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

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Accelerated radiation tolerance testing of Ti-based MAX phases

MAX phases have recently attracted significant attention for potential nuclear applications due to their novel properties such as unique hexagonal-compact nanolayered crystal structure, high-machinability due to lower hardness levels compared to conventional ceramics, and high-chemical inertness. In order for MAX phases to be used in nuclear reactors, two aspects deserve detailed investigations: (i) their phase stability at high-temperatures and (ii) microstructural defect formation and recovery induced by energetic particle irradiation. To date, degradation mechanisms of MAX phases at high-temperatures and following irradiation are largely unexplored fields of research. This work focuses on the evaluation of two Ti-based MAX phases – Ti 2 AlC and Ti 3 SiC 2 – within the context of extreme environments. To accomplish this, a one-of-a-kind comparison between neutron irradiations, performed over a decade of research at the High Flux Isotope Reactor (HFIR), and heavy-ion irradiations, carried out in situ in a Transmission Electron Microscope (TEM) at the MIAMI-2 facility, has been conducted. The results show Ti-based MAX phases are prone to accelerated decomposition under the conditions investigated. This questions the hypothesis that MAX phases exhibit high phase stability, especially when used in future nuclear energy systems where energetic particle irradiation is a dominating degradation mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A cellular selection identifies elongated flavodoxins that support electron transfer to sulfite reductase

Flavodoxins (Flds) mediate the flux of electrons between oxidoreductases in diverse metabolic pathways. To investigate whether Flds can support electron transfer to a sulfite reductase (SIR) that evolved to couple with a ferredoxin, we evaluated the ability of Flds to transfer electrons from a ferredoxin-NADP reductase (FNR) to a ferredoxin-dependent SIR using growth complementation of an Escherichia coli strain with a sulfur metabolism defect. We show that Flds from cyanobacteria complement this growth defect when coexpressed with an FNR and an SIR that evolved to couple with a plant ferredoxin. When we evaluated the effect of peptide insertion on Fld-mediated electron transfer, we observed a sensitivity to insertions within regions predicted to be proximal to the cofactor and partner binding sites, while a high insertion tolerance was detected within loops distal from the cofactor and within regions of helices and sheets that are proximal to those loops. Bioinformatic analysis showed that natural Fld sequence variability predicts a large fraction of the motifs that tolerate insertion of the octapeptide SGRPGSLS. In conclusion, these results represent the first evidence that Flds can support electron transfer to assimilatory SIRs, and they suggest that the pattern of insertion tolerance is influenced by interactions with oxidoreductase partners.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Synthesis and ion-irradiation tolerance of the Dy2TiO5 polymorphs

In developing improvements in nuclear fuels, work has been conducted in replacing boron with lanthanides to act as neutron absorbent materials. To further this development for the first time the three major polymorphs of Dy2TiO5 have been fabricated as bulk, single-phase materials in a systematic study. Crystal structure refinement has been carried out from powder x-ray diffraction data, with further structural detail attained via electron diffraction. A cubic phase, defect-pyrochlore, Fd-3m space group, was found with cell parameter a = 10.2996 (1) angstrom and oxygen x48f positional parameter = 0.331 (1). Dy2TiO5 was also fabricated as a bulk, single-phase compound with hexagonal symmetry, P6(3)/mmc space group, with cell parameters a = b = 3.6307(2), c = 11.8963(8) angstrom. The radiation response for each of the polymorphs has been investigated in-situ via 1 MeV Kr - ion-irradiation and transmission electron microscopy characterisation at the IVEM-TANDEM facility, Argonne National Laboratory. Critical temperatures, T-c, for maintaining crystallinity during irradiation were determined and showed Dy2TiO5 with either orthorhombic or cubic symmetry to perform the best, with the lowest T-c values of 711 and 761 K respectively when compared with the hexagonal form. These relatively low T-c values may be attributed to different characteristics for each phase; high anti-site defect formation energy for the orthorhombic symmetry, and the ability to accommodate disorder for the cubic symmetry.

Burnable poison↗
DOE OSTI2020

Ion beam irradiation of ABO4 compounds with the fergusonite, monazite, scheelite, and zircon structures

The effects of irradiation on CaWO4, SrWO4, BaWO4, YVO4, LaVO4, YNbO4, and LaNbO4 were investigated on thin crystals using 1.0 MeV Kr ions at 50-1000 K. All of the ABO4 compounds can be amorphized with calculated damage cross sections (σa = 1/Fc0) in the range of ~0.30-1.09 × 10-14 cm2 ion-1 at zero Kelvin. The analysis of fluence-temperature data returned critical temperatures for amorphization (Tc) of 311 ± 1, 358 ± 90, 325 ± 19, 415 ± 17, 541 ± 6, 636 ± 26, and 1012 ± 1 K, respectively, for the compounds listed above. Compared with previous in situ irradiation of ABO4 orthophosphate samples using 0.8 MeV Kr ions, the Tc values of LaVO4 and YVO4 are higher than those of LaPO4 and YPO4 by 82 K and 124 K, respectively. The Tc values of the three scheelite structures, CaWO4, SrWO4, and BaWO4, indicate that they are the most radiation tolerant compounds under these conditions. The A-B cation anti-site energies, EfAB, determined by DFT range from 2.48 to 10.58 eV and are highly correlated with the A-B cation ionic radius ratio, rA/rB, but are not correlated with Tc across the different structure types, suggesting that the formation and migration energies of Frenkel defects play a more important role in damage recovery in these compounds. We also discuss the role of cation and anion charge/iconicity as determined by DFT. ABO4 compounds with the zircon structure and B = P or V have a distinct advantage over those with B = Si as the damaged regions do not appear to be significantly affected by polymerization of (PO4) 3- or (VO4) 3- groups which might stabilize the amorphous fraction and ultimately lead to phase separation as observed in zircon (ZrSiO4).

amorphization↗
DOE OSTI2022

Quantitative analysis of Cu XANES spectra using linear combination fitting of binary mixtures simulated by FEFF9

We report x-ray absorption near edge structure (XANES) is a powerful tool to probe the fingerprint of local structures, and when coupled with X-ray microscopy, the small spot size enables one to probe very specific regions of interest in a device or material, e.g. interfaces/bulk, different grains, good/bad electrical areas. In this work, we investigate the use of linear combination fitting (LCF) of XANES spectra for the particular case of Cu doping in CdTe. We show that the experimental data seem to be accurately represented by standards of Cu 2 Te and its substoichiometric counterpart, Cu 1.43 Te. We use Cu in CdTe as a case study to evaluate the accuracy of linear combination fitting using simulated standards, given that experimental standards for certain phases (e.g. Cu 1.43 Te) or defect structures (e.g. vacancies) cannot be readily obtained. We discuss how spectral features of the FEFF9-simulated standards, fitting ranges, and noise levels all dictate the accuracy of this type of analysis. We show that the greater the spectral difference between the two standards, the better the LCF is able to differentiate between the two structures and to tolerate experimental noise. Finally, we estimate the error of the fitted weights for different spectral features and noise levels and propose a framework to study local structures semi-quantitatively by using binary mixtures of FEFF9-simulated standards.

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

Characterization of proton-induced damage in thick, p-channel skipper-CCDs

Here, in this work, we characterize the radiation-induced damage in two thick, p-channel skipper-CCDs irradiated unbiased and at room temperature with 217-MeV protons. We evaluate the overall performance of the sensors and demonstrate their single-electron/single-photon sensitivity after receiving a fluence on the order of 10 10 protons/cm 2 . Using the pocket-pumping technique, we quantify and characterize the proton-induced defects from displacement damage. We report an overall trap density of 0.134 traps/pixel for a displacement damage dose of 2.3 × 10 7 MeV/g. Three main proton-induced trap species were identified, V 2 , C i O i and V n O m , and their characteristic trap energies and cross sections were extracted. We found that while divacancies are the most common proton-induced defects, C i O i defects have a greater impact on charge integrity at typical operating temperatures because their emission-time constants are comparable or larger than typical readout times. To estimate ionization damage, we measure the characteristic output transistor curves. We found no threshold voltage shifts after irradiation. Our results highlight the potential of skipper-CCDs for applications requiring high-radiation tolerance and can be used to find the operating conditions in which effects of radiation-induced damage are mitigated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Chromium-doped uranium dioxide fuels: A review

UO 2 doped with parts per million CR 2 O 3 powder is considered a potential near term accident tolerant fuel candidate. Here, the results of decades of industry and academic research into Cr-doped UO 2 are analyzed and their shortcomings are critiqued. Focusing on the incorporation mechanisms of Cr into the fuel matrix, we explore a mechanistic understanding of the characteristic properties of Cr-doped UO 2 , notably, enhanced fission gas retention attributed to enlarged grain sizes following sintering, along with marginal improvements in the thermophysical properties. The findings of recent X-ray Adsorption Near Edge Spectroscopy studies were compared and put into conversation with historic data regarding the incorporation of Cr in UO 2 . On the basis of defect mechanisms, the case is made for the substitutional incorporation of Cr governing the lattice solubility but not the enhanced U diffusivity. Instead, Cr/CR 2 O 3 redox chemistry in a well-defined oxygen potential explains the differences in the U diffusivity and O/M ratio. The primary mechanism of doping enhanced grain growth is found to be liquid assisted sintering due to a CRO (1) eutectic phase at the grain boundaries. The role of inhomogeneities in Cr concentration in UO 2 at various length scales across the materials microstructure is highlighted and connected to promising experimental and modeling work to fill in the gaps in the current understanding of Cr-doped UO 2 . The review considers both the open scientific questions and engineering applications to illustrate the deep connections between the practice and theory in the design of accident tolerant nuclear fuels. In conclusion, the review ends with an outline of future works that combine meticulous irradiation studies and high resolution experiments with next generation modeling and simulations techniques empowered by machine learning advances to accelerate the fabrication and adoption of Cr-doped UO 2 light water reactors.

Cleveland, Mack Wesley [Massachusetts Inst. of Tec↗
DOE OSTI2026

Irradiation Driven Restructuring of Nanocrystalline ThO 2 and Th 1–x U x O 2 Thin Films

Irradiation induced structural changes of actinide oxide materials is a key consideration in their development and use as nuclear fuels. This study reported on the synthesis of ThO 2 and Th 1–x U x O 2 (x = 0.15, 0.50) thin films, fabricated using electrospray-assisted solution combustion synthesis, and their responses to ion irradiation. Krypton ion irradiations, up to a fluence of 1 × 10 16 ions/cm 2 , were carried out to simulate radiation damage induced by fission products in a reactor environment. Structural and chemical changes induced by irradiation were analyzed using high-resolution scanning transmission electron microscopy (STEM), energy-dispersive X-ray spectroscopy (EDS), and electron energy-loss spectroscopy (EELS). It was determined that the extent and nature of irradiation-induced damage are strongly correlated with the uranium content. ThO 2 films were most susceptible to radiation-induced damage, with significant cavity formation and delamination from the substrate at high fluence. Of the compositions studied, Th 0.85 U 0.15 O 2 films showed the highest stability, characterized by moderate grain growth and the absence of voids or severe defect structures. In contrast, Th 0.5 U 0.5 O 2 films accumulated extensive damage, including the formation of a nanocrystalline central region. EELS analysis indicated that oxygen displacement is the primary driver of structural degradation in Th 0.5 U 0.5 O 2 films. α-particle spectroscopy confirmed minimal actinide loss across all compositions, underscoring the mechanical robustness of the films. These findings provide insight into the irradiation-induced damage mechanisms in Th O2 and Th 1–x U x O 2 systems, supporting their development as potential materials for nuclear fuels and irradiation-tolerant thin film targets in nuclear physics measurements.

Th1−xUxO2↗
DOE OSTI2021

Modeling Disorder in Pyrochlores and Other Anion-Deficient Fluorite Structural Derivative Oxides

Their very flexible chemistry gives oxide materials a richness in functionality and wide technological application. A specific group of oxides that have a structure related to fluorite but with less oxygen, termed anion-deficient fluorite structural derivatives and with pyrochlores being the most notable example, has been shown to exhibit a diversity of useful properties. For example, the possibility to undergo a transition from an ordered to disordered state allows these oxides to have high radiation tolerance. Atomistic-scale calculations in the form of molecular dynamics (MD) and density functional theory (DFT) have been extensively used to understand what drives this order/disorder transition. Here we give a brief overview of how atomistic-scale calculations are utilized in modeling disorder in pyrochlores and other anion-deficient fluorite structural derivatives. We discuss the modeling process from simple point defects to completely disordered structures, the dynamics during the disordering process, and the use of mathematical models to generate ordered solid-solution configurations. We also attempt to identify the challenges in modeling short range order and discuss future directions to more comprehensive models of the disordered structures.

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

Properties and microstructure evolution of silicon nitride and zirconium nitride following Ni ion irradiation

We report that silicon nitride and zirconium nitride have been proposed as potential materials for multiple nuclear applications (inert matrix fuels, accident tolerant fuels, space nuclear power, fusion reactor design), yet knowledge on their behavior under irradiation remains limited. Ion irradiations were performed using 15 MeV Ni 5+ ions on Si 3 N 4 and ZrN samples, with midrange doses (around 3 µm) from 1 to 50 dpa and temperatures from 300 to 700°C. Volumetric lattice swelling was determined by grazing incidence X-ray diffraction, defect production and evolution were tracked using Transmission Electron Microscopy, and nanoindentation was performed to quantify the ceramics’ mechanical properties evolution. The results from these irradiation studies on nitride ceramics help fill the current gap present in the literature. Behavior consistent with past work on irradiated Si 3 N 4 was observed with respect to mechanical properties and defect formation up to 15 dpa and 500°C. Failure of the grain boundary sintering aid in Si 3 N 4 was observed above these conditions. Different behavior was observed in both nitrides at 50 dpa and 700°C, where lattice swelling increased past potential saturation values. Unreported cavity formation was witnessed in both materials under all irradiation conditions, with stable number density and slight size increase above 15 dpa. The mechanism for the cavity formation remains to be determined.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Novel materials irradiation and pre-characterization plans for high-power targetry applications

The multi-megawatt proton beams that will be employed at future accelerator complexes introduce many new challenges for next-generation targetry systems, primarily due to the increased levels of beam-induced radiation damage combined with thermal shock effects during a beam pulse. Novel material classes, such as high-entropy alloys and electro-spun nanofibers are currently being investigated as materials that will be more tolerant of these effects in high beam power applications. Low-energy ion irradiation will be used for pre-screening and down selecting candidate novel materials prior to prototypic high-energy irradiation studies. Specific nano and micro-scale characterization techniques will be used to evaluate the radiation damage and thermal shock resistance of the new materials. Irradiation induced lattice spacing alteration and defect concentrations, as well as mechanical and thermal properties of the novel materials will be measured and compared to those of conventional targetry materials. This poster will detail plans for initial low-energy ion irradiation tests, and the post-irradiation examination techniques that will be used to develop and screen these novel target materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Acclimation and Compensating Metabolite Responses to UV-B Radiation in Natural and Transgenic Populus spp. Defective in Lignin Biosynthesis

Plants have evolved to protect leaf mesophyll tissue from damage caused by UV-B radiation by producing an array of UV-absorbing secondary metabolites. Flavonoids (phenolic glycosides) and sinapate esters (hydroxycinnamates) have been implicated as UV-B protective compounds because of the accumulation in the leaf epidermis and the strong absorption in the wavelengths corresponding to UV. Environmental adaptations by plants also generate a suite of responses for protection against damage caused by UV-B radiation, with plants from high elevations or low latitudes generally displaying greater adaptation or tolerance to UV-B radiation. In an effort to explore the relationships between plant lignin levels and composition, the origin of growth elevation, and the hierarchical synthesis of UV-screening compounds, a collection of natural variants as well as transgenic Populus spp. were examined for sensitivity or acclimation to UV-B radiation under greenhouse and laboratory conditions. Noninvasive, ecophysiological measurements using epidermal transmittance and chlorophyll fluorescence as well as metabolite measurements using UPLC-MS generally revealed that the synthesis of anthocyanins, flavonoids, and lignin precursors are increased in Populus upon moderate to high UV-B treatment. However, poplar plants with genetic modifications that affect lignin biosynthesis, or natural variants with altered lignin levels and compositions, displayed complex changes in phenylpropanoid metabolites. A balance between elevated metabolic precursors to protective phenylpropanoids and increased biosynthesis of these anthocyanins, flavonoids, and lignin is proposed to play a role in the acclimation of Populus to UV-B radiation and may provide a useful tool in engineering plants as improved bioenergy feedstocks.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Radiation‐Resistant Aluminum Alloy for Space Missions in the Extreme Environment of the Solar System

Future human exploration of the solar system demands advanced materials capable of withstanding extreme environments, particularly exposure to solar energetic particle radiation. Current material selection criteria for space applications prioritize a high strength-to-weight ratio, high corrosion resistance and manufacturability, favoring age-hardenable Al-based alloys. However, conventional precipitation-hardened Al alloys suffer from irradiation-assisted dissolution of strengthening phases at doses as low as 0.2 displacements-per-atom (dpa), undermining their performance. Furthermore, these alloys develop radiation-induced defects, such as dislocation loops and voids, even at low doses. This study presents a novel ultrafine-grained (UFG) Al-based alloy, designed using the crossover alloying concept and strengthened by T-phase precipitates, featuring a chemically-complex structure with 162 atoms in its unit cell composed of Mg 32 (Zn,Al) 49 . It is showed that T-phase precipitates have exceptional radiation tolerance up to 24 dpa. Owing to the nanoscale UFG structure, dislocation loops are suppressed, and voids are only observed beyond 75 dpa. Microtensile tests up to 20 dpa confirm the preservation of mechanical performance under irradiation. The results underline the potential of this alloy as a radiation-resistant, lightweight material for future space applications. Three key strategies enable this performance: (i) stabilization of a UFG microstructure, (ii) T-phase precipitation featuring a highly negative Gibbs free energy and chemically-complex giant unit cell, and (iii) precise process control to prevent grain growth during heat treatment and irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High radiation tolerance of an ultrastrong nanostructured NiCoCr alloy with stable dispersed nanooxides and fine grain structure

The present paper reports the irradiation behavior of nanostructured NiCoCr medium entropy alloy enhanced by Y-Hf-O nanooxides and fine grains produced by powder metallurgy. Ion beam irradiation to a peak dose of 130 dpa at 580°C produced neither detectable void swelling nor irradiation-induced hardening, in contrast to significant void swelling and property degradation of single phase NiCoCr concentrated solid-solution alloy under the similar irradiation condition. The dispersed nanooxides and high density of grain boundaries act as defect sinks that effectively annihilate irradiation-induced interstitials and vacancies. Furthermore, high-density nanooxides maintain their crystalline structures and stabilize the grain boundaries during irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Editors’ Choice—Review—Designing Defects and Diffusion through Substitutions in Metal Halide Solid Electrolytes

Ternary metal halides A 3 MX 6 , ( A = Li + , Na + ; M = trivalent metal; X = halide) are a promising family of solid electrolytes for potential applications in all-solid-state batteries. Recent research efforts have demonstrated that chemical substitution at all three sites is an effective strategy to controlling battery-relevant material properties. The A 3 MX 6 family exhibits a wide breadth of structure and anion sublattice types, making it worthwhile to comprehend how chemical substitutions manifest desirable functional properties including ion transport, electrochemical stability, and environmental tolerance. Yet, a cohesive understanding of the materials design principles for these substitutions have not yet been developed. Here, we bring together prior literature focused on chemical substitutions in the A 3 MX 6 ternary metal halide solid electrolytes. Using materials chemistry perspectives and principles, we aim to provide insights into the relationships between crystal structure, choice of substituting ions and the extent of substitutions, ionic conductivity, and electrochemical stability. We further present targeted approaches to future substitution studies to enable transformative advances in A 3 MX 6 solid electrolytes and all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

PdAu/YSZ composite hydrogen separation membranes with enhanced stability in the presence of CO

The effects of gold composition on the tolerance of palladium-based composite membranes to CO exposure was studied under the presence of high CO concentrations. Membranes with PdAu compositions ranging up to 41% by mass were exposed to binary 50/50 H 2 /CO gas atmospheres and both hydrogen flux and purity were monitored over time. It was observed that the highest gold composition (41%) suffered no degradation in membrane performance in terms of permeate hydrogen purity and hydrogen permeation flux during the 48 h exposure. Furthermore, for lower gold compositions, X-ray diffraction patterns suggested that carbon entered the film and could be removed by exposure to a non-CO containing gas mixture over time. However, removal of the carbon adversely affected purity; interestingly, some of the purity decline could be reversed upon re-exposure to the CO gas mixture. It is hypothesized that carbon loading in the palladium films causes lattice expansion and may even fill pore defects, thus lowering leaks through the Pd films. Furthermore, this study suggests that a membrane exposed to a CO mixture should not be cycled between CO and non-CO environments, but rather run continuously for best performance. Additionally, the choice of Pd-alloy and metal composition should be considered in regard to its carbon solubility to best predict lifetime performance.

08 HYDROGEN↗
DOE OSTI2020

Hydrothermal Corrosion of First-Generation Dual-Purpose Coatings on Silicon Carbide for Accident-Tolerant Fuel Cladding

In this study, four different commercial coatings, TiN, Cr, CrN, and Cr/CrN (multilayer) were deposited by physical vapor deposition (PVD) on high resistivity chemical vapor deposited (CVD) SiC for the dual purpose of corrosion mitigation and fission gas hermeticity. The coatings were exposed for up to 2600 hours in flowing high temperature (288-350°C), high purity, liquid water with dissolved hydrogen (0.15-3ppm) or dissolved oxygen (1-2ppm). The Cr/CrN coatings did not adhere well and spalled quickly during exposure. In oxygenated conditions, none of the coatings were protective . CrN coatings spalled preferentially at defect sites, but reacted slowly enough in the absence of defects to potentially be chemically protective. TiN coatings fully oxidized within a few hundred hours and spalled. In hydrogen, all the coatings were chemically stable. Coating failures were identified and attributed to localized spallation, potentially related to coating defects. Coating improvements are recommended to reduce spallation and improve coating protection for future generations of dual-purpose coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solid-phase hetero epitaxial growth of α-phase formamidinium perovskite

Conventional epitaxy of semiconductor films requires a compatible single crystalline substrate and precisely controlled growth conditions, which limit the price competitiveness and versatility of the process. We demonstrate substrate-tolerant nano-heteroepitaxy (NHE) of high-quality formamidinium-lead-tri-iodide (FAPbI 3 ) perovskite films. The layered perovskite templates the solid-state phase conversion of FAPbI 3 from its hexagonal non-perovskite phase to the cubic perovskite polymorph, where the growth kinetics are controlled by a synergistic effect between strain and entropy. The slow heteroepitaxial crystal growth enlarged the perovskite crystals by 10-fold with a reduced defect density and strong preferred orientation. This NHE is readily applicable to various substrates used for devices. The proof-of-concept solar cell and light-emitting diode devices based on the NHE-FAPbI 3 showed efficiencies and stabilities superior to those of devices fabricated without NHE.

36 MATERIALS SCIENCE↗