactor concepts. It will use HALEU fuel in a graphite matrix, provide the ability to use advanced moderators, and allow measurements of temperature reactivity coefficients (TRCs).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗