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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A novel path to runaway electron mitigation via deuterium injection and current-driven MHD instability

Relativistic electron (RE) beams at high current density (low safety factor, qa) yet very low free-electron density accessed with D2 secondary injection in the DIII-D and JET tokamak are found to exhibit large-scale MHD instabilities that benignly terminate the RE beam. In JET, this technique has enabled termination of MA-level RE currents without measurable first-wall heating. This scenario thus offers an unexpected alternate pathway to achieve RE mitigation without collisional dissipation. Benign termination is explained by two synergistic effects. First, during the MHD-driven RE loss events both experiment and MHD orbit-loss modeling supports a significant increase in the wetted area of the RE loss. Second, as previously identified at JET and DIII-D, the fast kink loss timescale precludes RE beam regeneration and the resulting dangerous conversion of magnetic to RE kinetic energy. During the termination, the RE kinetic energy is lost to the wall, but the current fully transfers to the cold bulk thus enabling benign Ohmic dissipation of the magnetic energy on longer timescales via a conventional current quench. Hydrogenic (D2) secondary injection is found to be the only injected species that enables access to the benign termination. D2 injection: 1) facilitates access to low qa in existing devices (via reduced collisionality & resistivity), 2) minimizes the RE avalanche by ‘purging’ the high-Z atoms from the RE beam, 3) drives recombination of the background plasma, reducing the density and Alfven time, thus accelerating the MHD growth. Furthermore, this phenomenon is found to be accessible when crossing the low qa stability boundary with rising current, falling toroidal field, or contracting minor radius - the latter being the expected scenario for vertically unstable RE beams in ITER. While unexpected, this path scales favorably to fusion-grade tokamaks and offers a novel RE mitigation scenario in principle accessible with the day-one disruption mitigation system (DMS) of ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

sta-imex (scripts to investigate stability of IMEX methods)

Set of Matlab scripts to investigate properties of IMEX time stepping methods. Scripts include discretization of a system of linearized equations. One script plots numerical dispersion against analytical dispersion of the system. Another set of scripts uses the system to break it into stiff and non stiff part to investigate stability of Implicit-Explicit Runge-Kutta methods. Scripts are based on Thuburn, J. and Woollings, T. J., Vertical Discretizations for Compressible Euler Equation Atmospheric Models Giving Optimal Representation of Normal Modes , 2005 and Lock, S.-J. and Wood, N. and Weller, H., Numerical analyses of Runge-Kutta implicit-explicit schemes for horizontally explicit, vertically implicit solutions of atmospheric models, 2014 expanding ideas from these two papers. Scripts are used to develop IMEX schemes. SAND2020-12594 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Guba, Oksana↗
DOE OSTI2020

Controlled Nucleation and Stabilization of Ferroelectric Domain Wall Patterns in Epitaxial (110) Bismuth Ferrite Heterostructures

Ferroelectric domain walls, topological entities separating domains of uniform polarization, are promising candidates as active elements for nanoscale memories. In such applications, controlled nucleation and stabilization of domain walls are critical. In this work, using in situ transmission electron microscopy and phase-field simulations, a controlled nucleation of vertically oriented 109° domain walls in (110)-oriented BiFeO 3 (BFO) thin films is reported. In the switching experiment, reversed domains that are nucleated preferentially at the nanoscale edges of the “crest and sag” pattern-like electrode under external bias subsequently grow into a stable stripe configuration. In addition, when triangular pockets (with an in-plane polarization component) are present, these domain walls are pinned to form stable flux-closure domains. Phase field simulations show that i) field enhancement at the edges of the electrode causes site-specific domain nucleation, and ii) the local electrostatics at the domain walls drives the formation of flux closure domains, thus stabilizing the striped pattern, irrespective of the initial configuration. The results demonstrate how flux closure pinning can be exploited in conjunction with electrode patterning and substrate orientation to achieve a desired topological defect configuration. These insights constitute critical advancements in exploiting domain walls in next generation ferroelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Low-cost, Highly Efficient and Fast Thermally Pressed Scalable Carbon-based Planar Perovskite Solar Cells

This Final Technical Report summarizes work completed under Award Number DEEE0009833, titled "Low-cost, Highly Efficient and Fast Thermally Pressed Scalable Carbon-based Planar Perovskite Solar Cells." The project addressed the central technical problem that carbon-electrode perovskite solar cells (C-PSCs) can reduce electrode costs and improve environmental durability, but they have historically lagged noble-metalcontact devices due to poor carbon/perovskite contact, high carbon-electrode resistance, imperfect hole extraction, and insufficient operational stability. The Statement of Project Objectives (SOPO), therefore, required systematic engineering of thermally pressed carbon-based planar perovskite solar cells by improving the carbon/perovskite interface quality, improving carbon-electrode conductivity, and further increasing device stability. The work advanced understanding of carbon-based perovskite photovoltaics by connecting device performance to three coupled mechanisms: interfacial recombination at the perovskite/hole-transport-layer/carbon stack; lateral and vertical transport losses in carbon contacts; and instability driven by moisture, heat, illumination, ion migration, and slow/variable manufacturing steps.

14 SOLAR ENERGY↗
DOE OSTI2023

Disruption event characterization and forecasting in tokamaks

Disruption prediction and avoidance is a critical need for next-step tokamaks, such as ITER. Disruption Event Characterization and Forecasting (DECAF) research fully automates analysis of tokamak data to determine chains of events that lead to disruptions and to forecast their evolution allowing sufficient time for mitigation or complete avoidance of the disruption. Disruption event chains related to local rotating or global magnetohydrodynamic (MHD) modes and vertical instability are examined with warnings issued for many off-normal physics events, including density limits, plasma dynamics, confinement transitions, and profile variations. Along with Greenwald density limit evaluation, a local radiative island power balance theory is evaluated and compared to the observation of island growth. Automated decomposition and analysis of rotating tearing modes produce physical event chains leading to disruptions. A total MHD state warning model comprised of 15 separate criteria produces a disruption forecast about 180 ms before a standard locked mode detector warning. Single DECAF event analyses have begun on KSTAR, MAST, and NSTX/-U databases with thousands of shot seconds of device operation using from 0.5 to 1 × 10 6 tested sample times per device. An initial multi-device database comparison illustrates a highly important result that plasma disruptivity does not need to increase as βN increases. Global MHD instabilities, such as resistive wall modes (RWMs), can give the briefest time period of warning before disruption compared to other physics events. In an NSTX database with unstable RWMs, the mode onset, loss of boundary and current control, and disruption event warnings are found in all cases and vertical displacement events are found in 91% of cases. An initial time-dependent reduced physics model of kinetic RWM stabilization created to forecast the disruption chain predicts instability 84% of the time for experimentally unstable cases with a relatively low false positive rate. Instances of the disruption event chain analysis illustrate dynamics including H–L back transitions for rotating MHD and global RWM triggering events. Furthermore, disruption warnings are issued with sufficient time before the disruption (on transport timescales) to potentially allow active profile control for disruption avoidance, active mode control, or mitigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations

Conducting a comprehensive molecular-level evaluation of a photoacid generator (PAG) and its subsequent impact on lithography performance can facilitate the rational design of a promising 193 nm photoresist tailored to specific requirements. In this study, we integrated spectroscopy and computational techniques to meticulously investigate the pivotal factors of three prototypical PAG anions, p-toluenesulfonate (pTS - ), 2-(trifluoromethyl)benzene-1-sulfonate (TFMBS - ), and triflate (TF - ), in the lithography process. Our findings reveal a significant redshift in the absorption spectra caused by specific PAG anions, attributed to their involvement in electronic transition processes, thereby enhancing the transparency of the standard PAG cation, triphenylsulfonium (TPS + ), particularly at ~193 nm. Furthermore, the electronic stability of PAG anions can be enhanced by solvent effects with varying degrees of strength. Here we observed the lowest vertical detachment energy of 6.6 eV of pTS - in PGMEA solution based on the polarizable continuum model, which prevents anion loss at 193 nm lithography. In addition, our findings indicate gas-phase proton affinity values of 316.4 kcal/mol for pTS - , 308.1 kcal/mol for TFMBS - , and 303.2 kcal/mol for TF - , which suggest the increasing acidity strength, yet even the weakest acid pTS - is still stronger than strong acid HBr. The photolysis of TPS + -based PAG, TPS + ·pTS - , generated an excited state leading to homolysis bond cleavage with the lowest reaction energy of 83 kcal/mol. Overall, the PAG anion pTS - displayed moderate acidity, possessed the lowest photolysis reaction energy, and demonstrated an appropriate redshift. These properties collectively render it a promising candidate for an effective acid producer.

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

Crystal Growth Scale-Up and Stability of RbSr 2 X 5 :Eu Scintillators

The discovery and development of new scintillation materials support national security needs. In these applications, large volumes of scintillator crystals are needed to achieve efficient screening for contraband. Therefore, one important step in the discovery of new scintillator compositions is testing their feasibility for scale-up and their stability. In this work, high-quality Ø22 mm crystals of two new scintillators RbSr 2 Br 5 :Eu and RbSr 2 I 5 :Eu were grown via the Vertical Bridgman method, and their scintillation properties were characterized. Here, the Ø22 mm RbSr 2 I 5 :Eu crystals could be grown with fast translation rates up to 3.5 mm/h. Both RbSr 2 Br 5 :Eu and RbSr 2 I 5 :Eu had high scintillation performance, including light yields of 46,000 and 61,000 ph/MeV, respectively, for Ø22 × 35 mm crystals. Additionally, properties related to physical stability were investigated, including the coefficients of thermal expansion via high-temperature X-ray diffraction (HTXRD) as well as moisture sensitivity. HTXRD confirmed the absence of solid–solid phase transitions and showed that RbSr 2 Br 5 had minimal thermal expansion anisotropy compared to RbSr 2 I 5 and some other inorganic metal halide scintillators, which favors the growth of large-sized crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unraveling the Crystallization Kinetics of 2D Perovskites with Sandwich-Type Structure for High-Performance Photovoltaics

2D perovskite solar cells with high stability and high efficiency have attracted significant attention. A systematical static and dynamic structure investigation is carried out to show the details of 2D morphology evolution. A dual additive approach is used, where the synergy between an alkali metal cation and a polar solvent leads to high-quality 2D perovskite films with sandwich-type structures and vertical phase segregation. Such novel structure can induce high-quality 2D slab growth and reduce internal and surface defects, resulting in a high device efficiency of 16.48% with enhanced continuous illumination stability and improved moisture (55-60%) and thermal (85°C) tolerances. Transient absorption spectra reveal the carrier migration from low n to high n species with different kinetics. An [PbI 6 ] 4- octagon coalescence transformation mechanism coupled with metal and organic cations wrapped is proposed. By solvent vapor annealing, a recrystallization and reorientation of the 2D perovskite slabs occurs to form an ideal structure with improved device performance and stability.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Multiscale Simulation Study of the Effects of Nantucket Island on Atmospheric Boundary Layer Flow

Multiscale atmospheric simulations were conducted to investigate how Nantucket Island modifies the marine atmospheric boundary layer (ABL) flow, how the mechanisms responsible are represented in mesoscale versus large-eddy simulation (LES) domains, and potential impacts on wind energy production downstream, in moderate and high wind speed cases. Here, to isolate the effects of the island, each case study was simulated (i) with and without island topography included and (ii) with observed versus spatially uniform sea surface temperature (SST) values, the latter removing the influence of spatial variability in SST, while also enabling the examination of how the island effects vary with near-surface thermodynamic stability over the surrounding ocean. Island effects were found to be strongest during daytime heating, which generates convective rolls that redistribute momentum vertically over the island and downstream. Colder SSTs and weaker winds strengthen these rolls and extend their influence. Flow statistics within a representative wind turbine rotor-swept area downstream show that while vertical momentum redistribution enhances near-surface wind speeds, those aloft decrease, resulting in minimal net change to rotor-equivalent wind speed and slightly reduced vertical shear. Comparisons of mesoscale and LES domains reveal that both capture the roughness-driven near-surface slowdown, but mesoscale models underestimate vertical momentum transport compared to LES, which explicitly resolves convective rolls. Increasing LES resolution beyond the grid spacing required to begin capturing the largest convective roll structures ∼ O(100) m yields minimal additional momentum transport but increases resolved turbulence kinetic energy, relevant for stress loading.

Atmosphere-land interaction↗
DOE OSTI2021

Gravitomagnetic vorticity generation in black hole accretion discs: a potential spatial constraint on plasma flow stability

We calculate the vorticity generation rate in the accretion disc near a slowly rotating black hole in the low-velocity, weak-field limit of general relativity. Specifically, we find that the frame-dragging effect due to the black hole’s rotation – manifested through the gravitomagnetic field – can generate vorticity in a moving plasma in the accretion disc. The mechanism remains operational as long as the accretion disc has non-negligible vertical height and is independent of the exact thermodynamical profile of the disc. The enstrophy density generation rate, as a measure of turbulence and dissipation, is presented, which indicates that the frame-dragging effect can disrupt the stability of the disc away from the z = 0 plane.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Estimating turbulent energy flux vertical profiles from uncrewed aircraft system measurements: exemplary results for the MOSAiC campaign

This study analyzes turbulent energy fluxes in the Arctic atmospheric boundary layer (ABL) using measurements with a small uncrewed aircraft system (sUAS). Turbulent fluxes constitute a major part of the atmospheric energy budget and influence the surface heat balance by distributing energy vertically in the atmosphere. However, only few in situ measurements of the vertical profile of turbulent fluxes in the Arctic ABL exist. The study presents a method to derive turbulent heat fluxes from DataHawk2 sUAS turbulence measurements, based on the flux gradient method with a parameterization of the turbulent exchange coefficient. This parameterization is derived from high-resolution horizontal wind speed measurements in combination with formulations for the turbulent Prandtl number and anisotropy depending on stability. Measurements were taken during the MOSAiC (Multidisciplinary drifting Observatory for the Study of Arctic Climate) expedition in the Arctic sea ice during the melt season of 2020. For three example cases from this campaign, vertical profiles of turbulence parameters and turbulent heat fluxes are presented and compared to balloon-borne, radar, and near-surface measurements. The combination of all measurements draws a consistent picture of ABL conditions and demonstrates the unique potential of the presented method for studying turbulent exchange processes in the vertical ABL profile with sUAS measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

USc 2 C 2 and USc 2 NC Clusters with U–C Triple Bond Character Stabilized Inside Fullerene Cages

The chemistry of f-block metal–carbon multiple bonds is underdeveloped compared to well-established carbene complexes of the d-block transition metals. Herein, we report two new actinide-rare earth mixed metal carbides and nitrogen carbide cluster fullerenes, USc 2 C 2 @D 5h (6)-C 80 and USc 2 NC@D 5h (6)-C 80 , which contain U–C bonds with triple bond character and were successfully synthesized and characterized by mass spectrometry, UV–vis–NIR spectroscopy, Fourier transform infrared spectroscopy, single crystal X-ray diffraction, and DFT calculations. Crystallographic studies show that the two previously unreported clusters, USc 2 C 2 and USc 2 NC, are stabilized in the D 5h (6)-C 80 carbon cage and adopt unique trifoliate configurations, in which C 2 /NC units are almost vertically inserted into the plane defined by the U and two Sc atoms. Combined experimental and theoretical studies further reveal the bonding structure of USc 2 C 2 and USc 2 NC, which contain C=U(VI)=C and C=U(V)=N bonding motifs. The electronic structures of the two compounds are determined as U 6+ (Sc 2 ) 6+ (C 4– ) 2 @D 5h (6)-C 80 4– and U 5+ (Sc 2 ) 6+ (N) 3– (C) 4– @D 5h (6)-C 80 4– , respectively. Quantum-chemical studies confirm that the U–C bonds in both molecules show unprecedented multicenter triple-bond character. Furthermore, the discovery of this unique U–C multiple bond offers a deeper understanding of the fundamentals of uranium chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Flexible tape-drive target system for secondary high-intensity laser-driven sources

Here, we present the development of a flexible tape-drive target system to generate and control secondary high-intensity laser-plasma sources. Its adjustable design permits the generation of relativistic MeV particles and x rays at high-intensity (i.e., ≥1 × 10 18 W cm —2 ) laser facilities, at high repetition rates (>1 Hz). The compact and robust structure shows good mechanical stability and a high target placement accuracy (<4 μm RMS). Its compact and flexible design allows for mounting in both the horizontal and vertical planes, which makes it practical for use in cluttered laser-plasma experimental setups. The design permits ~170° of access on the laser-driver side and 120° of diagnostic access at the rear. A range of adapted apertures have been designed and tested to be easily implemented to the targetry system. The design and performance testing of the tape-drive system in the context of two experiments performed at the COMET laser facility at the Lawrence Livermore National Laboratory and at the Advanced Lasers and Extreme Photonics (ALEPH) facility at Colorado State University are discussed. Experimental data showing that the designed prototype is also able to both generate and focus high-intensity laser-driven protons at high repetition rates are also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

RCEMIP‐ACI: Aerosol‐Cloud Interactions in a Multimodel Ensemble of Radiative‐Convective Equilibrium Simulations

Aerosol‐cloud interactions are a persistent source of uncertainty in climate research. This study presents findings from a model intercomparison project examining the impact of aerosols on clouds and climate in convection‐permitting radiative‐convective equilibrium (RCE) simulations. Specifically, 11 different modeling teams conducted RCE simulations under varying aerosol concentrations, domain configurations, and sea surface temperatures (SSTs). We analyze the response of domain‐mean cloud and radiative properties to imposed aerosol concentrations across different SSTs. Additionally, we explore the potential impact of aerosols on convective aggregation and large‐scale circulation in large‐domain simulations. The results reveal that the cloud and radiative responses to aerosols vary substantially across models. However, a common trend across models, SSTs, and domain configurations is that increased aerosol loading tends to suppress warm rain formation, enhance cloud water content in the mid‐troposphere, and consequently increase mid‐tropospheric humidity and upper‐tropospheric temperature, thereby impacting static stability. The warming of the upper troposphere can be attributed to reduced lateral entrainment effects due to the higher environmental humidity in the mid‐troposphere. However, models do not agree on aerosol impacts on convective updraft velocity based on the preliminary examination of high‐percentiles of vertical velocity at a single mid‐troposheric layer (500 hPa). In large‐domain simulations, where convection tends to self‐organize, aerosol loading does not consistently influence self‐organization but tends to reduce the intensity of large‐scale circulation forming between convective clusters and dry regions. This reduction in circulation intensity can be explained by the increase in static stability due to the upper tropospheric warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

High mass loading potassium ion stabilized manganese dioxide nanowire forests for rechargeable Zn batteries

Manganese dioxide (MnO 2 ) represents an ideal cathode material for rechargeable aqueous Zn batteries due to its high theoretical capacity (308 mAh g -1 ), suitable potential (1.4 V vs. Zn 2+ /Zn), natural abundance, and negligible toxicity. However, the capacity and rate capability of MnO 2 deteriorate significantly in thick electrodes owing to its low electrical and ionic conductivities. Herein, we report the design of high mass loading potassium ion stabilized α-MnO 2 (K 0.133 MnO 2 ) nanowire forests on carbon cloth through a seed-assisted hydrothermal method for Zn batteries. Further, the vertically aligned K 0.133 MnO 2 nanowire forests with uninterrupted charge transport afford a high area capacity of 3.54 mAh cm -2 and a capacity retention of 79.2% over 1000 cycles in aqueous electrolyte. Moreover, the high area capacity and cyclability can be readily transferred to quasi-solid-state devices.

25 ENERGY STORAGE↗
DOE OSTI2020

Kinetic versus Thermodynamic Stability of LLZO in Contact with Lithium Metal

Li 7 La 3 Zr 2 O 12 (LLZO) garnet-based oxides are a promising class of solid electrolytes used as the separator in all-solid-state batteries (ASSBs). While LLZO is considered to have a wide electrochemical stability window, its intrinsic stability in contact with lithium metal is not sufficiently well understood, and there is still a debate on the key question of whether LLZO does or does not form passivation layers before and during cycling. Utilizing both in situ and operando X-ray photoelectron spectroscopy techniques, in this work we reveal the presence of a kinetic barrier to the reduction of LLZO by Li metal, with the extent of oxygen-deficient interphase (ODI) formation depending sensitively on the energetics of Li metal arriving at the Li vertical bar LLZO interface. Despite the clear presence of a kinetic barrier to reduction, the electrochemical response of the Li vertical bar LLZO interface is unchanged by the presence of the ODI, indicating that ODI formation during electrochemical cycling does not hinder charge transfer across the Li vertical bar LLZO interface. Overall, these results reveal that the reactivity of LLZO with Li metal depends not only on the material properties of the adjoining phases (i.e., surface purity and active contact) and their resulting thermodynamic stability but also on the energy input at the interface and the resulting reaction kinetics. Furthermore, the presence of a kinetic barrier to reduction highlights the additional complexities governing the reactivity of solid-state interfaces in ASSBs and underscores the importance of operando characterization of interfacial stability to design more robust, high-performance protection strategies for solid electrolytes in contact with reactive electrodes.

25 ENERGY STORAGE↗
DOE OSTI2022

Aerosols consistently suppress the convective boundary layer development

Aerosols with different vertical distribution and various optical properties induce diverse heating rates and thereby affecting convective boundary layer (CBL) development. Our results showed consistent CBL-suppression of aerosols during daytime with numerical experiments, in which aerosols were specified at different heights with synthesized single scattering albedo from 64 studies and asymmetry factor from 20 studies globally. Absorbing aerosols concentrated below but close to the CBL top had the strongest suppression effect on CBL development relative to that concentrated near surface or above CBL. Aerosol cooling effect by attenuating incident solar radiation and surface heat flux exceeded its warming effect by reheating the atmosphere layer with absorbed shortwave radiation, and eventually declined net heating rate, which inhibited CBL development, lowered mixed-layer potential temperature and stabilized atmospheric stratification. Stove effect of absorbing aerosols (CBL enhancement) under a zero background aerosol extinction coefficient is negligible for dominant dome effect (CBL suppression) which consistently suppresses CBL development regardless of aerosol vertical height and background aerosol extinction coefficient. Our study also highlighted the importance of specifying background aerosol extinction coefficient in numerical experiments for accurate assessment of aerosol radiative forcing and CBL-aerosol interactions.

54 ENVIRONMENTAL SCIENCES↗