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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

High Field Side Launch of RF Waves: A New Approach to Reactor Actuators

Launching radio frequency (RF) waves from the high field side (HFS) of a tokamak offers significant advantages over low field side (LFS) launch with respect to both wave physics and plasma material interactions (PMI). For lower hybrid (LH) waves, the higher magnetic field opens the window between wave accessibility and the condition for strong electron Landau damping, allowing LH waves from the HFS to penetrate into the core of a burning plasma, while waves launched from the LFS are restricted to the periphery of the plasma. The lower of waves absorbed at higher yields a higher current drive efficiency as well. In the ion cyclotron range of frequencies (ICRF), HFS launch allows for direct access to the mode conversion layer where mode converted waves absorb strongly on thermal electrons and ions, thus avoiding the generation of energetic minority ion tails. The absence of turbulent heat and particle fluxes on the HFS, particularly in double null configuration, makes it the ideal location to minimize PMI damage to the antenna structure. The quiescent SOL also eliminates the need to couple LH waves across a long distance to the separatrix, as the antenna can be located close to plasma without risking damage to the structure. Improved impurity screening on the HFS will help eliminate the long-standing issues of high Z impurity accumulation with ICRF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A thermodynamic condition for ignition and burn-propagation in cryogenic layer inertially confined fusion implosions

A Lawson-like criterion for ignition (where self-heating dominates over all energy losses) in a dynamic implosion is developed, which accounts for asymmetry and for differences in an implosion x-ray confinement quality. It is shown that the thermodynamic ignition condition is equivalent to yield amplification levels of 16–32. Since negative pdV work of expansion after stagnation increases energy losses above that of x-ray and electron-conduction losses, the Lawson-like ignition criterion is necessary but not sufficient for igniting the hot spot to propagate into the DT fuel with sufficient vigor to generate high gain. Additionally, a higher dimensional generalization of the Lawson-like criterion, which includes the cooling of the implosion upon disassembly, does provide the needed criteria, and it shows that significantly higher temperature is needed for very high levels of yield amplification compared to what traditional ignition metrics imply.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Energy density driven ultrafast electronic excitations in a cuprate superconductor

Controlling nonequilibrium dynamics in quantum materials requires ultrafast probes with spectral selectivity. We report femtosecond reflectivity measurements on the cuprate superconductor Bi 2⁢ Sr 2⁢ CaCu 2 ⁢O 8+𝛿 using free-electron laser extreme-ultraviolet (23.5–177 eV) and near-infrared (1.5 eV) pump pulses. EUV pulses access deep electronic states, while NIR light excites valence-band transitions. Despite these distinct channels, both schemes produce nearly identical dynamics: above 𝑇 𝑐 , excitations relax through fast (100–300 fs) and slower (1–5 ps) channels; below 𝑇 𝑐 , a delayed component signals quasiparticle recombination and condensate recovery. We find that when electronic excitations are involved, the ultrafast response is governed mainly by absorbed energy rather than by the microscopic nature of the excitation. In contrast, bosonic driving in the THz or midinfrared produces qualitatively different dynamics. By demonstrating that EUV excitation of a correlated superconductor yields macroscopic dynamics converging with those from optical pumping, this work defines a new experimental paradigm: FEL pulses at core-level energies provide a powerful means to probe and control nonequilibrium electronic states in quantum materials on their intrinsic femtosecond timescales. This establishes FEL-based EUV pumping as a new capability for ultrafast materials science, opening routes toward soft x-ray and attosecond studies of correlated dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Radiation Response of Ga 2 O 3 MOSFETs Probed via Focused Particle Beams

Gallium Oxide (Ga 2 O 3 ), particularly in its β-phase, is attracting lots of interest for high-power and high-voltage electronics due to its wide bandgap, high breakdown field, and thermal stability. This study investigates the radiation response of Ga 2 O 3 Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs) under Total Ionizing Dose (TID) and Displacement Damage (DD) conditions, which are critical for applications in radiation environments. Utilizing a dual-beam Focused Ion Beam and Scanning Electron Microscope setup, microscale analysis of radiation effects on individual devices is performed. The findings reveal distinct behaviors under TID and DD + TID conditions, with TID leading to threshold voltage shifts due to trapped charges, while DD results in decreased drive current attributed to increased carrier scattering from lattice defects. Notably, it is demonstrated that the TID effect can be mitigated through dynamic threshold voltage adjustments and that the predicted TID from ions calculated by Monte Carlo simulations overestimates actual TID due to unaccounted charge yield effects. In conclusion, this research enhances the understanding of Ga2O3 MOSFETs' performance in harsh radiation environments, providing insights for the design of robust electronic devices for space and nuclear applications.

MOSFET↗
DOE OSTI2024

Nuclear Quantum Effects on the Electronic Structure of Water and Ice

The electronic properties and optical response of ice and water are intricately shaped by their molecular structure, including the quantum mechanical nature of the hydrogen atoms. Despite numerous previous studies, a comprehensive understanding of the nuclear quantum effects (NQEs) on the electronic structure of water and ice at finite temperatures remains elusive. Here, we utilize molecular simulations that harness efficient machine-learning potentials and many-body perturbation theory to assess how NQEs impact the electronic bands of water and hexagonal ice. By comparing path-integral and classical simulations, we find that NQEs lead to a larger renormalization of the fundamental gap of ice, compared to that of water, ultimately yielding similar bandgaps in the two systems, consistent with experimental estimates. Our calculations suggest that the increased quantum mechanical delocalization of protons in ice, relative to water, is a key factor leading to the enhancement of NQEs on the electronic structure of ice.

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

Electronic Structure and Bonding of US, SUO, and US 2

Anion photoelectron spectra of US – and US 2 – were recorded using the third (355 nm) and fourth (266 nm) harmonics of an Nd:YAG laser, which yielded vertical detachment energies (VDEs) of 1.71 and 2.02 eV, respectively. The experimental results are supported by extensive relativistic ab initio calculations, primarily at the coupled cluster level of theory, with systematic sequences of correlation consistent basis sets. Calculations include the closely related SUO and SUO – molecules, as well as the oxide congeners UO/UO – and UO 2 /UO 2 – which are well-known experimentally and provide benchmark systems for the sulfide calculations. Adiabatic electron detachment energies (ADEs) are computed for UO – , UO 2 – , US – , SUO – , and US 2 – using the Feller–Peterson–Dixon (FPD) composite approach. Additionally, ADEs are determined for UO – and US – using a spinor-based coupled cluster approach where spin–orbit coupling is included at the orbital level. VDEs are derived from the ab initio results from Franck–Condon simulations of the photoelectron spectra.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

The Magnetized Indirect Drive Project on the National Ignition Facility

A new project is underway at the National Ignition Facility with the goal of applying a seed magnetic field to the fusion fuel in an indirect drive hohlraum implosion and quantifying the effect on the hot-spot temperature, shape and neutron yield. Magnetizing fusion fuel is calculated to reduce heat loss from the implosion core by constraining the motion of electrons and fusion-generated alpha particles; this can improve the chances of achieving high-gain fusion in a laboratory plasma. Here, we describe the goals of this project and the significant scientific and technological challenges which must be overcome for this project to succeed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

O 2 -Dependence of reactions of 1,2-dimethoxyethanyl and 1,2-dimethoxyethanylperoxy isomers

Reaction mechanisms of Ṙ and ROȮ radicals derived from low-temperature oxidation of 1,2-dimethoxyethane (CH 3 O(CH 2 ) 2 OCH 3 ) were investigated using speciation from multiplexed photoionization mass spectrometry (MPIMS) measurements via Cl-initiated oxidation, in conjunction with electronic structure calculations. The experiments were conducted at 5 bar, from 450 K – 650 K, and O 2 concentrations from 1 · 10 14 cm –3 – 6 · 10 18 cm –3 to probe the effects on competing reaction channels of 1,2-dimethoxyethanyl (Ṙ) and 1,2-dimethoxyethanylperoxy (ROȮ) isomers. Several species were detected with photoionization spectral fitting – ethene, formaldehyde, methyl vinyl ether, and 2-methoxyacetaldehyde – and, as determined by electronic structure calculations, may form via unimolecular decomposition of 1,2-dimethoxyethanyl or 1,2-dimethoxyethanylperoxy. O 2 -dependent yield ratios show that the formation pathways for all species undergo a competition between O 2 -addition and unimolecular decomposition. Here, adiabatic ionization energies were also calculated and utilized along with exact mass determinations to infer contributions for other species derived exclusively from first- and second-O 2 -addition, including 1,2-dimethoxyethene, cyclic ethers, and dicarbonyls.

1,2-dimethoxyethane↗
DOE OSTI2024

Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys

Multi-principal-element alloys (MPEAs) based on 3d-transition metals show remarkable mechanical properties. In this study, the stacking fault energy (SFE) in face-centered cubic (fcc) alloys is a critical property that controls underlying deformation mechanisms and mechanical response. Here, we present an exhaustive density-functional theory study on refractory- and copper-reinforced Cantor-based systems to ascertain the effects of refractory metal chemistry on SFE. We find that even a small percent change in refractory metal composition significantly changes SFEs, which correlates favorably with features like electronegativity variance, size effect, and heat of fusion. For fcc MPEAs, we also detail the changes in mechanical properties, such as bulk, Young's, and shear moduli, as well as yield strength. A Labusch-type solute-solution-strengthening model was used to evaluate the temperature-dependent yield strength, which, combined with SFE, provides a design guide for high-performance alloys. We also analyzed the electronic structures of two down-selected alloys to reveal the underlying origin of optimal SFE and strength range in refractory-reinforced fcc MPEAs. These new insights on tuning SFEs and modifying composition-structure-property correlation in refractory- and copper-reinforced MPEAs by chemical disorder, provide a chemical route to tune twinning- and transformation-induced plasticity behavior in fcc MPEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Friction stir welding and self-ion irradiation effects on microstructure and mechanical properties changes within oxide dispersion strengthened steel $\mathrm{MA956}$

We report the joining process for oxide dispersion strengthened (ODS) alloys remains a key challenge facing the nuclear community. The microstructure and mechanical properties were characterized in the base material and friction stir welded ODS MA956 irradiated with 5 MeV Fe 2+ ions from 400 to 500°C up to 25 dpa. Nanoindentation was performed to assess changes in hardness and yield stress, and the dispersed barrier hardening (DBH) model was applied to described results. A combination of scanning transmission electron microscopy (STEM) and atom probe tomography (APT) were used to assess evolution of the microstructure including dispersoids, network dislocations and dislocation loops, nanoclusters, and solid solution concentrations. Overall, softening was observed as a result of increased dose, which was exacerbated at 500°C. The formation and coarsening of new dispersoids was noted while nanoclusters tended to dissolve in the base material, and were not observed in the stir zone. Solute nanocluster evolution was identified as a primary driver of the changes in mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Role of Surface Oxygen Vacancies in BiVO 4

Bismuth vanadate (BiVO 4 ) is a widely studied oxide in solar water splitting, known for its ease of synthesis, high charge extraction yields, and advantageous band alignment with water. We present a combined first-principles and experimental study of the electronic structure of the (010) surface of BiVO 4 aimed at disentangling the impact of the surface and bulk oxygen vacancies on the electronic structure and transport properties. We found that oxygen vacancies are deep donors at the surface as they are in the bulk; our calculations on defect and polaron formation energies suggest that, while polarons formed from oxygen vacancies in the bulk can contribute to conductivity, those at the surface likely do not. Our results also show that out-of-plane structural relaxations at the surface contribute to the relatively immobile nature of electron polarons derived from surface oxygen vacancies. The structural model derived from first-principles calculation was validated by comparing computed results with experimental measurements of single-crystal and epitaxially grown single-crystalline BiVO 4 samples. Finally, we also found a reasonably good agreement between our calculated and measured work functions for BiVO 4 samples with and without oxygen vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pseudomonas sp. Strain 273 Degrades Fluorinated Alkanes

Fluorinated organic compounds have emerged as environmental constituents of concern. We demonstrate that the alkane degrader Pseudomonas sp. strain 273 utilizes terminally monofluorinated C 7 –C 10 alkanes and 1,10-difluorodecane (DFD) as the sole carbon and energy sources in the presence of oxygen. Strain 273 degraded 1-fluorodecane (FD) (5.97 ± 0.22 mM, nominal) and DFD (5.62 ± 0.13 mM, nominal) within 7 days of incubation, and 92.7 ± 3.8 and 90.1 ± 1.9% of the theoretical maximum amounts of fluorine were recovered as inorganic fluoride, respectively. With n-decane, strain 273 attained (3.24 ± 0.14) × 10 7 cells per μmol of carbon consumed, while lower biomass yields of (2.48 ± 0.15) × 10 7 and (1.62 ± 0.23) × 10 7 cells were measured with FD or DFD as electron donors, respectively. The organism coupled decanol and decanoate oxidation to denitrification, but the utilization of (fluoro)alkanes was strictly oxygen-dependent, presumably because the initial attack on the terminal carbon requires oxygen. Fluorohexanoate was detected as an intermediate in cultures grown with FD or DFD, suggesting that the initial attack on the fluoroalkanes can occur on the terminal methyl or fluoromethyl groups. Overall, the findings indicate that specialized bacteria such as Pseudomonas sp. strain 273 can break carbon–fluorine bonds most likely with oxygenolytic enzyme systems and that terminally monofluorinated alkanes are susceptible to microbial degradation. The findings have implications for the fate of components associated with aqueous film-forming foam (AFFF) mixtures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Using neutrons and x rays to measure plasma conditions in a solid sphere of deuterated polyethylene compressed to densities of 35 g/cc at temperatures of 2 keV and pressures of 40 Gbar

This paper describes an experiment that shock compresses the center of a solid deuterated polyethylene sphere, CD 2 , to densities of 35 g/cc and temperatures of 2 keV with corresponding pressure of 40 Gbar. The design employs a strong spherically converging shock launched through a solid ball of material using a Hohlraum radiation drive. As the shock coalesces at the center it produces a hot spot that we characterize by measuring the x-ray self-emission and 2.45 MeV neutrons emitted. Two-dimensional images and time-resolved measurements of the x rays emitted determine the size and time duration of the hot spot, leading to an estimated 2k eV electron temperature. The neutron time of flight spectrometer measures an average ion temperature of 1.06 ± 0.15 keV and neutron yield of 7.0 (±0.5) × 10 9 DD neutrons. Our new distribution function tool enables us to create a forward model of the experimental data based on 1D radiation-hydrodynamic simulations, leading to a better understanding of the plasma conditions that produce the measured neutrons and x rays. Furthermore, our simulations indicate that the x rays are produced in a short-lived hot-dense core over tens of picoseconds, whereas the neutron emission continues for about 200 ps, as the hot core starts to expand, thereby leading to a lower mean temperature of the plasma during neutron production. This finding is in agreement with the experimental data, and we therefore conclude that the forward-modeling is a useful tool for inferring the conditions of the hot spot in a laser-driven implosion during burn.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Magnetized ICF implosions: Scaling of temperature and yield enhancement

This work investigates the impact of an applied magnetic field on the yield and hot-spot temperature of inertial confinement fusion implosions. A scaling of temperature amplification due to magnetization is shown to be in agreement with unperturbed two-dimensional (2D) extended-magnetohydrodynamic simulations. A perfectly spherical hot-spot with an axial magnetic field is predicted to have a maximum temperature amplification of 37%. However, elongation of the hot-spot along field lines raises this value by decreasing the hot-spot surface area along magnetic field lines. A scaling for yield amplification predicts that a magnetic field has the greatest benefit for low-temperature implosions; this is in agreement with simplified 1D simulations, but not 2D simulations where the hot-spot pressure can be significantly reduced by heat-flow anisotropy. Simulations including a P2 drive asymmetry then show that the magnetized yield is a maximum when the capsule drive corrects the hot-spot shape to be round at neutron bang time. An applied magnetic field is also found to be most beneficial for implosions that are more highly perturbed, exceeding the theoretical yield enhancement for symmetric hot-spots. Increasing the magnetic field strength past the value required to magnetize the electrons is beneficial due to the additional suppression of perturbations by magnetic tension.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Nondestructive microstructural investigation of defects in 4H-SiC epilayers using a multiscale luminescence analysis approach

The development of metal oxide semiconductor field effect transistors (MOSFETs) utilizing epitaxially grown 4H-SiC has accelerated in recent years due to their favorable properties, including a high breakdown field, high saturated electron drift velocity, and good thermal conductivity. However, extended defects in epitaxial 4H-SiC can affect both device yields and operational lifetime. In this work, we demonstrate the importance of a multiscale luminescence characterization approach to studying nondestructively extended defects in epitaxial 4H-SiC semiconducting materials. Multiscale luminescence analysis reveals different aspects of excess charge carrier recombination behavior based on the scale of a particular measurement. Combining measurements of the same extended defect area at different scales tells us more about the essential nature of that defect and its microstructure. Here, we use photoluminescence imaging and cathodoluminescence spectrum imaging to investigate the recombination behavior of several different types of extended defects, including stacking faults, inclusions, and basal plane dislocations. A detailed understanding of the optoelectronic properties of extended defects in epitaxial SiC helps elucidate the microstructure of extended defects and can provide pathways to mitigate detrimental changes during device operation related to their evolution, such as the recombination enhanced dislocation glide effect that affects SiC-based MOSFETs.

3C-inclusion↗
DOE OSTI2025

Enhanced shear stabilization of turbulence in NSTX

In studying a particular non-stationary NSTX L-mode plasma, we observed unexpectedly high levels of flux—first with quasilinear (TGLF) modeling and subsequently with nonlinear gyrokinetic simulations. Upon more detailed analysis, a novel confinement regime was discovered in which a modest increase in E x B shear (beyond baseline experimental estimates) rapidly reduced turbulent transport to levels consistent with power balance. This modest increase is plausible given the errors inherent to the estimation of shearing rates, and the added complexity of the non-stationary (time-dependent) power balance. Remarkably, an additional small increase in shear yields the familiar ion-neoclassical transport level with what appears to be the onset of high-k electron transport only. Although analyses using the TGLF-SAT2 model successfully capture numerous parametric dependencies of this plasma, TGLF does not reproduce the rapid E x B stabilization seen in CGYRO. We believe the results presented should help to better characterize the nonlinear physics of spherical tokamak confinement regimes, provide useful ST datasets for reduced model development, and motivate more accurate experimental diagnosis of E x B shearing rates.

Atomic and molecular collisions↗
DOE OSTI2026

Ultrafast x-ray scattering of photodissociation dynamics in 2-iodothiophene

Here, a time-resolved x-ray scattering (TRXS) investigation of the photodissociation dynamics of gas-phase 2-iodothiophene molecules following 252 nm excitation is presented. Structural evolution of the molecule and dynamical information on the resulting photofragments were captured using femtosecond x-ray free-electron laser pulses. Two dissociation pathways were identified, arising via excitation to ππ* and (n/π)σ* states, respectively, yielding distinct interfragment recoil velocities of ∼6.4 Åps −1 and 17.0 Åps −1 . A comparison of asymptotic scattering data with simulated patterns indicates that the thiophene ring remains closed following dissociation at this wavelength. Modeling the experimental data yields a branching ratio of ∼3:1 in favor of the high velocity channel. These findings demonstrate the capability of TRXS to disentangle concurrent ultrafast reaction pathways and provide detailed structural insight into energy redistribution during photoinduced bond fission in complex molecular systems.

Razmus, Weronika O. [Univ. of Southampton (United ↗
DOE OSTI2021

Ion temperature anisotropy in the tokamak scrape-off layer

Understanding tokamak exhaust-power heat loads on divertor plates depends critically on having a realistic model of the scrape-off layer (SOL) plasma. The Braginskii fluid model is often solved to understand the SOL plasma behavior. This model is based on the collisional limit for transport along the magnetic field B → . The ions and electron gyrofrequencies are assumed to be much larger than the Coulomb collision frequencies, which are nonetheless, sufficiently large to yield common parallel and perpendicular temperatures for each species, i.e. the temperatures are assumed to be isotropic. Additionally, in certain circumstances such as encountered for the tokamak H-mode, the ion temperature can be quite anisotropic. In this work, the anisotropy effects are implemented in the two-dimensional (2D) transport code UEDGE. Various geometries (1D slab, 2D slab and a toroidal tokamak geometry) are used to study the 2D structure of ion temperature anisotropy and its effects on plasma transport in detail. Results show that the effects of ion temperature anisotropy on the plasma parallel transport are substantial near the magnetic X-point, which leads to different steady state density profiles in the divertor regions. The extra mirror force introduced by ion temperature anisotropy can be one of the main forces contributing to the plasma flow in the SOL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗