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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Simulations of saturated MHD activity in the HBT-EP tokamak

The NIMROD code is used to perform simulations of MHD activity in the HBT-EP tokamak, including the effect of a resistive wall. Linear simulations are conducted to scan current and pressure profiles to establish self-consistent baseline equilibria that result in MHD instabilities with low error between experimental diagnostics and synthetic equivalents. A family of such equilibria is found with relatively peaked current and pressure profiles. Nonlinear simulations are performed using the optimal equilibrium, which is linearly unstable to a Resistive Wall Mode—stable in the ideal wall limit and with an Alfvénic growth rate in the no-wall limit. Using resistive wall boundary conditions, nonlinear Hall MHD simulations yield a rotating, saturated n=1 mode similar to the type observed experimentally in HBT-EP discharges. An n=1 mode around the q=2 surface mediates a localized axisymmetric perturbation that flattens the plasma current from a linearly unstable state to a 3D, rotating, stable state. During the saturated period, periodic changes in inter-diagnostic phase lag allow for qualitative estimations of effective, macroscopic transport coefficients used in MHD closure models and could be extended to model post-disruption MHD structure rotation after thermal quenches seen in HBT-EP.

Arnold, David A. (ORCID:0009000059535761)↗
DOE OSTI2024

Engineering shallow and deep level defects in $\kappa$-Ga 2 O 3 thin films: comparing metal-organic vapour phase epitaxy to molecular beam epitaxy and the effect of annealing treatments

Orthorhombic gallium oxide (κ-Ga 2 O 3 ) is an ultra-wide bandgap semiconductor with great potential in new generation electronics. Its application is hindered at present by the limited physical understanding of the relationship between synthesis and functional properties. This work discusses the effects of growth method (metal-organic vapour phase epitaxy and molecular beam epitaxy) as well as annealing treatments in different atmospheres (O 2 , H 2 ) on point defects in κ-Ga 2 O 3 layers epitaxially grown on c-plane sapphire. Comprehensive experimental characterization by X-ray diffraction, photo current-as well as photoluminescence excitation spectroscopy, and X-ray photo electron spectroscopy is combined with first principles calculations of the point defects’ formation and complex-dissociation energies. We demonstrate that for κ-Ga 2 O 3 the concentration of shallow and deep level defects can be sensitively controlled through annealing treatments at temperatures (T = 500 °C) well below the thermal stability threshold of this polymorph. In particular, our results suggest that hydrogen-related defects (e.g., H-interstitials, Ga-vacancies—H complexes) play a key role in this process. While we provide direct exemplary implications of our results for the performances of κ-Ga 2 O 3 based photodetectors, these findings are predicted to impact further application fields of κ-Ga 2 O 3 , such as high electron mobility transistors or memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Physical Properties of Candidate X-ray Detector Material Rb 4 Ag 2 BiBr 9

Recently, metal halide perovskites have emerged as promising semiconductor candidates for sensitive X-ray photon detection due to their suitable band gap energies, excellent charge transport properties, and low material cost afforded by their low-temperature solution-processing preparation. Furthermore, we report an improved methodology for single crystal growth and thermal and electrical properties of a two-dimensional (2D) layered halide material Rb 4 Ag 2 BiBr 9 , which has been identified as a potential candidate for X-ray radiation detection applications. The measured heat capacity for Rb 4 Ag 2 BiBr 9 implies that there are no structural phase transitions upon cooling. Temperature dependence of thermal transport measurements further suggests remarkably low thermal conductivities of Rb 4 Ag 2 BiBr 9 that are comparable to the lowest reported in literature. The bulk crystal resistivity is determined to be 2.59 × 10 9 Ω·cm from the current–voltage (I–V) curve. Density of trap states is estimated to be ~10 10 cm –3 using the space-charge-limited-current measurements. The fabricated Rb 4 Ag 2 BiBr 9 -based X-ray detector shows good operational stability with no apparent current drift, which may be ascribed to the 2D crystal structure of Rb 4 Ag 2 BiBr 9 . Finally, by varying the X-ray tube current to change the corresponding dose rate, the Rb4Ag2BiBr9 X-ray detector sensitivity is determined to be 222.03 μC Gy –1 cm –2 (at an electric field of E = 24 V/mm).

36 MATERIALS SCIENCE↗
DOE OSTI2026

Physics basis for the reference flat-top plasma scenario in the ST–E1 fusion power plant

As part of the U.S. Department of Energy’s Milestone-Based Fusion Energy Development Program, Tokamak Energy has completed the pre-concept design of the ST–E1 fusion power plant. ST–E1 is envisaged to operate in two phases: a pilot plant phase, targeting sustained net power production of 300 - 500 MWe for a duration >1 hr, followed by a commercial power plant phase targeting steady-state operations and a normalised overnight capital cost of ⩽12 000 $\$$/kWe. The design process adopted was highly iterative, integrating all major plant systems and progressing in a phased fidelity approach. At the pre-conceptual stage, the emphasis has been on exploring the design space, identifying the main system-level trade-offs, and making the key decisions that define the overall plant concept, rather than optimising a single operating point. This paper, part of a focused collection detailing the ST–E1 pre-concept design, addresses the development of a series of reference flat-top plasma operating points for the pilot plant phase. A modelling workflow was established to develop and assess candidate plasma design points and explore key dependencies. The workflow includes integrated core plasma modelling, magnetohydrodynamic (MHD) stability assessment, equilibrium generation, scrape-off-layer and exhaust modelling, heating & current drive design and optimisation, and turbulent transport modelling. Using this framework, the impact of several key parameters on the flat-top operating space was investigated, including the density limit, core radiation fraction and divertor power loading, level of external heating and curent drive power and assumed pedestal characteristics. The MHD stability, controllability and micro-stability characteristics of these plasmas were also analysed. These investigations informed the definition of a set of fully non-inductive, flat-top reference operating points that satisfy the high-level ST–E1 mission, including a low and high density case, a case that is stable to resistive wall modes and a case with reduced divertor power loading.

ST–E1↗
DOE OSTI2026

Impact of Crystalline Phases on Low-Activity Waste Glass Durability: Insights from PCT and VHT

During vitrification of nuclear wastes, slow cooling along the container centerline promotes crystalline phase formation, which can alter residual glass composition and reduce chemical durability. This study investigates the effects of crystalline phases on the chemical durability of low-activity waste (LAW) borosilicate glasses using the product consistency test (PCT) and vapor hydration test (VHT) on container centerline cooled (CCC) samples. A preliminary model (R2 = 0.88) was developed to predict CCC PCT responses based on glass composition, PCT data from quenched glasses, and measured crystal fractions. Using the latest LAW glass dataset, the feasibility of predictive modeling is evaluated, limitations in current data and methods are identified, and challenges for improving model accuracy are discussed to guide future data collection and model development.

borosilicate glass↗
DOE OSTI2023

Search for keV-scale sterile neutrinos with the first KATRIN data

In this work we present a keV-scale sterile-neutrino search with a low-tritium-activity data set of the KATRIN experiment, acquired in a commissioning run in 2018. KATRIN performs a spectroscopic measurement of the tritium β-decay spectrum with the main goal of directly determining the effective electron anti-neutrino mass. During this commissioning phase a lower tritium activity facilitated the measurement of a wider part of the tritium spectrum and thus the search for sterile neutrinos with a mass of up to 1.6 keV. We do not find a signal and set an exclusion limit on the sterile-to-active mixing amplitude of $\text {sin}^{2}\: \theta<5\times 10^{-4}\: (95\%\: $C.L) at a mass of 0.3 keV. This result improves current laboratory-based bounds in the sterile-neutrino mass range between 0.1 and 1.0 keV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Contrasting stream nitrate and sulfate response to recovery from experimental watershed acidification

Improvements in air quality have led to ecosystem recovery from acidic deposition, but the mechanisms and trajectories of this recovery are not fully understood. Here, we present long-term stream response and recovery data for paired watersheds at the Bear Brook Watershed in Maine (BBWM) during declining ambient SO 4 and NO 3 in precipitation. East Bear (EB) received ambient deposition from 1989 to 2018; West Bear (WB) received artificially elevated N+S from 1989 to 2016. The WB treatment was discontinued after 2016, the beginning of the recovery from both the experimental N+S and ambient decline. Stream SO 4 in WB gradually declined after the treatment ended, from ~147 µeq L -1 in 2010-16 to ~126 µeq L -1 in 2017-18. The declining S inputs induced desorption of SO 4 from soil phase surfaces, with stream loss far exceeding precipitation input. At the current rate of recovery, it will be many decades before the WB stream returns to pre-treatment SO 4 concentrations. In contrast, NO 3 is only weakly adsorbed in soil, and WB stream NO 3 concentrations rapidly declined from ~39 µeq L -1 in 2010-16 to ~5 µeq L -1 in 2017-18, comparable to the N-limited EB stream. The acid anions are strongly coupled to base cation chemistry in streams, and there was a distinct hysteretic response of Ca and Mg to the chronic acidification, as (Ca+Mg) increased rapidly during the initial years, followed by declining values due to depletion of the soil exchange complex. This 30-year monitoring study (1989-2019) provides insights into recovery mechanisms from acidic deposition and highlights the role of abiotic processes in soil that mediate nutrient cycling and retention. Finally, documenting the rapid response of N alongside the slower recovery for S identifies the temporal resolution necessary for other whole-watershed recovery studies.

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

The emergence of macroscopic currents in photoconductive sampling of optical fields

Photoconductive field sampling enables petahertz-domain optoelectronic applications that advance our understanding of light-matter interaction. Despite the growing importance of ultrafast photoconductive measurements, a rigorous model for connecting the microscopic electron dynamics to the macroscopic external signal is lacking. This has caused conflicting interpretations about the origin of macroscopic currents. Here, we present systematic experimental studies on the signal formation in gas-phase photoconductive sampling. Our theoretical model, based on the Ramo–Shockley-theorem, overcomes the previously introduced artificial separation into dipole and current contributions. Extensive numerical particle-in-cell-type simulations permit a quantitative comparison with experimental results and help to identify the roles of electron-neutral scattering and mean-field charge interactions. The results show that the heuristic models utilized so far are valid only in a limited range and are affected by macroscopic effects. Our approach can aid in the design of more sensitive and more efficient photoconductive devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Comprehensive defect suppression in perovskite nanocrystals for high-efficiency light-emitting diodes

Electroluminescence efficiencies of metal halide perovskite nanocrystals (PNCs) are limited by a lack of material strategies that can both suppress the formation of defects and enhance the charge carrier confinement. Here we report a one-dopant alloying strategy that generates smaller, monodisperse colloidal particles (confining electrons and holes, and boosting radiative recombination) with fewer surface defects (reducing non-radiative recombination). Doping of guanidinium into formamidinium lead bromide PNCs yields limited bulk solubility while creating an entropy-stabilized phase in the PNCs and leading to smaller PNCs with more carrier confinement. Further, the extra guanidinium segregates to the surface and stabilizes the undercoordinated sites. Furthermore, a surface-stabilizing 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene was applied as a bromide vacancy healing agent. The result is highly efficient PNC-based light-emitting diodes that have current efficiency of 108 cd A –1 (external quantum efficiency of 23.4%), which rises to 205 cd A –1 (external quantum efficiency of 45.5%) with a hemispherical lens.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Photoelectron spectroscopy with entangled photons; enhanced spectrotemporal resolution

In this theoretical study, we show how photoelectron signals generated by time-energy entangled photon pairs can monitor ultrafast excited state dynamics of molecules with high joint spectral and temporal resolutions, not limited by the Fourier uncertainty of classical light. This technique scales linearly, rather than quadratically, with the pump intensity, allowing the study of fragile biological samples with low photon fluxes. Since the spectral resolution is achieved by electron detection and the temporal resolution by a variable phase delay, this technique does not require scanning the pump frequency and the entanglement times, which significantly simplifies the experimental setup, making it feasible with current instrumentation. Application is made to the photodissociation dynamics of pyrrole calculated by exact nonadiabatic wave packet simulations in a reduced two nuclear coordinate space. This study demonstrates the unique advantages of ultrafast quantum light spectroscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Extinction Imaging Diagnostics for In Situ Quantification of Soot within Explosively Generated Fireballs

Fireballs produced from the detonation of high explosives often contain particulates primarily composed of various phases of carbon soot. The transport and concentration of these particulates is of interest for model validation and emission characterization. Here, this work proposes ultra-high-speed imaging techniques to observe a fireball's structure and optical depth. An extinction-based diagnostic applied at two wavelengths indicates that extinction scales inversely with wavelength, consistent with particles in the Rayleigh limit and dimensionless extinction coefficients which are independent of wavelength. Within current confidence bounds, the extinction-derived soot mass concentrations agree with expectations based upon literature reported soot yields. Results also identify areas of high uncertainty where additional work is recommended.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

CeTaN 3 and CeNbN 3 : Prospective Nitride Perovskites with Optimal Photovoltaic Band Gaps

Perovskites constitute an exceptionally tunable materials family with diverse applications in electronics, optoelectronics, energy, and quantum technologies. Out of the thousands of known perovskites, the majority of compounds are oxides, halides, and chalcogenides. In contrast, only two nitride perovskites are currently known. In this work we perform a thorough ab initio computational screening of possible nitride perovskites, and we identify two new compounds, CeNbN 3 and CeTaN 3 , with band gaps in the near-infrared to visible range, depending on temperature. In their room-temperature orthorhombic phase, we predict that both compounds exhibit direct or quasidirect band gaps in the range 1.1–2.0 eV, with the Pnma phases matching the Shockley–Queisser limit for photovoltaic energy conversion efficiency. Further, these compounds are also predicted to be strong light absorbers, with absorption coefficients surpassing those of high-performance semiconductors such as GaAs and CH 3 NH 3 PbI 3 . The present findings reveal a potentially new class of nitride semiconductors with promise for electronics, optoelectronics, and light harvesting and for integration with existing nitride-based lighting technology.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Perovskite Solar Cells with Enhanced Fill Factors Using Polymer-Capped Solvent Annealing

Despite huge improvements in power conversion efficiencies of perovskite solar cells, the technology is still limited by fill factors at around 80%. In this work, we report perovskite solar cells having exceptionally high fill factors of 85% and enhanced open-circuit voltage without sacrificing short-circuit current through a polymer-capped solvent-annealing process assisted by a hot air blower. Additionally, during the solvent-annealing, the perovskite surface flattens and the perovskite grains agglomerate into micrometer-sized clusters having enlarged α-phase crystallites, while the δ-phase simultaneously disappears. The optimized structure reduces energetic disorder and trap-assisted recombination in the perovskite layer, resulting in an enhanced efficiency from 18.2% to 19.8% and improved device lifetime. Our results provide a pathway to increase the device efficiency and stability of perovskite solar cells, and have the potential to stimulate research on scalable poly-crystal perovskite layer fabrication in optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Minimizing Interfacial Resistance between Polymer Electrolytes and Metal Electrodes Using Applied Current

Reducing the interfacial resistance between different phases in electrochemical systems is crucial for enabling practical applications. In this work, we proposed a process for reducing the interfacial resistance between polymer electrolytes and metal electrodes. Thus far in the literature, the lowest interfacial resistance reported in these systems is 15 Ω·cm2. In this study, assembled and preconditioned symmetric cells with lithium–indium alloy electrodes showed similar values. The current through the cell was increased in steps up to the limiting current. This resulted in a permanent decrease of the interfacial resistance to values as low as 1 Ω·cm2, a value that is comparable to that of optimized lithium-ion batteries. The proposed process is general, and it could be applied to any combination of polymer electrolytes and metal electrodes.

Lee, Jaeyong↗
DOE OSTI2020

Methods and algorithms for computer synthesis of holographic elements to obtain a complex impulse response of optical information processing systems based on modern spatial light modulators

The possibilities of designing optical devices for data processing and imaging based on the manipulation of coherent light beams by means of spatial light modulators (SLMs) are investigated. A review of commercially available SLMs is presented and the limitations of their complex modulation characteristics are analysed. The main problem of using present-day SLMs is the lack of the ability to modulate directly all states within a unit circle in the complex plane. In this regard, the characteristics of current methods for the synthesis of holographic elements are described that implement a given complex impulse response of the optical system and are optimal for using SLMs with purely amplitude, purely phase, and hybrid amplitude – phase modulation. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Dynamical phase transitions in the collisionless pre-thermal states of isolated quantum systems: theory and experiments

Abstract We overview the concept of dynamical phase transitions (DPTs) in isolated quantum systems quenched out of equilibrium. We focus on non-equilibrium transitions characterized by an order parameter, which features qualitatively distinct temporal behavior on the two sides of a certain dynamical critical point. DPTs are currently mostly understood as long-lived prethermal phenomena in a regime where inelastic collisions are incapable to thermalize the system. The latter enables the dynamics to substain phases that explicitly break detailed balance and therefore cannot be encompassed by traditional thermodynamics. Our presentation covers both cold atoms as well as condensed matter systems. We revisit a broad plethora of platforms exhibiting pre-thermal DPTs, which become theoretically tractable in a certain limit, such as for a large number of particles, large number of order parameter components, or large spatial dimension. The systems we explore include, among others, quantum magnets with collective interactions, ϕ 4 quantum field theories, and Fermi–Hubbard models. A section dedicated to experimental explorations of DPTs in condensed matter and AMO systems connects this large variety of theoretical models.

Physics↗
DOE OSTI2024

Recent Progress of JT-60SA Project toward Plasma Operation

Superconducting tokamak JT-60SA plays an essential role in fusion research and development by supporting and complementing ITER project, providing directions to the DEMO design activity and fostering next generation scientists and engineers. Since the incident of the Equilibrium Field coil #1 during the Integrated Commissioning (IC) in March 2021, both EU and JA Implementing agencies (IAs) have examined how to ensure safety operation of JT-60SA by mitigating the risk of possible discharge occurrence inside the cryostat. Based on the experience of the Global Paschen tests, the IAs have established a strategy of risk mitigation measures, which is a combination of (i) reinforcement of insulation, (ii) avoiding unnecessary voltage application to the coil systems and (iii) immediate de-energization of the coils when deteriorated vacuum condition is detected. Thanks to the considerable efforts of the Integrated Project Team (IPT) members, the IC restarted in May 2023. After the confirmation of superconducting state of coil systems (TF, EF and CS), the coil energization test and the plasma operation (OP-1) starts. The first plasma was successfully achieved on 23 October 2023 with a limited value of applied voltage and current to the coils. The plasma configuration control will be also confirmed with low plasma current and low auxiliary heating power conditions. Based on the IO-F4E-QST collaboration, activities of JT-60SA have been shared with the IO and provided an important lesson learned for ITER assembly and commissioning, and will provide an outstanding contribution to fusion research at large. After OP-1, Maintenance & Enhancement phase 1 (M/E-1) starts from January 2024, in which in-vessel components are installed, and heating system and diagnostic system are extensively upgraded to allow high power heating experiment planned in OP-2. In order to make the best use of JT-60SA, newly organized JT-60SA experiment team will refine the research plan in the future high heating power operation phase.

Broader Approach activities↗
DOE OSTI2023

Enhanced Hanford High-Fluoride Waste Glass Property Data Development: Phase 1

This study focused on investigating the effects of fluorine concentration on simulated high-level waste glass properties to eventually establish a fluorine limit (as a single-component or multiple-component constraint) for glass formulations for high-fluoride Hanford wastes. This is a first step to provide data to understand the impacts of changing flowsheets on the mission duration and extent. A test matrix of 20 high-fluoride glasses was generated, and the chemical compositions were measured. The following properties were measured and tested against current model predictions: crystal formation after centerline canister cooling, crystallinity as a function of temperature, density, viscosity, electrical conductivity, toxic leaching characteristics using the toxicity characteristic leach profile (TCLP), product consistency using the product consistency test (PCT), and SO 3 solubility. Overall, current models failed to adequately predict most of the properties, possibly due to differences in compositional space used to generate the models and the current test matrix. Additional work is needed to more accurately assess the impacts of high-fluoride wastes on Hanford processing, including additional data collection over a broader composition region and model development for the key models of interest such as PCT and TCLP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗