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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Influence of Compositional Complexity on Amorphization Resistance of Swift Heavy Ion Irradiated Titanate Pyrochlores

Compositionally complex oxides have garnered attention recently for their potential technological applications in harsh environments such as thermal barrier coatings and nuclear waste forms. Therefore, their response to extreme conditions, including high temperature and intense irradiation fields, must be thoroughly investigated. Here, the structural evolution of two pyrochlore oxides with comparable cation size ratio, r A /r B , (Yb 0.2 Er 0.2 Dy 0.2 Tb 0.2 Gd 0.2 ) 2 Ti 2 O 7 and Ho 2 Ti 2 O 7 , was evaluated after irradiation with 946 MeV Au ions up to a fluence of 8 × 10 12 ions/cm2 using synchrotron X-ray diffraction, transmission electron microscopy, and Raman spectroscopy. The overall radiation response is comparable for both titanate oxides and is dominated by a loss of crystallinity. When compared to a series of conventional titanate pyrochlore compositions, the amorphous track diameter of (Yb 0.2 Er 0.2 Dy 0.2 Tb 0.2 Gd 0.2 ) 2 Ti 2 O 7 is slightly larger than that of Ho2Ti2O7 and more in line with the diameter of the endmember with the maximum A-site cation size (Gd 2 Ti 2 O 7 ). Density functional theory calculations suggest that this behavior may be linked to local lattice distortions and the associated energetics of cation antisite formation. TEM and Raman analyses show that a disordered, crystalline shell surrounds the amorphous ion tracks in (Yb 0.2 Er 0.2 Dy 0.2 Tb 0.2 Gd 0.2 ) 2 Ti 2 O 7 , and the corresponding short-range structure resembles a weberite-type atomic arrangement.

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

Temperature-Dependent Fracture Resistance of Silicon Nanopillars during Electrochemical Lithiation

During the lithation of silicon anodes, the solid-state diffusion of lithium into Li x Si follows the Arrhenius law, the resulting morphology and fracture behavior are determined by the silicon anode operation temperature. Here, we reveal the temperature dependence of the lithiation mechanics of crystalline silicon nanopillars (SiNPs) via microscopic observations of the anisotropic growth and fracture behavior. In this work, we fabricated 1D SiNP structures with various orientations ($\langle100\rangle, \langle110\rangle$, and $\langle111\rangle$) as working electrodes and operated them at temperatures ranging from –20 to 40 °C. The lithiation of crystalline silicon at low temperatures exhibited preferential volume expansion along $\langle110\rangle$ and decreased fracture resistance. Furthermore, low temperatures caused the catastrophic fracture of amorphous silicon after the second lithiation. Our findings demonstrate the importance of silicon anode temperature control to prevent mechanical fracture during the cycle of lithium-ion batteries in harsh environments (e.g., electric vehicles in winter).

25 ENERGY STORAGE↗
DOE OSTI2023

Extensively Microtwinned Diamond with Nanolaminates of Lonsdaleite Formed by Flash Laser Heating of Glassy Carbon

Diamond’s unique properties on the nanoscale make it one of the most important materials for use in biosensors and quantum computing and for components that can withstand the harsh environments of space. We synthesize oriented, faceted diamond particles by flash laser heating of glassy carbon at 16 GPa and 2300 K. Detailed transmission electron microscopy shows them to consist of a mosaic of diamond nanocrystals frequently joined at twin boundaries forming microtwins. Striking 3-fold translational periodicity was observed in both imaging and diffraction. This periodicity was shown to originate from nanodimensional wedge-shaped overlapping regions of twinned diamond and not from a possible 9R polytype, which has also been reported in other group IVa elements and water ice. Extended bilayers of hexagonal layer stacking were observed, forming lonsdaleite nanolaminates. In conclusion, the particles exhibited optical fluorescence with a rapid quench time (<1 ns) attributed to their unique twinned microstructure.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

A Polycrystalline Pd Surface Studied by Two-Dimensional Surface Optical Reflectance during CO Oxidation: Bridging the Materials Gap

Industrial catalysts are complex materials systems operating in harsh environments. The active parts of the catalysts are nanoparticles that expose different facets with different surface orientations at which the catalytic reactions occur. However, these facets are close to impossible to study in detail under industrially relevant operating conditions. Instead, simpler model systems, such as single crystals with a well-defined surface orientation, have been successfully used to study gas–surface interactions such as adsorption and desorption, surface oxidation, and oxidation/reduction reactions. To more closely mimic the many facets exhibited by nanoparticles and thereby close the so-called materials gap, there has also been a recent move toward using polycrystalline surfaces and curved crystals. However, these studies are limited either by the pressure or spatial resolution at realistic pressures or by the number of surfaces studied simultaneously. In this work, we demonstrate the use of reflectance microscopy to study a vast number of catalytically active surfaces simultaneously under realistic and identical reaction conditions. As a proof of concept, we have conducted an operando experiment to study CO oxidation over a Pd polycrystal, where the polycrystalline surface acts as a collection of many single-crystal surfaces. Finally, we visualized the resulting data by plotting the reflectivity as a function of surface orientation. We think the techniques and visualization methods introduced in this work will be key toward bridging the materials gap in catalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Efficient and Robust p-Type Transistor Based on Ultrawide-Bandgap Semiconductor

The p-type transistor is an indispensable component of semiconductor technology, enabling a complementary operation with n-channel transistors for computation, storage, and communication. Achieving both high robustness and high efficiency is highly desirable but challenging for p-type transistors due to the limited semiconductors with reliable hole transport and their high activation energies. Here, in this study, we achieved a robust yet efficient p-type transistor by heterogeneously integrating an ultrawide-bandgap semiconductor and a high-κ dielectric layer through van der Waals integration. The p-type transistor employs a two-dimensional hole channel on hydrogenated diamond (bandgap 5.6 eV) combined with a high-κ (30.5) SrTiO 3 perovskite membrane. At room temperature, the transistor exhibits stable operation with a high on-current (∼200 mA/mm), low subthreshold swing (70 mV/dec), high hole mobility (566 cm 2 /(V·s) to 572 cm 2 /(V·s)), and high on–off ratio (∼10 9 ). Furthermore, tuning the annealing temperature allows operation in either enhancement or depletion mode. The robust p-type transistor with high efficiency holds great potential for future power electronics, ultraviolet (UV) optoelectronics, and harsh-environment electronic applications.

high-κ membrane↗
DOE OSTI2022

Plant microbiomes harbor potential to promote nutrient turnover in impoverished substrates of a Brazilian biodiversity hotspot

The substrates of the Brazilian campos rupestres, a grassland ecosystem, have extremely low concentrations of phosphorus and nitrogen, imposing restrictions to plant growth. Despite that, this ecosystem harbors almost 15% of the Brazilian plant diversity, raising the question of how plants acquire nutrients in such a harsh environment. Here, we set out to uncover the taxonomic profile, the compositional and functional differences and similarities, and the nutrient turnover potential of microbial communities associated with two plant species of the campos rupestres-dominant family Velloziaceae that grow over distinct substrates (soil and rock). Using amplicon sequencing data, we show that, despite the pronounced composition differentiation, the plant-associated soil and rock communities share a core of highly efficient colonizers that tend to be highly abundant and is enriched in 21 bacterial families. Functional investigation of metagenomes and 522 metagenome-assembled genomes revealed that the microorganisms found associated to plant roots are enriched in genes involved in organic compound intake, and phosphorus and nitrogen turnover. We show that potential for phosphorus transport, mineralization, and solubilization are mostly found within bacterial families of the shared microbiome, such as Xanthobacteraceae and Bryobacteraceae. We also detected the full repertoire of nitrogen cycle-related genes and discovered a lineage of Isosphaeraceae that acquired nitrogen-fixing potential via horizontal gene transfer and might be also involved in nitrification via a metabolic handoff association with Binataceae. We highlight that plant-associated microbial populations in the campos rupestres harbor a genetic repertoire with potential to increase nutrient availability and that the microbiomes of biodiversity hotspots can reveal novel mechanisms of nutrient turnover.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Virtual sensing-enabled digital twin framework for real-time monitoring of nuclear systems leveraging deep neural operators

Abstract Real-time monitoring is a foundation of nuclear digital twin technology, crucial for detecting material degradation and maintaining nuclear system integrity. Traditional physical sensor systems face limitations, particularly in measuring critical parameters in hard-to-reach or harsh environments, often resulting in incomplete data coverage. Machine learning-driven virtual sensors offer a transformative solution by complementing physical sensors in monitoring critical degradation indicators. This paper introduces the use of Deep Operator Networks (DeepONet) to predict key thermal-hydraulic parameters in the hot leg of pressurized water reactor. DeepONet acts as a virtual sensor, mapping operational inputs to spatially distributed system behaviors without requiring frequent retraining. Our results show that DeepONet achieves low mean squared and Relative L2 error, making predictions 1400 times faster than traditional CFD simulations . These characteristics enable DeepONet to function as a real-time virtual sensor, synchronizing with the physical system to track degradation conditions and provide insights within the digital twin framework for nuclear systems.

Hossain, Raisa↗
DOE OSTI2022

Templated encapsulation of platinum-based catalysts promotes high-temperature stability to 1,100 °C

Stable catalysts are essential to address energy and environmental challenges, especially for applications in harsh environments (for example, high temperature, oxidizing atmosphere and steam). In such conditions, supported metal catalysts deactivate due to sintering-a process where initially small nanoparticles grow into larger ones with reduced active surface area-but strategies to stabilize them can lead to decreased performance. In this work, we report stable catalysts prepared through the encapsulation of platinum nanoparticles inside an alumina framework, which was formed by depositing an alumina precursor within a separately prepared porous organic framework impregnated with platinum nanoparticles. These catalysts do not sinter at 800 °C in the presence of oxygen and steam, conditions in which conventional catalysts sinter to a large extent, while showing similar reaction rates. Extending this approach to Pd-Pt bimetallic catalysts led to the small particle size being maintained at temperatures as high as 1,100 °C in air and 10% steam. This strategy can be broadly applied to other metal and metal oxides for applications where sintering is a major cause of material deactivation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting structural material degradation in advanced nuclear reactors with ion irradiation

Swelling associated with the formation and growth of cavities is among the most damaging of radiation-induced degradation modes for structural materials in advanced nuclear reactor concepts. Ion irradiation has emerged as the only practical option to rapidly assess swelling in candidate materials. For decades, researchers have tried to simulate the harsh environment in a nuclear reactor in the laboratory at an accelerated rate. Here we present the first case in which swelling in a candidate alloy irradiated ~ 2 years in a nuclear reactor was replicated using dual ion irradiation in ~ 1 day with precise control over damage rate, helium injection rate, and temperature and utilize physical models to predict the effects of radiation in reactors. The capability to predict and replicate the complex processes surrounding cavity nucleation and growth across many decades of radiation dose rate highlights the potential of accelerated radiation damage experiments. More importantly, it demonstrates the capability to predict the swelling evolution and the possibility to predict other features of the irradiated microstructure evolution that control material property degradation required to accelerate the development of new, radiation-tolerant materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Predictive machine learning approaches for the microstructural behavior of multiphase zirconium alloys

Abstract Zirconium alloys are widely used in harsh environments characterized by high temperatures, corrosivity, and radiation exposure. These alloys, which have a hexagonal closed packed (h.c.p.) structure thermo-mechanically degrade, when exposed to severe operating environments due to hydride formation. These hydrides have a different crystalline structure, than the matrix, which results in a multiphase alloy. To accurately model these materials at the relevant physical scale, it is necessary to fully characterize them based on a microstructural fingerprint, which is defined here as a combination of features that include hydride geometry, parent and hydride texture and crystalline structure of these multiphase alloys. Hence, this investigation will develop a reduced order modeling approach, where this microstructural fingerprint is used to predict critical fracture stress levels that are physically consistent with microstructural deformation and fracture modes. Machine Learning (ML) methodologies based on Gaussian Process Regression, random forests, and multilayer perceptrons (MLP) were used to predict material fracture critical stress states. MLPs, or neural networks, had the highest accuracy on held-out test sets across three predetermined strain levels of interest. Hydride orientation, grain orientation or texture, and hydride volume fraction had the greatest effect on critical fracture stress levels and had partial dependencies that were highly significant, and in comparison hydride length and hydride spacing have less effects on fracture stresses. Furthermore, these models were also used accurately predicted material response to nominal applied strains as a function of the microstructural fingerprint.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anomalous softening of 3D printed elastomeric foam irradiated under compressive strain

Elastomeric foam is an essential component in many industrial and technological settings, primarily as thermal insulators and as positional/mechanical support cushions. In particular, silicone foam is utilized in harsh environments due to exceptional thermal and chemical stability. Under service conditions within certain applications such material gets exposed to a high dosage of gamma radiation, which can permanently alter the material’s structural and mechanical response properties. Most studies on gamma-exposure under inert or oxidative atmosphere indicate hardening of silicone foam, which is attributed to radiation-induced enhancement in chemical cross-linking. Here we report two contrasting effects depending on whether (non-oxidative) radiation exposure is carried out with the foam under zero or finite compressive strain. While in the former case we observe radiation-hardening consistent with previous studies, in the latter case (50% porous foam under 30% uniaxial compression) we see a monotonic decrease in Young’s modulus with increasing dosage, although solvent swelling experiments on the constituent rubber indicate a net increase in cross-link density independent of the state of strain. We quantitatively model all dose-dependent data using the Ogden Hyperfoam strain-energy function within the framework of Tobolsky two-network scheme and attribute the above anomaly to a combined effect of radiation-induced thickness change (compression set) and inherent nonlinearity in the foam’s stress-strain response.

Coarse-grained models↗
DOE OSTI2024

Advanced thermal/environmental barrier coatings of high-entropy rare earth disilicates tuned by strong anharmonicity of Eu 2 Si 2 O 7

Advancing thermal/environmental barrier coating (TEBC) materials with integrated thermal-mechanical functions is paramount for safeguarding SiC-based ceramic matrix composites (CMCs) in high-efficiency gas turbines. Herein, we employ a synergistic approach, combining density functional theory (DFT) methods and combinatorial chemistry techniques, to design high-performance and low-cost RE 2 Si 2 O 7 (RE = rare earth elements) TEBC materials tailored for enhanced compatibility with SiC-based CMCs. Expanding on phase stability of alloying pure RE 2 Si 2 O 7 , the investigation extends to the mechanical and thermal properties of solid solution systems, including Er 1/2 Y 3/4 Yb 3/4 Si 2 O 7 , Gd 1/4 Er 1/4 Y 3/4 Yb 3/4 Si 2 O 7 , and Eu 1/4 Er 1/4 Y 3/4 Yb 3/4 Si 2 O 7 . The solid solution systems exhibit a major reduction in lattice thermal conductivity relative to their pure counterparts, achieving ultralow values of 0.25 to 0.39 W m −1 K −1 at 1500 K. Furthermore, the coefficients of thermal expansion (CTE) of these solid solutions are precisely tuned within the desired range for SiC (4.4 to 5.5 × 10 −6 K −1 ), while maintaining good mechanical properties. Here, in particular, the addition of Eu 2 Si 2 O 7 demonstrates to be an important variable to the tuning of CTE and lattice thermal conductivity by leveraging its strong anharmonicity, presenting a pioneering avenue for fine-tuning material properties. In summary, this research not only identifies promising TEBC materials with superior thermal properties, but also introduces a valuable computational material design methodology for the rapid discovery of complex materials for harsh environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal and radiation response of 4H–SiC Schottky diodes with direct-write electrical contacts

In this work, a high-sensitivity 4H–SiC temperature sensor and an alpha detector have been fabricated using additively printed metal contacts. The surface morphology and electrical conductivity of the printed electrodes were established prior to Schottky diode development. 4H–SiC Schottky diodes with direct-write printed silver contacts on the 5 μ m-thick epilayer on 4H–SiC were characterized electrically in terms of the forward and reverse current–voltage and high-frequency capacitance–voltage characteristics. Furthermore, the turn-on voltage of the Schottky diodes, as established from the forward current–voltage characteristics measured up to a temperature of 400 °C, showed a linear temperature dependence. Schottky diodes with direct-write printed Ag electrodes were able to measure alpha particles emitted from Americium-241. The high temperature and radiation response of the Schottky diodes show their suitability for multi-modal sensor fusion on the 4H–SiC platform for harsh environment applications.

42 ENGINEERING↗
DOE OSTI2021

High-resolution planar electron beam induced current in bulk diodes using high-energy electrons

Understanding the impact of high-energy electron radiation on device characteristics remains critical for the expanding use of semiconductor electronics in space-borne applications and other radiation harsh environments. Here in this paper, we report on in situ measurements of high-energy electron radiation effects on the hole diffusion length in low threading dislocation density homoepitaxial bulk n-GaN Schottky diodes using electron beam induced current (EBIC) in high-voltage scanning electron microscopy mode. Despite the large interaction volume in this system, quantitative EBIC imaging is possible due to the sustained collimation of the incident electron beam. This approach enables direct measurement of electron radiation effects without having to thin the specimen. Using a combination of experimental EBIC measurements and Monte Carlo simulations of electron trajectories, we determine a hole diffusion length of 264 ± 11 nm for n-GaN. Irradiation with 200 kV electron beam with an accumulated dose of 24 × 10 16 electrons cm -2 led to an approximate 35% decrease in the minority carrier diffusion length.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Initial evaluation of a multimodal diamond sensor for simultaneous temperature and radiation measurements

Several experimental disciplines require simultaneous neutron flux and temperature monitoring. This paper provides the groundwork on a diamond sensor concept that could be used in harsh environments where the limits of current technologies are exceeded. Here, we present initial results on the functionality of a multimodal diamond sensor, which can simultaneously sense the presence of alpha particles at a few counts per second at temperatures up to 494 K. Such a sensor may also have applications where both charged particles or neutron detection and temperature measurement are simultaneously desired.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Effects of fast and thermal neutron irradiation on Ga-polar and N-polar GaN diodes

Studies of the radiation tolerance and electrical behavior of gallium nitride (GaN) based devices are important for the next generation of high-power and high-voltage electronics that may be subjected to harsh environments such as nuclear reactor and fusion facilities, particle accelerators, and post-denotation environments. Here, in this work, we study the behavior of Ga-polar and N-polar GaN Schottky diodes before and after exposure to fast and thermal + fast neutrons. Temperature-dependent current–voltage (I–V) and circular transmission line method (CTLM) measurements were used to study the electrical characteristics. A strong reduction in reverse leakage current and an increase in differential resistance in forward bias were observed after neutron irradiation. Thermionic emission (TE), Frenkel–Poole (FP) emission, and Fowler–Nordheim (FN) tunneling models were used to explain the forward and reverse I–V characteristics pre- and post-irradiation. The study confirms that Ga-polar and N-polar GaN Schottky diodes exhibit different electrical responses to fast and thermal neutron irradiations. The reverse bias characteristics of N-polar diodes are less affected after the fast neutron irradiation compared to Ga-polar diodes, while in the forward bias region, the electrical behavior after fast and thermal neutron irradiations is similar in Ga-polar and N-polar diodes. The results indicate that the role of orientation should be considered in the design of GaN-based radiation-tolerant electronics.

42 ENGINEERING↗
DOE OSTI2024

Ultrawide bandgap semiconductor heterojunction p–n diodes with distributed polarization-doped p-type AlGaN layers on bulk AlN substrates

Ultrawide bandgap heterojunction p–n diodes with polarization-induced AlGaN p-type layers are demonstrated using plasma-assisted molecular beam epitaxy on bulk AlN substrates. Current–voltage characteristics show a turn-on voltage of Vbi≈5.5 V, a minimum room temperature ideality factor of η≈1.63, and more than 12 orders of current modulation at room temperature. A stable current operation of the ultrawide bandgap semiconductor diode is measured up to a temperature of 300 °C. The one-sided n+–p heterojunction diode design enables a direct measurement of the spatial distribution of polarization-induced mobile hole density in the graded AlGaN layer from the capacitance–voltage profile. The measured average mobile hole density is p∼5.7×1017 cm−3, in close agreement with what is theoretically expected from distributed polarization doping. Light emission peaked at 260 nm (4.78 eV) observed in electroluminescence corresponds to interband radiative recombination in the n+ AlGaN layer. A much weaker deep-level emission band observed at 3.4 eV is attributed to cation-vacancy and silicon complexes in the heavily Si-doped AlGaN layer. These results demonstrate that distributed polarization doping enables ultrawide bandgap semiconductor heterojunction p–n diodes that have wide applications ranging from power electronics to deep-ultraviolet photonics. These devices can operate at high temperatures and in harsh environments.

Physics↗
DOE OSTI2024

Single-event burnout in homojunction GaN vertical PiN diodes with hybrid edge termination design

GaN devices play a major role in modern electronics, providing high-power handling, efficient high-frequency operation, and resilience in harsh environments. However, electric field crowding at the edge of the anode often limits its full potential, leading to single-event effects (SEEs) at lower bias voltages under heavy ion radiation. Here, in this work, we report on the performance of homojunction GaN vertical PiN diodes with a hybrid edge termination design under heavy ion irradiation, specifically, oxygen ions, chlorine ions, Cf-252 fission fragments, and alpha particles from an Am-241 source. The unique hybrid edge termination (HET) design provides better electric field management, preventing breakdown from occurring at the edge of the anode at lower voltages. The results of this study reveal that these devices exhibit excellent tolerance to 12-MeV oxygen and 16-MeV chlorine ions, owing to their low linear energy transfer (LET) and range in GaN. However, single-event burnout (SEB) is observed during the Cf-252 exposure at about 50% of the diodes' electrical breakdown voltage due to the presence of higher LET and longer-range ions. Optical and scanning electron microscopy (SEM) reveal that the damage that caused by SEB lies close to the center of these devices rather than the anode edge. Devices with junction termination extension (JTE) instead of HET edge termination also show similar SEB when irradiated with Cf-252 fission fragments. Physical damage due to SEB occurs at the edge of the anode for these devices. These comparative results show the benefits of HET for enhancing the resistance of GaN-based PiN diodes to heavy ion irradiation.

42 ENGINEERING↗