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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 OSTI2020

Growth and characterization of homoepitaxial β-Ga 2 O 3 layers

ß-Ga 2 O 3 is a next-generation ultra-wide bandgap semiconductor (E g = 4.8 eV to 4.9 eV) that can be homoepitaxially grown on commercial substrates, enabling next-generation power electronic devices among other important applications. Analyzing the quality of deposited homoepitaxial layers used in such devices is challenging, in part due to the large probing depth in traditional x-ray diffraction (XRD) and also due to the surface-sensitive nature of atomic force microscopy (AFM). Here, a combination of evanescent grazing-incidence skew asymmetric XRD and AFM are investigated as an approach to effectively characterize the quality of homoepitaxial ß-Ga 2 O 3 layers grown by molecular beam epitaxy at a variety of Ga/O flux ratios. Accounting for both structure and morphology, optimal films are achieved at a Ga/O ratio of ~1.15, a conclusion that would not be possible to achieve by either XRD or AFM methods alone. Finally, fabricated Schottky barrier diodes with thicker homoepitaxial layers are characterized by J-V and C-V measurements, revealing an unintentional doping density of 4.3×10 16 cm -3 - 2×10 17 cm -3 in the epilayer. These results demonstrate the importance of complementary measurement methods for improving the quality of the ß-Ga 2 O 3 homoepitaxial layers used in power electronic and other devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigating the effect of B T direction on W source-to-core pathways during the SAS-VW campaign on DIII-D

Experiments using the V-shaped closed slot tungsten (W) coated SAS-VW divertor in DIII-D studied the effects of the BT direction on core contamination of eroded tungsten from a closed slot divertor configuration. Core W content is inferred using soft-X ray tomography (SXR) and vacuum ultraviolet spectroscopy (SPRED), while W divertor erosion is inferred from visible spectroscopy of W emission (400.9 nm) measured by in-slot filterscopes (filtered photo-multipliers). Post-mortem analysis from the campaign discovered tile misalignment leading to suspected pronounced leading-edge erosion in the unfavorable BT direction (ion B ⃗×∇B ⃗ drift away from divertor) likely not captured by diagnostics. However, empirical findings show up to ~2-3x larger core contamination in the favorable BT direction even considering no additional W erosion from leading edges. A “source-to-core efficiency factor” is derived to estimate the effects of leading-edge erosion and compare W contamination for two pairs of H-mode discharges in opposite BT directions. While having differing absolute parameters, similar core impurity density gradients suggest comparable core impurity transport. These results show that favorable BT may have stronger source-to-core pathways for W impurities sourced from the outer divertor region. Possible explanations could include the effects of E ⃗×B ⃗ drifts on W transport in the scrape-off-layer (SOL) as well as previously determined fast SOL inner target directed flows in favorable BT.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Elucidating Mass Transport Regimes in Gas Diffusion Electrodes for CO 2 Electroreduction

Gas diffusion electrodes (GDEs) have shown promising performance for the electrochemical reduction of CO 2 (CO 2 R). In this study, a resolved, pore scale model of electrochemical reduction of CO 2 within a liquid-filled catalyst layer is developed. Three CO 2 mass transport regimes are identified in which the CO 2 penetration depth is controlled by CO 2 consumption in the electrolyte, CO 2 conversion along the solid-electrolyte double-phase boundaries (DPBs), and CO 2 conversion concentrated around the gas–solid–electrolyte triple-phase boundaries (TPBs). While it is possible for CO 2 R to be localized around the TPBs, in systems with submicron pore radii operating at <1 A cm –2 CO 2 R will be distributed across the DPBs within the catalyst layer. This validates the assumption of pore-scale uniformity implicit in popular, volume-averaged GDE models. Overall, the CO 2 conversion efficiency depends strongly on the governing mass transport regime, and operational-phase diagrams are constructed to guide the catalyst layer design.

10 SYNTHETIC FUELS↗
DOE OSTI2021

Generalized Toeplitz–Hankel matrices and their application to a layered electron gas

We extend the standard result for the eigenspectrum of the Toeplitz matrix C ij = e –κ|i–j| with 0 ≤ i,j ≤ N and κ ϵ C to a combination of a Toeplitz matrix and a Hankel matrix. We apply this result to find the plasma modes of a layered assembly of a 2-dimensional electron gas. We find a sum rule relating the geometric mean of the frequencies of the plasma modes to the determinant of this Toeplitz matrix, for which an analytical expression is obtained. Here, we apply the same technique to the generalized case when the layers are not evenly spaced, where the corresponding matrix is not a Toeplitz-Hankel combination. Despite this fact, it is possible to find properties of the eigenspectrum, and the eigenmodes are localized to a few layers instead of extending across the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Prediction of divertor heat flux width for ITER pre-fusion power operation using BOUT++ transport code

Prediction of divertor heat flux width is performed for the first and the second pre-fusion power operation (PFPO) phases specified in the new ITER research plan using BOUT++ transport code (Li et al 2018 Comput. Phys. Commun.228 69–82). Here the initial plasma profiles inside the separatrix are taken from CORSICA scenario studies. Transport coefficients in transport code are calculated by inverting the plasma profiles inside the separatrix and are assumed to be constants in the scrape-off-layer. An anomalous thermal diffusivity scan is performed with E × B and magnetic drifts. The results in two scenarios identifying two distinct regimes: a drift-dominant regime when diffusivity is smaller than the respective critical thermal diffusivity χ c and a turbulence-dominant regime when diffusivity is larger than it. The Goldston heuristic drift model and the ITPA multi-machine experimental scaling yield a lower limit of the width λ q . From transport simulations, we obtain the critical thermal diffusivity χ c = 0.5 m 2 s –1 for the PFPO-1 scenario with toroidal magnetic field B = 1.77 T and plasma current I p = 5 MA, and χ c = 0.3 m 2 s –1 for the PFPO-2 scenario with toroidal magnetic field B = 2.65 T and plasma current I p = 7.5 MA. Separatrix temperature and collisionality also have a significant impact on the heat flux width in the drift-dominant regime. The investigation clearly yields a scaling for critical thermal diffusivity ${\chi }_{\text{c}}\propto {A}^{1/2}/(Z{\left(1+Z\right)}^{\frac{1}{2}}{B}_{\text{p}}^{2})$ using ITER scenarios with fixed safety factor q 95 , major radius R, aspect ratio R/a, and the separatrix temperature T sep , and establishes the connection with CFETR and C-Mod discharges. This scaling implies that for a given tokamak device with q 95 , R, R/a, and T sep fixed, a reduction of poloidal magnetic field by a factor of 3 leads to a 9 times higher critical value of thermal diffusivity χ c , possibly yielding a transition from turbulence- to drift-dominant regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Extending the low-recycling, flat temperature profile regime in the lithium tokamak experiment-β (LTX-β) with ohmic and neutral beam heating

Abstract Recent experiments in the lithium tokamak experiment- β (LTX- β ) have extended the duration, performance, operating conditions, and diagnosis of the flat-temperature profile, low-recycling regime first observed in LTX. As expected, Li retains hydrogen and suppresses edge neutral cooling, allowing increased edge electron temperature, roughly equal to the core T e . Flat temperature profiles had been obtained transiently in LTX, as the plasma density decayed following the cessation of edge gas puffing. Careful control over the fueling in LTX- β has now been shown to sustain the flat T e profile and hot edge unique to the low-recycling regime for multiple confinement times in high performance discharges with decaying or steady density. With low density, the flat T e profile is also seen to extend into the scrape-off layer. Neutral beam heating is observed in target discharges with relatively flat electron temperature profiles ( T edge ∼ T core /2), though beam heating is stronger in discharges with higher fueling, higher density, and depressed edge T e . Beam heating produces additional peaking of the T e profile, without degradation of the energy confinement time. Neutral beam heating of target discharges with relatively flat electron temperature profiles similarly results in broad beam heated temperature profiles. Energy confinement in LTX- β generally compares favorably to ohmic and H-mode scalings, frequently exceeding them by factors of 2–4. New and improved diagnostics in LTX- β enable better characterization of this unique regime, including measurements of ion temperature and high field side Thomson scattering profiles. As an initial step toward characterizing turbulence with no T e gradient and roughly equal density and pressure gradient, core fluctuation spectra have been measured in peaked T e discharges using far-forward scattering and fluctuation reflectometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Photon detection probability prediction using one-dimensional generative neural network

Abstract Photon detection is important for liquid argon detectors for direct dark matter searches or neutrino property measurements. Precise simulation of photon transport is widely used to understand the probability of photon detection in liquid argon detectors. Traditional photon transport simulation, which tracks every photon using the Geant4 simulation toolkit, is a major computational challenge for kilo-tonne-scale liquid argon detectors and GeV-level energy depositions. In this work, we propose a one-dimensional generative model which efficiently generates features using an O u t e r P r o d u c t -layer. This model bypasses photon transport simulation and predicts the number of photons detected by particular photon detectors at the same level of detail as the Geant4 simulation. The application to simulating photon detection systems in kilo-tonne-scale liquid argon detectors demonstrates this novel generative model is able to reproduce Geant4 simulation with good accuracy and 20 to 50 times faster. This generative model can be used to quickly predict photon detection probability in huge liquid argon detectors like ProtoDUNE or DUNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A large-eddy simulation exploration of the assumptions used in retrieving entrainment from a mixing diagram approach with ground-based remote sensors

Entrainment is a crucial component of the atmospheric boundary layer (BL) moisture and heat budget. While usually thought of as only entrainment flux, entrainment within the mixed layer budget equation is really composed of two terms: the flux of a property across the boundary separating the BL from the free troposphere and the change in the concentration of a property as the depth of the BL changes. In a recent study, Wakefield et al. (2023) used ground-based remote-sensing observations to estimate entrainment flux as the residual of a mixing diagram framework that was applied to the daytime convective boundary layer. This present work uses large-eddy simulation (LES) to examine how well this residual assumption for entrainment fluxes alone compares to the actual sum of those two entrainment terms derived from spatial averages of the LES output. We highlight the importance of the second entrainment term in closing the mixed layer budget and show that the residual assumption does not represent entrainment flux only but rather a total entrainment term when the boundary layer depth is changing.

Rosenberger, Tessa E. [Cleveland State Univ., Clev↗
DOE OSTI2021

Changes in precipitation and air temperature contribute comparably to permafrost degradation in a warmer climate

Abstract Surface energy budgets of high-latitude permafrost systems are poorly represented in Earth system models (ESMs), yet permafrost is rapidly degrading and these dynamics are critical to future carbon-climate feedback predictions. A potentially important factor in permafrost degradation neglected so far by ESMs is heat transfer from precipitation, although increases in soil temperature and thaw depth have been observed following increases in precipitation. Using observations and a mechanistic ecosystem model, we show here that increases in precipitation hasten active layer development beyond that caused by surface air warming across the North Slope of Alaska (NSA) under recent and 21st century climate (RCP8.5). Modeled active layer depth (ALD) in simulations that allow precipitation heat transfer agreed very well with observations from 28 Circumpolar Active Layer Monitoring sites (R 2 = 0.63; RMSE = 10 cm). Simulations that ignored precipitation heat transfer resulted in lower spatially-averaged soil temperatures and a 39 cm shallower ALD by 2100 across the NSA. The results from our sensitivity analysis show that projected increases in 21st century precipitation deepen the active layer by enhancing precipitation heat transfer and ground thermal conductivity, suggesting that precipitation is as important an environmental control on permafrost degradation as surface air temperature. We conclude that ESMs that do not account for precipitation heat transfer likely underestimate ALD rates of change, and thus likely predict biased ecosystem responses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Using ARM Data to Retrieve Entrainment Rates in Stratocumulus Cloud Systems (Final Report)

A stratocumulus-topped boundary layer (STBL) is a shallow convecting layer in which both the updraft and the downdraft branches of the convective circulation are saturated (cloudy) in the upper part of the boundary layer. The convective circulation is vigorous, yet the cloud-top entrainment velocity, $w_e$, is small and difficult to measure. Differences between currently used parameterizations of $w_e$ in GCMs can lead to STBLs that differ by as much as a factor of two in climatologically important properties such as liquid water path and boundary layer depth. We have developed a new method to retrieve entrainment rates in STBLs which uses vertical velocity retrievals from surface-based cloud radar, in conjunction with other surface-based measurements. These new estimates will allow a more comprehensive evaluation of parameterizations of entrainment rate for STBLs. The new method will also provide ground-based estimates of entrainment in STBLs over long time periods. We use retrievals of vertical velocity and liquid water content profiles to estimate the turbulent liquid water flux, which is then used in combination with observed cloud-top jumps of temperature, water vapor, and calculated radiative flux profiles to estimate the entrainment rate. We present results for three days for which observational data was not significantly contaminated by drizzle. The resulting average entrainment rates are 0.58 cm/s, 1.51 cm/s, and 0.31 cm/s.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Optimizing Insulation Design for Transformers in Medium Voltage Power Conversion Systems

Medium-frequency transformers (MFTs) play a crucial role in medium-voltage (MV) solidstate transformer (SST) systems, particularly in extreme fast charging applications. Achieving partial discharge (PD)-free operation while maintaining high power density is a significant challenge due to the high electric field (E-field) stresses inherent in MV applications. This dissertation focuses on the insulation design and optimization of MFTs used in both the main power electronics circuits and auxiliary power supplies. The study begins with an overview of insulation testing methodologies, including high potential tests, basic insulation level tests, and PD tests, which are critical for evaluating MFT insulation reliability. Given the importance of PD-free operation for long-term reliability, particular emphasis is placed on understanding PD mechanisms, including void, corona, and surface discharge, and their mitigation strategies. A high voltage isolated auxiliary power supply is then introduced, utilizing a gapped transformer encapsulated in silicone gel. This design achieves PD-free insulation up to 18 kV RMS while maintaining low coupling capacitance to minimize common-mode current. The proposed solution ensures reliable operation in MV environments and offers a scalable approach for auxiliary power in cascaded SST architectures. To improve MFT insulation in main power conversion circuits, a novel structure is developed using polypropylene sheets and potting compounds to create a void-free air gap, effectively mitigating E-field intensity. A prototype transformer with this insulation structure is built and achieves PD-free operation up to 30 kV RMS. This design is experimentally validated in a resonant converter operating at 46 kW, demonstrating its feasibility for MV SST applications. Further optimization is implemented to enhance MFT performance for dual-active-bridge(DAB) converters by integrating a semiconductive shielding layer within the insulation structure. This shielding layer improves the magnetic coupling coefficient while effectively confining the E-field within high insulation materials, thereby reducing eddy current losses. The optimized MFT achieves PD-free operation at 12.6 kV RMS and is successfully tested in a DAB converter operating at 43 kW, which meets the insulation requirements for a 13.2 kV SST system. This dissertation advances MFT insulation design by introducing and experimentally validating novel approaches that improve high voltage insulation while optimizing magnetic coupling and manufacturability. The proposed insulation structures enable PD-free operation while minimizing insulation material usage and simplifying assembly, making them ideal for high power, high voltage applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

First-principles comparative study of Cr migration in O3 and O/P hybrid-phased NaCrO 2

In layered Na transition-metal (TM) oxides, TM migration usually occurs at highly charged states and severely deteriorates the capacity and reversibility. Meanwhile, the formation of hybrid phases with the intergrowth of octahedral (O-type) and prismatic (P-type) Na layers also takes place at highly charged states. These hybrid phases are often more stable than simple O3 or P3 stackings. However, little is known about the mechanism and impact of TM migration in these hybrid phases. In this work, a comparative first-principles study is performed to understand the connections between structural changes and Cr migration in layered O3 and hybrid-phased NaCrO 2 . After Cr migration, the hybrid-phased NaCrO 2 suffers from greater layer shrinkage than the O3 phase. Three factors affect the Cr migration energy E mig : the Na concentration, local 3D configurations, and 2D in-plane geometries. Low Na concentrations and certain local 3D configurations facilitate the Cr migration. The Cr migration barriers in both O3 and hybrid-phased NaCrO 2 are positively correlated with the Cr E mig . The Cr migration in 17 doped O3 and hybrid-phased NaCrO 2 is surveyed. In these doped NaCrO 2 , a more uniform distribution of the Cr–O bond lengths usually suggests suppressed Cr migration. Optimal dopants for suppressing Cr migration are identified by considering E mig for both Cr and the dopant. Finally, our comparative study on Cr migration in O3 and hybrid-phased NaCrO 2 reveals the significant role of hybrid-phased structures in the development of layered cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Understanding the E balance for water management in hydroxide exchange membrane fuel cells

As a key challenge for hydroxide exchange membrane fuel cells (HEMFCs), understanding water management deeply is critical for performance and durability improvement. Here, in this work, we show that the balance between water generation and phase-change-induced (PCI) flow is the main factor controlling cell voltage over a wide range of conditions where the cells are vulnerable to severe flooding. The regulation of flooding by heat generation can be reflected by a stable voltage with increase of current density in the polarization curve. This PCI balance voltage (E balance ), which determines the shape of polarization curve, is modeled as a function of cell operating conditions and gas diffusion layer (GDL) properties. Temperature, pressure, and thermal conductivity of GDL were found important for tuning the level of E balance , both in HEMFCs and proton exchange membrane fuel cells. The understanding of E balance will help to generate strategies for resolving flooding in HEMFCs, and it offers a new perspective for polarization curve interpretation.

25 ENERGY STORAGE↗
DOE OSTI2020

Organic-Inorganic Reaction of Li-Containing thin film: Structure of Lithium Propane Dioxide via MLD

In combining organometallic with organic precursors, molecular layer deposition (MLD) offers not only an expanded portfolio of molecular combinations but specifically the possibility of tuning mechanical properties for more robust functionality. This is appealing for applications in energy storage, where ion transport in and out of electrodes causes significant stress/strain cycling. It is particularly opportune for Li-ion solid state batteries (LISSBs), where electrode and solid electrolyte structures are usually arranged densely for high power and energy. Despite diverse MLD applications to date, little prior research has been aimed at Li-containing MLD materials and processes. Here, we report the MLD growth and process for a lithium-containing organic thin film using lithium tert-butoxide (LiO t Bu) and 1,3-propanediol, leading to an MLD film of lithium propane dioxide, Li 2 O 2 C 3 H 6 (LPDO), identified through X-ray photoelectron spectroscopy (XPS) and ab initio calculations. The growth showed self-limiting behavior for both precursors, with significant nucleation delay before linear growth at 0.23 Å/cycle at 150 °C, and 0.15 Å/cycle at 200 °C. XPS-determined stoichiometry was Li 1.6 O 2.2 C 3 H 6 at both 150 and 200 °C, while additional species, presumably from incomplete reaction, were found at 100 °C, leading to a notably higher (0.84 Å/cycle) growth rate. The LPDO film showed crystallinity and high surface roughness when grown on the crystalline substrate, while on the amorphous substrate, an amorphous LPDO film with low surface roughness was observed. In addition, high air sensitivity of LPDO film was observed, with Li propyl carbonate and Li carbonate formation under air exposure. Further modification strategies were proposed in order to achieve a MLD or atomic layer deposition-/MLD-based solid electrolyte material.

25 ENERGY STORAGE↗
DOE OSTI2022

Simulated effect of edge plasma density parameters on lower hybrid wave scattering in EAST

The incorporation of lower hybrid (LH) wave spectrum broadening in the poloidal wavenumber (⁠k θ ) space at the last close field surface (LCFS) is reported to lead to better agreement of the modeled LH wave current profile with the experimental results [Baek et al., Nucl. Fusion 61, 106034 (2021)]. To further understand its underlying mechanism and find the possible influence factors, effects of wave scattering caused by drift-wave type density fluctuation on the probability distribution of the LH wave polar refractive index (⁠N θ ) at the LCFS are studied under density parameters in the scrape-off-layer. According to a scattering model [P. T. Bonoli and E. Ott, Phys Fluids 25(2), 359–375 (1982)], scattering probability and scattering angle distribution are two main factors that determine the degree of spectral broadening. Studies presented here show that the total scattering probability increases first and then decreases as the wave propagates toward a smaller normalized radius of poloidal magnetic flux (⁠ρ⁠). The degree of spectral broadening is found to depend on the density and density fluctuation together by changing the intensity and a proportion of the geometrical optics approximation term and the E×B drift term in the scattering model. Additionally, the fluctuation correlation length can significantly modify the probability distribution of N θ at the LCFS, which is found to significantly change the LH wave current profile.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Preparing Lamellae from Vitreous Biological Samples using a Dual-Beam Scanning Electron Microscope for Cryo-Electron Tomography

Presented here is a protocol for preparing cryo-lamellae from plunge-frozen grids of Plasmodium falciparum-infected human erythrocytes, which could easily be adapted for other biological samples. The basic principles for preparing samples, milling, and viewing lamellae are common to all instruments and the protocol can be followed as a general guide to on-grid cryo-lamella preparation for cryo-electron microscopy (cryoEM) and cryo-electron tomography (cryoET). Electron microscopy grids supporting the cells are plunge-frozen into liquid nitrogen-cooled liquid ethane using a manual or automated plunge freezer, then screened on a light microscope equipped with a cryo-stage. Frozen grids are transferred into a cryo-scanning electron microscope equipped with a focused ion beam (cryoFIB-SEM). Grids are routinely sputter coated prior to milling, which aids dispersal of charge build-up during milling. Alternatively, an e-beam rotary coater can be used to apply a layer of carbon-platinum to the grids, the exact thickness of which can be more precisely controlled. Once inside the cryoFIB-SEM an additional coating of an organoplatinum compound is applied to the surface of the grid via a gas injection system (GIS). This layer protects the front edge of the lamella as it is milled, the integrity of which is critical for achieving uniformly thin lamellae. Regions of interest are identified via SEM and milling is carried out in a step-wise fashion, reducing the current of the ion beam as the lamella reaches electron transparency, in order to avoid excessive heat generation. A grid with multiple lamellae is then transferred to a transmission electron microscope (TEM) under cryogenic conditions for tilt-series acquisition. A robust and contamination-free workflow for lamella preparation is an essential step for downstream techniques, including cellular cryoEM, cryoET, and sub-tomogram averaging. Development of these techniques, especially for lift-out and milling of high-pressure frozen samples, is of high-priority in the field.

59 BASIC BIOLOGICAL SCIENCES↗