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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Velocity-space signatures of shock-drift acceleration at quasi-perpendicular collisionless shocks

The shock-drift acceleration of ions at quasi-perpendicular shocks is a well-known kinetic mechanism for the acceleration of a small fraction of incoming ions to high energy. Here, we use a suite of sixteen hybrid simulations of quasi-perpendicular collisionless shocks over the range of Alfvén Mach number 4.3 ≤ M A ≤ 15.8 (corresponding to a range of fast magnetosonic Mach numbers 2.6 ≤ M f ≤ 9.4) and shock-normal angle 45°≤ θ Bn ≤ 90° to identify the velocity-space signature of shock-drift acceleration using the field-particle correlation technique. We show that the features of the ion velocity distribution in the shock foot and ramp regions can be clearly interpreted by analysis of the single-particle trajectory of a reflected ion through the full 3D-3V phase space. The characteristic features of the velocity-space signature of shock-drift acceleration remain qualitatively robust over the full parameter range of our simulations, providing a potential means for its identification using single-point spacecraft measurements. At higher Alfvén Mach numbers M A ≳8 (M f ≳5), kinetic instabilities generate fluctuations of the electromagnetic fields within the shock transition region, leading to fluctuations in and smearing out of the resulting velocity-space signatures, but the signature remains generally robust and identifiable. The results on the shock-drift acceleration of ions presented here represent a novel means to determine more completely the partitioning of upstream bulk flow kinetic energy into plasma heating, particle acceleration, and electromagnetic fields in collisionless shocks.

Howes, Gregory G. [Univ. of Iowa, Iowa City, IA (U↗
DOE OSTI2026

Titanium alloy response sensitivity to variations in spectral reconstructions of National Ignition Facility xenon line-emission x-ray sources

Thermomechanical shock experiments on the National Ignition Facility (NIF) aim to study high strain rate dynamic material response. In such experiments, the NIF laser is used to generate high fluence x-ray emission sources, which irradiate material samples of interest. Under sufficiently high x-ray energy deposition, thermomechanical impulses are generated in the materials. While it is known that the characteristics of x-ray generated impulses vary as a function of incident x-ray spectra, it remains unclear how spectral assumptions and uncertainties in NIF spectral reconstructions affect our interpretation of impulsive loading. Here, in this paper, we simulate the response of a standard titanium alloy baseline sample to synthetic analytically derived and measured NIF xenon line-emission x-ray sources with a radiation hydrodynamics code. We vary the source spectral characteristics based on different source reconstruction techniques to understand the resulting variation in baseline sample response and compare the simulated response with experimental results. We find that the response is highly sensitive to assumptions made about the spectral contents and that knowledge of spectral uncertainties bounds our understanding of the resulting material response. The results of this effort help to extend our ability to use baseline material samples to extract quantitative properties from x-ray experiments on the NIF.

Alloys↗
DOE OSTI2025

Development of an atomic layer deposition system for deposition of alumina as a hydrogen permeation barrier

Tritium permeation into and through materials poses a critical challenge for the development of nuclear fusion reactors. Minimizing tritium permeation is essential for the safe and efficient use of available fuel supplies. In this work, we present the design, construction, and validation of custom atomic layer deposition (ALD) and deuterium permeation measurement systems aimed at developing thin-film hydrogen permeation barriers. Using the ALD system, we deposited conformal $\mathrm{Al}_{2}\mathrm{O}_{3}$ films on copper foil substrates and characterized their growth behavior, morphology, and composition. ALD growth rates of ∼1.1 Å/cycle were achieved for temperatures between 100 ∘ C and 210 ∘ C. Permeation measurements on bare and alumina coated copper foils revealed a significant reduction in deuterium flux with the addition of a ∼10 nm $\mathrm{Al}_{2}\mathrm{O}_{3}$ layer. While bare copper followed diffusion-limited transport consistent with Sievert’s law, the alumina-coated samples exhibited surface-limited, pore-mediated transport with linear pressure dependence. Arrhenius analysis showed distinct differences in activation energy for the two transport regimes, and permeation reduction factors exceeding an order of magnitude were observed. These results demonstrate the potential of ALD-grown $\mathrm{Al}_{2}\mathrm{O}_{3}$ films as effective hydrogen isotope barriers and provide a foundation for future studies on film optimization and integration into fusion-relevant components.

atomic layer deposition↗
DOE OSTI2026

Defect in diamond with millisecond-scale spin relaxation time at room temperature

Spin defects in diamond are promising platforms for quantum sensing. The longest electron spin relaxation times (T1) at room temperature for solid-state defects are observed in nitrogen vacancy centers in diamond, which can reach 6.67 ms [1], and substitutional nitrogen (“P1 centers”) in diamond, which exhibit a T1 of 2 ms [2]. No other solid-state defect has exhibited millisecond-scale spin relaxation times at room temperature thus far. Here, we characterize the spin properties of the WAR5 defect in diamond [3] with pulsed electron spin resonance. The observed T1 is one of the longest for solid-state spin defects: 0.97(27) ms at room temperature and 14.38(19) min at 4 K. The observed coherence time (T2) is 246(7) µs, which can be extended to 6.49(34) ms at 4 K with dynamical decoupling. Finally, we demonstrate optical spin polarization with a range of wavelengths from 405 nm to 500 nm and propose potential zero-phonon line candidates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optical properties of vacancies in aluminum oxide (𝛼−Al 2 ⁢O 3 ) from first principles

We employ first-principles calculations based on hybrid density functional theory to investigate the structural and optical properties of the oxygen vacancy (𝑉 O ) and aluminum vacancy (𝑉 Al ) in 𝛼−Al 2 ⁢O 3 , the most stable (corundum) phase of alumina. Our calculations facilitate the identification of experimental excitation and luminescence spectra with specific electronic transitions at the vacancy sites. The absorption line shape for excitation of an electron at 𝑉$^0_O$ to the conduction-band minimum (CBM) is in excellent agreement with the 6.1 eV band detected by optical absorption spectroscopy, and we find that the 5.9 eV absorption band is generated by an internal electron transition at 𝑉$^0_O$. We confirm that the slowly decaying 3.0 eV emission band of the 𝐹 center is due to a triplet-singlet transition at 𝑉$^0_O$. Our calculations also reveal that the 4.8 eV/5.4 eV absorption and 3.8 eV emission bands assigned to the 𝐹 + center are generated by internal transitions at 𝑉$^{+1}_O$. The line shape for the excitation of an electron from 𝑉$^{+1}_O$ to the CBM agrees well with an absorption band at 6.4 eV, while the recombination of an electron with 𝑉$^{+2}_O$ also produces luminescence around 3.8 eV, but with a considerably broader line shape. For Al vacancies, we confirm that the most prevalent configuration in 𝛼−Al 2 ⁢O 3 is a split-vacancy configuration 𝑉 Al,s , and we calculate migration barriers for different directions in the corundum crystal. We predict absorption and emission spectra for the excitation and recombination of an electron localized at 𝑉$^{−3}_{Al}$ and 𝑉$^{−3}_{Al,s}$ sites with the CBM. The line shapes of the two 𝑉 Al configurations overlap and are considerably broader than the spectra corresponding to 𝑉 O .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Topological solitons in square-root graphene nanoribbons controlled by electric fields

Conjugational defects, also known as solitons, play an important role in the electronic, magnetic, and optical properties of materials. Understanding solitons can uncover intriguing physics and provide insights for designing quantum materials with tailored band structures and electronic properties. Here we propose a framework to create and control solitons via topological phase transitions in a class of graphene nanoribbons (GNRs) called square-root GNRs, using a transverse electric field. To demonstrate the experimental feasibility, we design and synthesize a representative GNR with a bottom-up approach, with first-principles calculations revealing topological soliton states at the domain wall induced by the electric field. In conclusion, the framework introduced in this work can potentially enable direct manipulation of solitons and provide a platform to study them systematically.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Electronic transport, thermal transport, thermal expansion, and magnetization in the strongly correlated metal LaNi⁢O 3

Perovskite structured LaNiO 3 is a strongly correlated metal with intriguing thermal and magnetic properties. The volume dependence of calculated and measured physical properties can add additional critical information to develop a more in-depth understanding of this strongly correlated phenomenon. Taking advantage of recent single crystal LaNiO 3 growth using the floating-zone method, we have measured the thermal expansion, the magnetostriction, and the pressure dependence of the magnetic susceptibility, which then allows derivation of the Grüneisen parameters γ e = $\frac{dlnN(E_F)}{d lnV}$, γ χ = $\frac{dlnχ}{d lnV}$, as well as of electric and thermal transport properties. We simulate the volume dependence of structural and magnetic properties using Density Functional Theory calculations at the Generalized Gradient Approximation level. A large discrepancy between experimental values and calculated ones suggests that strong correlations are likely to be dynamic in nature. This study also provides a side-by-side comparison of measurements in single crystal and polycrystalline samples of LaNiO 3 to elucidate intrinsic materials properties. A broad hump at high temperatures in the temperature dependence of magnetization found in the single crystal sample of LaNiO 3 has been rationalized by a model that includes the influence of electron correlations on the Landau diamagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Disorder-induced spin-cluster magnetism in a doped kagome spin liquid candidate

The search for new quantum spin liquid materials relies on systems with strong frustration such as spins on an ideal kagome lattice. However, lattice imperfections can have substantial effects which are as yet not well understood. In recent work, the two-dimensional kagome system YCu 3 ⁢(OH) 6 ⁢[(Cl 𝑥 ⁢Br (1−𝑥) ) 3−𝑦 ⁢(OH) 𝑦 ] has emerged as a leading candidate hosting a Dirac spin liquid which appears to survive at least for 𝑥 < 0.4, associated with alternating-bond-hexagon (ABH) disorder. Here in magnetic samples with 𝑥 = 0.58, 𝑦 = 0.1 we report unusual in-plane ferromagnetic canting (FM) of the in-plane antiferromagnet (AFM), with an unusually wide regime of short-ranged order, and propose theoretical models to explain this behavior. First, we show that Kitaev-type exchanges naturally arise on the kagome lattice to second order in the known Dzyaloshinskii-Moriya exchanges, and that these interactions can produce the unusual in-plane FM canting from antichiral AFM. Second, we propose a phenomenological model of weakly FM-canted spin clusters to describe the short-ranged regime and analyze quantum fluctuations in an ABH toy model to show how ABH disorder can stabilize this regime. Here, the combination of experimental observation and theory suggests that kagome-Kitaev interactions and ABH disorder are necessary for describing the magnetic fluctuations in this family of materials, with potential implications for the proposed proximate spin liquid phase.

Seth, Arnab [Georgia Institute of Technology, Atla↗
DOE OSTI2025

Neutron stars and the dense matter equation of state

The past two decades have witnessed tremendous progress in understanding the properties of neutron stars, their maximum mass and radii, and the properties of the dense matter in their cores, made possible by electromagnetic observations of neutron stars and the detection of gravitational waves from their mergers. These observations have provided novel constraints on neutron-star structure that are intimately related to the properties of dense neutron-rich matter described by the nuclear equation of state. Nevertheless, constraining the equation of state over the wide range of densities probed by astrophysical observations is still challenging, as the physics involved is broad and the system spans many orders of magnitude in density. Here, theoretical approaches to calculate and model the neutron-star equation of state in various regimes of densities are reviewed, and the related consequent properties of neutron stars are discussed. How the equation of state at low densities can be calculated from nuclear interactions that are constrained and benchmarked by nuclear experiments is described. Neutron-star observations, with a particular emphasis on information provided by gravitational-wave signals and electromagnetic observations, are reviewed. Finally, future challenges and opportunities in the field are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Electronic and optical properties of transition metal impurities in GaN and AlN

The optical properties of Cr(III) impurities are well studied and exploited in 𝛼−Al 2 ⁢O 3 , which enables ruby lasers. Photoluminescence spectra resembling the famous 1.78 eV emission of Cr in 𝛼−Al 2 ⁢O 3 have been observed in other wide-band-gap host materials, in particular AlN. However, it is unclear whether Cr would produce the same emission in the nitrides as in 𝛼−Al 2 ⁢O 3 , especially given the different local environment (tetrahedral vs octahedral coordination). We investigate the electronic and optical properties of transition metal substitutional impurities (Cr, Co, Ni, and Cu) in wurtzite GaN and AlN from first principles, utilizing hybrid density functional theory. We calculate the optical transition energies using a constrained occupation approach that accounts for the multideterminant nature of the excited states. Our results indicate that substitutional Cr(III) is not responsible for the emission near 1.78 eV observed in the nitrides. Among the examined impurities, only substitutional Co(II) produces emission near 1.78 eV. Based on the favorable properties of Co(II) (low formation energy, small Huang-Rhys factor, and an 𝑆 = 3/2 ground state) we propose it as a promising single-photon emitter or spin qubit. We additionally assign the PL peak observed near 1.05 eV in GaN and AlN to the 2 𝐸→ 4 𝐴 2 transition of the Ni(III) substitution.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Carbon-nitrogen complex as an alternative to the 𝑇 center in Si

A first-principles study of a carbon-nitrogen (CN) impurity complex in silicon is presented as an isoelectronic alternative to the T center [(CCH) Si ]. The latter has been pursued for applications in quantum information science, yet its sensitivity to the presence of hydrogen is still problematic. Our proposed complex has no hydrogen, thereby eliminating this issue. First, we show that the CN complex is stable against decomposition into substitutional and interstitial defects. Next, we show that due to being isoelectronic to the T center, the CN complex has a similar electronic structure, and therefore could be used in similar applications. We assess several low-energy configurations of the CN complex, finding (CN) Si to be stable and have the largest Debye-Waller factor. We predict a zero-phonon line (ZPL) of 828 meV (in the telecom S-band) and a radiative lifetime of 4.2 μs, comparable to the T center. Due to the presence of a bound exciton, choice of the exchange-correlation functional and also supercell-size scaling of the ZPL and transition dipole moment require special scrutiny; we rigorously justify our extrapolation schemes that allow computing values in the dilute limit.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Challenges and Gaps in the Development of Pulsed Power for Fusion Applications: A Preroadmapping Perspective From Industry, Academia, and National Laboratory Experts

Fusion energy meets the twenty-first century World Grand Challenge of sustainable, ubiquitous, and safer energy sources. However, harnessing the promise of fusion energy has proven elusive. The competing approaches to fusion power plant design include inertial confinement fusion, National Ignition Facility (ICF-NIF, Z machine, etc.,) magnetic confinement fusion (MCF-Tokamak, stellarators, etc.), and other approaches that show promise in small- (flow stabilized Z pinches) or large-scale applications. These approaches are being accelerated with private and public funding and seek to demonstrate the feasibility of different approaches to fusion-based power plants. Yet, how can the necessary pulsed power technologies for these disruptive technology bases be accelerated with no clear “Dominant Design?” Roadmapping holds the promise to identify and develop common critical pulsed power components for laboratory, prototype, and commercial fusion, and can accelerate the commercialization of fusion reactor designs. A preroadmapping Workshop on Pulsed Power for Fusion was held at the IEEE International Pulsed Power Conference in San Antonio, TX, USA, in June 2023. The workshop had 177 attendees. Here, the common elements for many of the ICF technologies vying for dominant design were identified. The advancement of these technologies through roadmapping will enhance commercial expectations that require their rapid and innovative development in the next five years, as well as the next five to ten years. The key technologies identified that underpin and limit the advancement of fusion power include pulsed power technologies such as energy storage, high-voltage switching, additive manufacturing, and modular pulsed power circuit topologies. In conclusion, they are the focus of our effort in the following roadmap scenario, which will delineate potential paths to technology development.

Curry, Randy D. [I-Pulse Group, Albuquerque, NM (U↗
DOE OSTI2026

Vapor phase deposition of alumina on interior surfaces of tritium storage containers

Efficient tritium management and containment are critical challenges for nuclear fusion. To mitigate issues related to permeation into structural materials and isotopic exchange with protium, permeation barriers must be applied to the nonplanar internal surfaces of tritium handling components. In this study, we developed an atomic layer deposition (ALD) system to deposit films on canisters used to store and transport tritium. Growth conditions for deposition of Al 2 O 3 were mapped spatially along the length of a canister using silicon witness samples characterized by ellipsometry, atomic force microscopy, and x-ray reflectivity (XRR). We identified ALD process windows for growth at temperatures between 100 and 140 °C. Furthermore, we compared films grown on our Si witness samples to those grown on polished stainless steel 316 (SS316). X-ray photoelectron spectroscopy indicates two distinct chemical states for the alumina, while XRR confirms that the overall growth rate is similar to the 1.1 Å/cycle that we observed on the Si witness samples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Evaluation of the EarthSHAB Stratospheric Solar Hot Air Balloon Flight Prediction Model Using Balloon Trajectory Data

Abstract The heliotrope is a solar balloon design which is constructed out of painter’s plastic, and the exterior is coated in charcoal powder. Darkening the plastic gives the balloon a high solar absorptance, which allows it to ascend into the lower stratosphere and float for hours at a time. The balloons have previously been used to lift scientific instruments into the stratosphere to study chemical explosions, earthquakes, and stratospheric aerosols. They have also been proposed as a platform for planetary exploration. Flight predictions are crucial to preflight planning to reduce safety risks and meet flight objectives. However, there exists a wide range of possible flight paths due to varying environmental conditions and solar balloon configurations. EarthSHAB is one such software that was designed to support flight planning using the weather forecasts and balloon properties to predict the flight path of a solar balloon. We compare EarthSHAB-simulated flight paths to a set of observed flight paths for the 3.5-m diameter heliotrope design called the “Cloudskimmer.” Using the criteria that the modeled paths must fall within 5% of the observations to be considered successful, we found that EarthSHAB successfully predicted the Cloudskimmer ascent rate and average float altitude 10% and 90% of the time, respectively. We also found that the average difference in the observed and predicted landing locations was 97 km and landing times were 54 ± 38 min. Significant deviations between the observed and predicted ascent rates and excursions at float were found to be associated with heavy payloads and convective cloud development, respectively. Significance Statement Solar balloons are used to lift scientific instruments into the lower stratosphere for hours at a time to study chemical explosions, earthquakes, stratospheric aerosols, and more. The flight paths of solar balloons can be difficult to predict due to variability in their design and surrounding environment. We evaluate the accuracy of EarthSHAB, a software that predicts the altitude profile and horizontal trajectory of a solar balloon using inputs such as the weather, balloon size, and balloon mass. Our results suggest that for the balloon design used in this study, EarthSHAB is best suited for modeling the behavior of balloons with lightweight payloads that do not fly within or directly above clouds.

Lien, Jessica M. [Sandia National Laboratories, Al↗
DOE OSTI2025

Thermally tunable mid-infrared nanocavity resonance of coupled surface plasmon-phonon polaritons

Phase-change materials (PCMs) are essential for achieving tunability of metasurfaces. However, they frequently face limitations in the long-wave infrared range because of their lossy behavior. Here, we experimentally demonstrate a thermally tunable mid-infrared nanocavity resonance from coupled surface plasmon-phonon polaritons that are supported within a trilayer structure of metal-PCM layer-polar dielectric (Au-VO 2 -SiC). The top metal structures configure the Fabry-Perot cavity resonance near 840 cm −1 (11.9 µm), which is sensitively tunable and reversible with small changes in the VO 2 refractive index ∆n near below its insulator-to-metal phase transition temperature where the loss is small. The maximum resonance shift of 7.7 cm −1 is induced by a small ∆n = 0.3 over a temperature change of 3°C. The tuning figure of merit is comparable to the current standard in photonic modulator applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electrodynamics of photo-carriers in multiferroic Eu 0.75 Y 0.25 MnO 3

Understanding and controlling the antiferromagnetic order in multiferroic materials on an ultrafast time scale is a long standing area of interest, due to their potential applications in spintronics and ultrafast magnetoelectric switching. We present an optical pump-terahertz (THz) probe study on multiferroic Eu 0.75 Y 0.25 MnO 3 . The optical pump predominantly excites the d-d transitions of the Mn 3+ ions, and the temporal evolution of the pump-induced transient conductivity is measured with a subsequent THz pulse. Two distinct, temperature-dependent decay times are revealed. The shorter relaxation time corresponds to spin-lattice thermalization, while the longer one is ascribed to electron-hole recombination. A spin-selection rule in the relaxation process is proposed in the magnetic phase. Slight suppression of the electromagnons was observed after the optical pump pulse within the spin-lattice thermalization time scale. These observed fundamental magnetic processes can shed light on ultrafast control of magnetism and photoinduced phase transitions in multiferroics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Defect-engineered GaN high electron mobility transistors for enhanced radiation tolerance

This study explores the radiation resilience of GaN high-electron-mobility transistors (HEMTs) under various preconditioning treatments—pristine, electro-pulsed, electrically overstressed, and 60 Co gamma-irradiated—with a focus on enhancing survivability in high-radiation environments. Key findings emphasize the gate region’s central role in radiation sensitivity, with increased defect concentrations leading to reduced sensitivity—as determined from reduced single-event transient intensities during pulsed-laser studies—and impacting charge-transport dynamics. Notably, the most sensitive region shifted as a function of bias state, with the drain side of the gate being most sensitive under negative gate bias and the source side under unbiased conditions due to two-dimensional electron gas disruptions. These insights clarify the mechanisms influencing radiation sensitivity in microelectronics and highlight the potential of defect and strain engineering to enhance the radiation hardness of GaN HEMTs across various operational states, providing valuable guidance for applications in space, defense, and other radiation-rich environments.

36 MATERIALS SCIENCE↗