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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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NASA NTRS1991

Potential vorticity index

Based on the European Center For Medium Range Weather Forecasting (ECMWF) First Global Atmospheric Research Program Global Experiment (FGGE) IIIb data set in the 1978 to 1979 winter, a potential vorticity (PV) index was defined as a measure of the zonally averaged, mid-latitude PV gradient on the 300 K isentropic surface in the Northern Hemisphere. The evolution of that index and its relation to teleconnection patterns of 500 mb geopotential height anomaly are studied. The results of the temporal and spatial variation of blocking and cyclogenesis in the 1978 to 1979 winter and its relation to global and local PV gradients were obtained. Complex empirical orthogonal function (EOF) analyses were performed, using the same FGGE data set for the 1978 to 1979 winter, for a representative high latitude band and mid latitude band geopotential height anomalies at 500 mb, phi sub h, phi sub m, and PV gradient at 300 K, delta(Q), at each longitude for the three month period. The focus of current research is the following: (1) to perform Fourier analyses for the first three EOF's of phi sub h, phi sub m, and delta(Q) at given latitude bands, and to find the dominant wavenumbers and frequencies which are responsible for these EOF's; (2) to compare the results from EOF and Fourier analyses which will be used to explore the relations of blocking and cyclogensis with local and global PV gradients; and (3) to study the time dependence of the local PV gradients and relate it to the PV index vacillation cycles observed in the PV index cycle.

Barcilon, Albert↗
DOE OSTI2023

Compensating attenuation effects in full-waveform inversion with dissipation-dispersion decoupling

Seismic attenuation poses challenges to velocity model building from acoustic/elastic full-waveform inversion (FWI). In particular, when constructing the FWI gradient for velocity inversion, recent studies have indicated that the high-attenuation structure could distort the gradient by damping the amplitudes and shifting the kinematic phases, resulting in an imbalanced update and thus unreliable velocity model. These Q effects are particularly significant in the reflection acquisition geometry due to the “double-damping” issue. Here, we develop a Q-compensated FWI algorithm for constructing a Q-free FWI gradient. By using a recently developed viscoacoustic wave propagator, this compensation can be done conveniently by keeping the dispersion term and flipping the dissipation term in the wave equation when we simulate the forward and time-reversed adjoint wavefields. The resultant gradient obtained by interacting these two wavefields has correct kinematics and Q-free amplitudes. This Q-compensated FWI can balance the update between Q- and no- Q-areas, which we determine using synthetic examples. In addition, we illustrate how to take advantage of the dissipation-dispersion decoupling to determine the anomalous Q value in the Q model building workflow via Q-compensated reverse time migration.

Geochemistry & Geophysics↗
DOE OSTI2021

The Role of Oxygen Concentration in Enabling High Gradients in Niobium SRF Cavities

We studied the role of O concentration with depth in the performance of Nb SRF cavities. An ensemble of electropolished 1.3 GHz cavities, which initially showed high field Q-slope (HFQS), was subjected to sequential testing and treatment with in-situ low temperature baking at various temperatures. We find that increasing the bake duration causes (i) an increase in the onset of HFQS until it is absent up to quench (ii) a non-monotonic relationship with the quench field (iii) an evolution of the RBCS toward a non-equilibrium behavior that drives anti-Q slope. Our data is qualitatively explained by assuming an O diffusion model and suggests that the mitigation of HFQS that arises from 120 C in-situ LTB is mediated by the diffusion of O from the native oxide which prevents the precipitation of proximity-coupled Nb nano-hydrides, in turn enabling higher quench fields. The decrease in quench field for cavities in which O has been diffused >90 nm from the RF surface may be due to a reduction of the field limit in the SS bilayer structure. We also suggest that the evolution of the RBCS occurs due to the absence of proximity coupled inclusions, bringing about non-equilibrium effects.

Bafia, D.↗
DOE OSTI2026

Uncovering the linear boron environment in Na 3 BP 2 through solid-state 11 B NMR spectroscopy

Boron-based compounds exhibit a wide range of structural diversity, with potential applications spanning organic and inorganic chemistry. Herein, we focus on the characterization of the linear boron-phosphorus unit P═B═P in Na 3 BP 2 using solid-state nuclear magnetic resonance (ssNMR) spectroscopy and density functional theory (DFT) calculations. High-resolution 11 B ssNMR spectra were recorded at two fields, and key parameters such as chemical shift anisotropy (CSA), quadrupolar coupling constants (C Q ), and electric field gradient (EFG) tensors were extracted. The 11 B NMR results revealed a distinct chemical environment for the two-coordinate boron atom, with a CSA span (Ω) of 280 ppm and a C Q of 3.0 MHz. These values were further validated through periodic plane-wave DFT calculations, which showed good agreement with experimental results. The obtained spectral parameters are compared to other linear boron units, such as the BO 2 motif, providing a broader context for understanding boron coordination in inorganic compounds. This work expands the body of NMR knowledge on boron-containing materials, particularly for linear boron motifs. The findings contribute to the growing field of boron chemistry and its potential applications in advanced materials.

Porter, Andrew P. [Ames Laboratory (AMES), Ames, I↗
DOE OSTI2026

Achievement of a high-density, high-confinement, and high-beta tokamak plasma regime in DIII-D, and implications for a lower-current path for ITER and FPP

Experiments on DIII-D have demonstrated a density-confinement synergy that enables sustainment of high performance in a previously unattained parameter regime of simultaneous very high energy confinement quality (H 98y2 ≥ 1.5), very high line-average density Greenwald fraction (ƒ Gr = πa 2 < n >/I P ≥ 1.4), and high toroidal beta (β T ≥ 3%). Tokamak operation in this regime is essential for a compact steady-state FPP, as well as for Q=10 with 500 MW of fusion power in ITER at I P << 15 MA. These experiments leveraged the knowledge that, in the high-poloidal-beta (β P ) regime, impurity and density gradients can enhance turbulence stabilization caused by high α MHD (α MHD ~(dβ P )⁄dr). This was described by theoretical predictions and gyrokinetic transport simulations [M.T. Kotschenreuther et al, 2024 Nucl. Fusion, 64 076033], and later confirmed by experiments on DIII-D [S. Ding et al, 2024 Nature 629 555]. To increase both β P and β T , the new experiments increased the ideal-wall stability β N -limit by using a smaller plasma-outer wall distance and higher triangularity in the plasma cross section (top/bottom average δ~0.9), enabled by the recent “shape & volume rise” (SVR) modification to the DIII-D divertor. The higher triangularity also contributed to achieving higher ƒ Gr by enabling higher pedestal density. At high density, the pedestal is ballooning limited and exhibits small and frequent ELMs, while the divertor is near detachment even without any impurity seeding. High plasma performance was attained and sustained reproducibly, with the eventual terminations brought about by an MHD mode destabilized as the current profile slowly continued to evolve. A path to stationary fully noninductive operation might include ECH injection to reduce both core impurity accumulation and the electron collisionality, thus increasing the bootstrap current. These experiments provide the first experimental demonstration of the ƒ Gr , H 98y2 , and β T values required simultaneously for ITER Q = 10 at I P < 10 MA, pointing to practical ways to improve the energy confinement in a fusion reactor.

Garofalo, Andrea M. [General Atomics, San Diego, C↗
DOE OSTI2025

Understanding the formation of a low-pressure pedestal in the presence of a strong internal transport barrier in DIII-D high β p plasmas

As a promising scenario for fusion reactors, the high poloidal-beta (β P ) scenario is characterized by a strong large radius internal transport barrier (ITB), which significantly enhances the overall confinement quality and the bootstrap current fraction for fully non-inductive operation. It is frequently observed that in the presence of a strong ITB, the pedestal height is lower and is accompanied by small edge localized modes (ELMs), which further improves the compatibility of a high performance core with an edge solution. A mechanism for the formation of the low pedestal is proposed in this paper. It is found that the strong ITB creates an off-axis bootstrap current to clamp the local safety factor q, and thus the magnetic shear in the outer core/pedestal region is increased. Gyrokinetic simulations with the CGYRO code show that the higher magnetic shear brings the experimental profiles into the range where the growth rate of drift-wave instabilities and thus transport is higher, and therefore a lower pedestal gradient is expected. Here, the combination of low pedestal and high magnetic shear further enhances the turbulent transport across the whole pedestal, consistent with power balance analysis. Such a positive feedback mechanism ultimately results in a lower pressure pedestal as observed in experiments. Under such a low pedestal, linear simulations with BOUT++ predict the growth rates of peeling–ballooning modes to be lower across the whole toroidal mode number spectra, and the nonlinear BOUT++ simulation exhibits lower saturated fluctuation intensity as well, consistent with the experimentally observed lower ELM size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Edge-localized mode mitigation enabled by active control of pedestal density gradient with new EAST tokamak divertor

Mitigation of large edge-localized modes (ELMs) has been achieved by actively reducing the pedestal density gradient with the EAST new right-angled lower divertor through changing the strike point position from the vertical target to the horizontal target. A series of dedicated experiments in the 2021–2024 EAST campaigns demonstrate that this ELM control solution is highly reproducible in a broad parameter space of edge safety factor q 95 = 4.7–7.1, heating power P total = 2.3–5 MW, and pedestal collisionality $ν_{e,ped}^{*}$ = 1–6, under both favorable and unfavorable magnetic configurations. Higher plasma density could facilitate the achievement of this ELM control solution. Statistical results indicate that the ELM mitigation effect can be observed at relatively larger Greenwald density fraction of f GW > 0.47. In addition, this ELM mitigation effect can be achieved with both lithium-coated and boronized metal walls. The pedestal density gradient is systematically lower in the horizontal target case than that of the vertical target case when the ELM mitigation effect can be observed. SOLPS-ITER simulation results indicate that the pedestal fueling from divertor recycling is significantly lower in the horizontal target case. This could contribute to the formation of a flattened pedestal density profile with small ELMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Physics-Informed Deep Learning-Based Proof-of-Concept Study of a Novel Elastohydrodynamic Seal for Supercritical CO 2 Turbomachinery

Supercritical carbon dioxide (sCO 2 ) power cycles show promising potential of higher plant efficiencies and power densities for a wide range of power generation applications such as fossil fuel power plants, nuclear power production, solar power, and geothermal power generation. sCO 2 leakage through the turbomachinery has been one of the main concerns in such applications. To offer a potential solution, we propose an elastohydrodynamic (EHD) seal that can work at elevated pressures and temperatures with low leakage and minimal wear. The EHD seal has a very simple, sleeve-like structure, wrapping on the rotor with minimal initial clearance at micron levels. Here, in this work, a proof-of-concept study for the proposed EHD seal was presented by using the simplified Reynolds equation and Lame’s formula for the fluid flow in the clearance and for seal deformation, respectively. The set of nonlinear equations was solved by using both the conventional Prediction–Correction (PC) method and modern Physics-Informed Neural Network (PINN). It was shown that the physics-informed deep learning method provided good computational efficiency in resolving the steep pressure gradient in the clearance with good accuracy. The results showed that the leakage rates increased quadratically with working pressures and reached a steady-state at high-pressure values of 15~20 MPa, where Q = 300 g/s at 20 MPa for an initial seal clearance of 255 μm. This indicates that the EHD seal could be tailored to become a potential solution to minimize the sCO 2 discharge in power plants.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Convergent ab initio analysis of the multi-channel HOBr + H reaction

High-level potential energy surfaces for three reactions of hypobromous acid with atomic hydrogen were computed at the CCSDTQ/CBS//CCSDT(Q)/complete basis set level of theory. Focal point analysis was utilized to extrapolate energies and gradients for energetics and optimizations, respectively. The H attack at Br and subsequent Br–O cleavage were found to proceed barrierlessly. The slightly submerged transition state lies −0.2 kcal mol−1 lower in energy than the reactants and produces OH and HBr. The two other studied reaction paths are the radical substitution to produce H2O and Br with a 4.0 kcal mol−1 barrier and the abstraction at hydrogen to produce BrO and H2 with an 11.2 kcal mol−1 barrier. The final product energies lie −37.2, −67.9, and −7.3 kcal mol−1 lower in energy than reactants, HOBr + H, for the sets of products OH + HBr, H2O + Br, and H2 + BrO, respectively. Additive corrections computed for the final energetics, particularly the zero-point vibrational energies and spin–orbit corrections, significantly impacted the final stationary point energies, with corrections up to 6.2 kcal mol−1.

Chemistry↗
DOE OSTI2022

Physical mechanisms for the transition from type-III to large ELMs induced by impurity injection on EAST

Transition from type-III to large-amplitude ELMs induced by neon injection has been observed in the EAST tokamak at overlapping q 95 space between large and small ELMs. With neon injection, pedestal density gradient shows a remarkable increase accompanied by some decrease of pedestal electron temperature, and consequently the pressure gradient increases moderately and edge bootstrap current has minimal change. Further experiment demonstrates that the occurrence of large ELMs after neon injection is highly correlated with the change in edge density. Linear peeling-ballooning stability analysis indicates that the large ELM case is more unstable than the type-III ELM case during the ELM transition. A scan of pedestal density gradient in linear stability analysis shows that the direct destabilizing effect of steep pedestal density gradient on peeling-ballooning instabilities via two-fluid effects could also facilitate the transition to large ELMs. In conclusion, these results could provide more insight into the role of pedestal density gradient on pedestal stability and ELM behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Q-factor optimization for high-beta 650 MHz cavities for PIP-II

High Q-factors are of utmost importance to minimize losses of superconducting radio-frequency cavities deployed in continuous wave particle accelerators. This study elucidates the surface treatment that can maximize the Q-factors in high-beta 650 MHz elliptical niobium cavities. State-of-the-art surface treatments are applied in many single-cell cavities, and surface resistance studies are performed to understand the microwave dissipation at this unexplored frequency. The nitrogen doping treatment is confirmed to be necessary to maximize the Q-factors at medium RF fields. We applied this treatment in five-cell high-beta 650 MHz cavities and demonstrated that extremely high Q-factors were obtained at medium RF fields with this treatment. We also demonstrated that adding a cold electropolishing step after N-doping is crucial to push the quench field of multicell cavities to higher gradients.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Field, frequency, and temperature dependencies of the surface resistance of nitrogen diffused niobium superconducting radio frequency cavities

We investigate the rf performance of several single-cell superconducting radio-frequency cavities subjected to low temperature heat treatment in nitrogen environment. The cavities were treated at temperature 120 – 165 ° C for an extended period of time (24–48 h) either in high vacuum or in a low partial pressure of ultrapure nitrogen. The improvement in Q 0 with a Q rise was observed when nitrogen gas was injected at ∼ 300 ° C during the cavity cooldown from 800 ° C and held at 165 ° C , without any degradation in accelerating gradient over the baseline performance. The treatment was applied to several elliptical cavities with frequency ranging from 0.75 to 3.0 GHz, showing an improved quality factor as a result of low temperature nitrogen treatments. The Q rise feature is similar to that achieved by nitrogen alloying Nb cavities at higher temperature, followed by material removal by electropolishing. The surface modification was confirmed by the change in electronic mean free path and tuned with the temperature and duration of heat treatment. The decrease of the temperature-dependent surface resistance with increasing rf field, resulting in a Q rise, becomes stronger with increasing frequency and decreasing temperature. The data suggest a crossover frequency of ∼ 0.95 GHz above that the Q rise phenomenon occurs at 2 K. Some of these results can be explained qualitatively with an existing model of intrinsic field-dependence of the surface resistance with both equilibrium and nonequilibrium quasiparticle distribution functions. The change in the Q slope below 0.95 GHz may result from masking contribution of trapped magnetic flux to the residual surface resistance. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
NASA NTRS1998

A New View of the Dynamics of Reynolds Stress Generation in Turbulent Boundary Layers

The structure of a numerically simulated turbulent boundary layer over a flat plate at Re(theta) = 670 was studied using the invariants of the velocity gradient tensor (Q and R) and a related scalar quantity, the cubic discriminant (D = 27R(exp 2)/4 + Q(exp 3)). These invariants have previously been used to study the properties of the small-scale motions responsible for the dissipation of turbulent kinetic energy. In addition, these scalar quantities allow the local flow patterns to be unambiguously classified according to the terminology proposed by Chong et al. The use of the discriminant as a marker of coherent motions reveals complex, large-scale flow structures that are shown to be associated with the generation of Reynolds shear stress -u'v'(bar). These motions are characterized by high spatial gradients of the discriminant and are believed to be an important part of the mechanism that sustains turbulence in the near-wall region.

Cantwell, Brian J.↗
DOE OSTI2024

Towards the first high-Q treatments for 800 MHz 5-cell elliptical cavities

High-efficiency, high-velocity, sub-GHz elliptical superconducting RF cavities are a critical enabling technology for multiple upcoming accelerator development projects such as for the Powerful Energy Recovery Linac for Experiments (PERLE), and for the Future Circular Collider s (FCC) Booster, and future realizations of its Collider ring. The ambitious quality factor and gradient requirements of these applications require strong SRF R&D programs aimed at developing and optimizing advanced surface processing techniques for 800 MHz cavities. We report the initiation of the 800 MHz R&D program at Fermilab, with the aim of developing high-performance cavities compatible with PERLE and FCC applications.

McGee, K.↗
NASA NTRS2016

James Webb Space Telescope Integrated Science Instrument Module Thermal Vacuum Thermal Balance Test Campaign at NASA's Goddard Space Flight Center

The James Webb Space Telescope is a large infrared telescope with a 6.5-meter primary mirror, designed as a successor to the Hubble Space Telescope when launched in 2018. Three of the four science instruments contained within the Integrated Science Instrument Module (ISIM) are passively cooled to their operational temperature range of 36K to 40K with radiators, and the fourth instrument is actively cooled to its operational temperature of approximately 6K. Thermal-vacuum testing of the flight science instruments at the ISIM element level has taken place in three separate highly challenging and extremely complex thermal tests within a gaseous helium-cooled shroud inside Goddard Space Flight Centers Space Environment Simulator. Special data acquisition software was developed for these tests to monitor over 1700 flight and test sensor measurements, track over 50 gradients, component rates, and temperature limits in real time against defined constraints and limitations, and guide the complex transition from ambient to final cryogenic temperatures and back. This extremely flexible system has proven highly successful in safeguarding the nearly $2B science payload during the 3.5-month-long thermal tests. Heat flow measurement instrumentation, or Q-meters, were also specially developed for these tests. These devices provide thermal boundaries o the flight hardware while measuring instrument heat loads up to 600 mW with an estimated uncertainty of 2 mW in test, enabling accurate thermal model correlation, hardware design validation, and workmanship verification. The high accuracy heat load measurements provided first evidence of a potentially serious hardware design issue that was subsequently corrected. This paper provides an overview of the ISIM-level thermal-vacuum tests and thermal objectives; explains the thermal test configuration and thermal balances; describes special measurement instrumentation and monitoring and control software; presents key test thermal results; lists problems encountered during testing and lessons learned.

JWST ISIM Thermal↗
DOE OSTI2024

Leveraging Additive Manufacturing to Fabricate High Temperature Alloys With Co-Designed Mechanical Properties and Environmental Resistance

A paradigm shift in the traditional sequential design approaches is critically essential to create application-specific hierarchical and multifunctional materials with superior long-term performance for next-generation energy technologies involving extreme environments. In the current work, we aim to leverage the flexibility and geometric/compositional complexity offered by additive manufacturing to demonstrate this new approach by codesigning a compositionally graded Ni-based alloy for molten salts\sCO 2 heat exchangers to enable mitigation of environmental degradation of surfaces exposed to molten halide salts, while simultaneously suppressing the consequent deterioration in mechanical stability. Further, thermokinetic modeling describing the underlying physics of thermally- and environmentally induced spatiotemporal compositional and microstructural evolution will be employed to predict the parameter space of material deposition processes and precisely identify the required composition gradient. Preliminary corrosion and mechanical testing of the dual material demonstrated the potential of the material to replace existing solid solution strengthened materials for this application.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Measuring axion gradients with photon interferometry

We propose a novel search technique for axions with a C P -violating monopole coupling g ˜ Q to bulk Standard Model charges Q ∈ { B , L , B − L } . Gradients in the static axion field configurations sourced by matter induce achromatic circular photon birefringence via the axion-photon coupling g ϕ γ . Circularly polarized light fed into an optical or (open) radio-frequency (RF) Fabry-Pérot (FP) cavity develops a phase shift that accumulates up to the cavity finesse: the fixed axion spatial gradient prevents a cancellation known to occur for an axion dark-matter search. The relative phase shift between two FP cavities fed with opposite circular polarizations can be detected interferometrically. This time-independent signal can be modulated up to nonzero frequency by altering the cavity orientations with respect to the field gradient. Multiwavelength co-metrology techniques can be used to address chromatic measurement systematics and noise sources. With Earth as the axion source, we project reach beyond current constraints on the product of couplings g ˜ Q g ϕ γ for axion masses m ϕ ≲ 10 − 5 eV . If shot-noise-limited sensitivity can be achieved, an experiment using high-finesse RF FP cavities could reach a factor of ∼ 10 5 into new parameter space for g ˜ Q g ϕ γ for masses m ϕ ≲ 4 × 10 − 11 eV . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1999

Effective Thermal Conductivity of High Temperature Insulations for Reusable Launch Vehicles

An experimental apparatus was designed to measure the effective thermal conductivity of various high temperature insulations subject to large temperature gradients representative of typical launch vehicle re-entry aerodynamic heating conditions. The insulation sample cold side was maintained around room temperature, while the hot side was heated to temperatures as high as 1800 degrees Fahrenheit. The environmental pressure was varied from 0.0001 to 760 torr. All the measurements were performed in a dry gaseous nitrogen environment. The effective thermal conductivity of Saffil, Q-Fiber felt, Cerachrome, and three multi-layer insulation configurations were measured.

Daryabeigi, Kamran↗