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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Establishing the Stability of Cross-Linked Poly(ethylene oxide) Blended with Poly(pentyl malonate) against Lithium Metal Anodes

This work focuses on an electrolyte obtained by infusing linear poly(pentyl malonate) (PPM) chains into cross-linked poly(ethylene oxide) (PEO). A lithium salt is added to enable ion transport. Obtaining this electrolyte is only possible because PPM is miscible with PEO irrespective of salt concentration. The properties of this electrolyte are compared against two benchmarks: an electrolyte obtained by infusing linear PEO into cross-linked PEO and cross-linked PEO with no added linear polymer. Measurements of storage moduli and ion transport efficacies are found to be similar across the three electrolytes, suggesting similar stability behavior against lithium metal anodes, based on current theoretical models. Instead, the PPM infused electrolyte outperforms the other two electrolytes. In the cycling tests, the current supported by the PPM infused electrolyte was a factor of 20 higher than that of the PEO infused electrolyte and a factor of 4 higher than that of the cross-linked PEO electrolyte. In the unidirectional plating experiments, the other two electrolytes fail after about 4 h or less, while the PPM containing electrolyte did not fail during the 140 h testing period. Insight into the nature of failure modes was obtained using synchrotron hard X-ray microtomography.

Gido, Lily [University of California, Berkeley]↗
DOE OSTI2026

The role of focusing geometry in MeV x-ray production from petawatt laser–solid interaction

Relativistic laser–plasma interactions provide a compact and flexible route to generating bright, ultrashort pulses of MeV x rays, with applications in high-energy density science, nuclear physics, and radiography. Despite extensive study of intensity scaling in laser-driven electron acceleration, the role of focusing geometry and focal-volume effects in MeV radiation production remains insufficiently understood. Here, we present experimental and kinetic simulation results from the Texas Petawatt Laser (120 J, 140 fs) in which the focusing geometry (f/3 or f/1.5) is varied, while the laser energy and pulse duration are fixed. Experimentally, the f/3 geometry produces approximately three times more MeV radiation than the f/1.5 geometry, despite its twofold lower nominal vacuum intensity. This result is based on the time-integrated radiation per unit solid angle, as measured along the diagnostic line of sight. Three-dimensional particle-in-cell simulations reproduce this trend when a modest (10s of μm) effective focal plane shift is introduced, demonstrating that relativistic laser–plasma coupling is highly sensitive to focal geometry in the presence of a preplasma. This behavior is consistent with differences in interaction length and effective intensity at the critical surface between the two configurations. The sensitivity of the tightly focused f/1.5 configuration ($z_R ≈$⁠ 5 μ m) reflects the combined influence of thermal lensing and an extended preplasma, while the f/3 geometry (⁠$z_R ≈$ 80 μ m) remains comparatively robust. These results demonstrate a breakdown of conventional intensity scaling and identify focusing geometry as a critical control parameter for MeV electron and x-ray generation at petawatt powers. Implications for laser–plasma-based radiographic facilities are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Correlating Surface Processing of Nb Superconducting RF Cavities with the Evolution of Surface Electronic States

Superconducting-radio frequency (RF) cavities provide an efficient way to accelerate particle beams with extremely high acceleration gradients while generating very small power dissipation. The few nanometers of the surface play a critical role in defining the RF performance of superconducting Nb based cavities. Over the past two decades, several pioneering surface treatment and processing methods have emerged, enabling remarkable improvements in superconducting cavity performance by simultaneously achieving high quality factors with increasing maximum acceleration gradients. These processing approaches include chemical polishing, distinct multi-step thermal treatments under ultra-high vacuum (UHV) conditions over low to high temperature regimes, as well as high-temperature treatments under controlled nitrogen atmospheres. Beyond their macroscopic impact on RF performance, these methods produce distinct surface oxide configurations characterized by different valence states, oxide thicknesses, chemical uniformity, and oxygen concentration profiles extending into the near-surface bulk of niobium. In this work, we are trying to understand how the surface-processing methods and the resulting oxide/oxygen profiles affect the electronic structure of surface and the mechanism of superconductivity. Using a combination of X-ray photoemission and X-ray absorption spectroscopies, we investigate how the valence-band structure and the electronic density of states (DoS) near the Fermi level evolve under different surface treatments. By employing tunable photon energies across multiple elemental absorption edges, we use resonant photoemission to disentangle and identify the elemental contributions to specific valence-band features. Our observations show that different surface-processing methods lead to distinct temperature evolutions of the DoS and valence-band states near the Fermi level. Our results suggest variations in different Nb-O orbital hybridizations in distinct processes and point towards the possibility of different underlying mechanisms of superconductivity governed by surface chemistry and oxide configuration. We also correlate these distinct superconducting mechanisms with RF cavity performance, specifically focusing on measured surface resistance, the nature of the Q-slope, and quench fields observed in superconducting RF measurements. These results will enable us to identify the potential limiting factors and relevant controllable parameters that can be further optimized to improve the performance of superconducting RF cavities.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

Temperature-dependent dielectric function of tantalum nitride formed by atomic layer deposition for tunnel barriers in Josephson junctions

Here, we report the dielectric functions of insulating tantalum nitride (TaN) films deposited by atomic layer deposition (ALD) on 300 mm Si/SiO 2 substrates to evaluate their suitability as tunnel barriers in tantalum-based Josephson junctions (JJs) for superconducting quantum circuits. Temperature-dependent ellipsometric angles were measured for ALD TaN films with nominal thicknesses of 13 and 25 nm at an incidence angle of 70°, over photon energy ranges of 0.03–0.7 eV (80–300 K) and 0.5–6.5 eV (80–600 K). These data were used to develop a dispersion model for insulating ALD TaN that incorporates a Tauc–Lorentz oscillator with an optical bandgap of 1.5–1.8 eV to describe interband transitions. The extracted dielectric function shows insulating behavior (mid-infrared transparency) at all temperatures and for both film thicknesses tested. In particular, ALD TaN does not exhibit infrared absorption due to free carriers, even at elevated temperatures, consistent with the insulating behavior required for a JJ tunnel barrier. Results from transmission electron microscopy (including selected area electron diffraction) and x-ray diffraction are also discussed. Sputter depth-profile x-ray photoelectron spectroscopy shows an N/Ta ratio of ∼1.2 throughout the film. The lower bandgap, low roughness, and thermal stability of ALD TaN compared to AlO x suggest the possibility of fabricating JJs with thicker barriers while achieving critical current densities required for qubits, enabling improved thickness and composition control, reduced topography, and resistance to aging.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multiscale Cryo Electron Microscopy Reveals Interfacial Degradation and Stabilization in Battery Electrodes

Electrochemical interfaces are dynamic systems, evolving based on their local environment and reactant surface structures. The electrode-electrolyte interface in Li-ion batteries can be protective, limiting parasitic reactions with the electrolyte to passivate the surface [1]. Additionally, this interphase has an impact on the Li-ion transport through that layer based on its composition, bonding environment, and thickness. These parameters are challenging to collect and may vary depending on the electrode surface site investigated relative to its spatial position in a coin cell. This study will detail a multiscale cryogenic electron microscopy approach where millimeter-scale cross-sections through the coin cell batteries were made using a cryogenic stage within a fs-laser plasma focused ion beam (laser PFIB) with complementary energy dispersive X-ray spectroscopy able to detect variations in the composition at electrode interfaces [2]. Microscale cross-sectioning and lamella sample preparation of battery electrodes was conducted at the Center for Integrated Nanotechnologies using a Ga-ion focused ion beam (FIB) with air-free and cryo-transfer [3], followed by nanoscale mapping of composition and bonding within the CEI through cryo-scanning transmission electron microscopy (cryo-STEM) electron energy loss spectroscopy [4]. This multiscale approach enabled identification of millimeter-scale features of a battery stack with visualization of degradation in electrodes such as cracks in cathode particles, gas evolution, and SEI evolution; microscale interfacial characteristics, such as heterogeneity in the SEI or barrier layer and identification of electrolyte networks to the electrode surfaces; and nanoscale measurement of the CEI thickness, mapping of transition metal bonding within the cathode particles to identify loss of active materials, and identification of beneficial electrolyte additives incorporated into the CEI structure. This multiscale approach allows for a statistical understanding of the primary mechanisms and parasitic degradation pathways that impact performance by limiting the ion transport pathways within Li+ batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Cleavage at the nsp5–nsp6 site of SARS-CoV-2 main protease intermediate precursor is faster from a monomer than a dimer form

Our previous studies of severe acute respiratory syndrome coronavirus 2 main protease (MPro) precursor monomer indicate that the initial N-terminal nonstructural protein (nsp)4/nsp5 cleavage occurs intramolecularly, with a small fraction of the active site loop equilibrium being in the active state. To understand the influence of dimer formation of MPro upon N-terminal cleavage on the subsequent C-terminal nsp5/nsp6 intermolecular cleavage kinetics, the stepwise processing of a monomeric, inactive precursor containing the native terminal cleavage sites of MPro (MBP- (−6) MPro C145A(+3) -GB1-6H, 86.2 kDa) by mature WT MPro (MPro WT ) was investigated. Differential scanning fluorimetry and analytical ultracentrifugation measurements of various MPro constructs suggest that the C145A mutation decreases the dimer dissociation constant (K dimer ) by ∼26-fold, relative to WT C145 and H41A. The monomeric precursor’s nsp4–nsp5 site appears to saturate MProWT’s active sites and cleave faster, followed by a slower first-order cleavage at the C-terminal site. No detectable product resulting from the C-terminal cleavage is observed until most of the N-terminal cleavage is complete. The initial intermediate product (termed MPro C145A-IP ) is a homodimer with an estimated K dimer of <0.05 μM. In contrast, the first-order kinetics observed for the cleavage of the monomeric form of the intermediate product is at least 300 times faster than that of the dimer form. Room-temperature X-ray structure of the MPro C145A-IP –ensitrelvir complex is like that of the MPro WT –ensitrelvir complex and reveals a dynamic C-terminal region including MPro residues 302 to 306. These results are interpreted from the point of view of a mechanism in which nsp5–nsp6 cleavage may occur from a monomeric intermediate, and dimer formation restricts this cleavage.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Electron-Deficient Phenazines: Synthesis, Structures, Redox, and Optoelectronic Properties in the Gas Phase, in Solution, and in the Solid State

High-temperature gas-phase reactions of 1,4-C4F8I2 with phenazine (PHNZ) afforded new thermally- and air-stable derivatives with cyclo-C4F8 substituents, viz. 1,2-PHNZ(C4F8), 2,3-PHNZ(C4F8), 1,2:6,7-PHNZ(C4F8)2, 1,2:7,8-PHNZ(C4F8)2, and 1,2:8,9-PHNZ(C4F8)2. Reactions in the presence of Cu powder resulted in reductive-defluorination/aromatization of some of the cyclo-C4F8 substituents to produce 2,3-PHNZ(C4F4), 2,3-PHNZ(C4HF3), and 1,2:6,7-PHNZ(C4F8)(C4F4), which are formally tri- or tetrafluoro derivatives of benzo[a]phenazine. Single-crystal X-ray diffraction structures of these compounds demonstrate the planarity of 2,3-PHNZ(C4F4) and 2,3-PHNZ(C4HF3) and ordered p-stacking in 1,2-PHNZ(C4HF3), 1,2-PHNZ(C4F4), 1,2-PHNZ(C4F8), and 2,3-PHNZ(C4F8). Low-temperature gas-phase photoelectron spectra of the PHNZ(C4F8)1,2 compounds show that they are strong electron acceptors, with the three PHNZ(C4F8)2 isomers having electron affinities exceeding that of C60. Cyclic voltammetry in acetonitrile show that the five PHNZ(C4F8)1,2 compounds exhibit reversible one-electron reductions with large positive shifts in their reduction potentials relative to unsubstituted PHNZ. Spectroelectrochemical absorption and EPR spectra of PHNZ(C4F8)1,2- • anion radicals and extensive DFT calculations revealed the significant role that the different substitution patterns have on determining the optoelectronic properties of the PHNZ(C4F8)1,2 derivatives and PHNZ(C4F8)1,2- • anion radicals. Time-resolved microwave conductivity measurements and photoluminescence spectra of blends of the PHNZ(C4F8)1,2 derivatives with the donor poly(3-hexylthiophene) (P3HT) were recorded to assess the possible use of the new compounds in optoelectronic devices.

Balser, Sebastian↗
DOE OSTI2026

Structure of Complex Liquid–Liquid Extraction Organic Phases for Rare Earth Separations

Complex, multicomponent liquids with hierarchical structure and phase transitions are encountered in many natural and industrial processes, including in chemical separations. One notable example is aggregation and organic phase splitting in liquid–liquid extraction (LLE) of metal ions. While these two phenomena that have long been closely associated, a mechanistic link between mesoscale structure and the capacity-limiting organic phase splitting remains elusive due to complexity of these systems. Here, in this study, we combine small-angle X-ray scattering (SAXS), X-ray photon correlation spectroscopy (XPCS), and molecular dynamics simulation to reveal a comprehensive picture of structure at the nano- and mesoscale in these complex solutions. For the representative case of rare earth extraction from an acidic aqueous phase by a malonamide extractant in dodecane, we investigate a wide range of process-relevant extractant and acid concentrations to provide a complete picture of how aggregation depends on composition. We decompose organic phase structure from SAXS into two contributions, which together can capture the scattering at all compositions: composition fluctuations described by the Ornstein–Zernike equation at low wavenumber Q, and nanostructure modeled by a “pre-peak” at intermediate Q. The former contains information about the thermodynamics of demixing, while the latter reflects nanoscopic self-assembly of the extractant and extracted solutes. While fluctuations have typically not been considered in the literature, we find they in fact dominate the total structure for nearly all practical conditions. As only the fluctuations have a strong temperature response, we confirm this attribution with temperature-dependent SAXS measurements, including for extracted europium nitrate complexes. SAXS and XPCS measurements near the critical point find static and dynamic scaling consistent with theory. Overall, this new paradigm for understanding LLE organic phases connects composition, nanoscale, and mesoscale structuring to phase behavior, providing both a comprehensive picture of solution structure and a quantitative link between aggregation and third phase formation.

Peroutka, Allison A. [Argonne National Laboratory ↗
DOE OSTI2026

X-ray and γ-ray beam interstellar communication and implications for SETI

The possibility of detecting artificial signals transmitted by alien civilizations via collimated X-ray or gamma-ray beams is investigated. The prospect of using such beams for human communication within the solar system and beyond is also discussed. Detector responses were simulated for input signals and analyzed using relative entropy. For simplicity, all signals were assumed to use on-off keying (OOK) modulation. “Real” signals were generated by taking digital files and sequentially feeding their raw binary data to the detector simulator, the resulting normalized information content of the detector signals was plotted and compared to random noise signals. Since jpeg files contain compressed information, these served as a proxy for artificial alien signals. This showed that there is a clear difference in measured information content between natural and artificial signals, even with relatively poor time resolution in the detector causing the signals to be smeared (dead-time/rise-time intervals many times longer than the duration between signal pulses). It was found that so long as the signal lasts for at least several rise-time/dead-time intervals, the distinction between random and artificial signals is obvious. A space-telescope with high time resolution for searching for such signals is briefly described and its basic requirements are outlined.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

State-of-Charge Investigation of Lithium Manganese Dioxide Primary Batteries Utilizing X-ray Computed Tomography

Lithium primary batteries (LPBs) represent a class of energy storage devices, uniquely suited for mission-critical applications including emergency backup power, aerospace and defense electronics, implantable medical devices, and remote sensing. Despite their technological maturity and distinct advantages over rechargeable lithium-ion batteries (i.e., superior shelf life and operational simplicity), state-of-charge (SoC) estimation in these batteries remains a persistent challenge due to the lack of a reliable, quantifiable diagnostic technique. In this work, we investigate X-ray computed tomography (X-CT) as a transformative and accurate SoC estimation technique for LPBs. Results gained through X-CT measurements reveal systematic, quantifiable structural changes in cathode morphology and geometry during discharge, establishing a direct structural basis for SoC estimation, with a maximum relative standard deviation of 2.3%. This work establishes a pathway toward operando, imaging-driven SoC diagnostics that can significantly enhance the reliability of SoC estimation in LPBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Implementation of Pfirsch–Schlüter parallel flow in x-ray imaging crystal spectrometer inversion analysis

The x-ray imaging crystal spectrometer (XICS) tomographic inversion code for Wendelstein 7-X (W7-X) has been modified to consider the effects of parallel flows and has been applied to analyze measurements taken during recent experimental campaigns. Previous analysis neglected the effects of parallel flows due to the primarily perpendicular geometry of the sightlines and the small magnitude predicted by neoclassical theory. To reconsider these effects, the incompressibility condition for plasma flows is used to calculate the parallel Pfirsch–Schlüter flow component for the equilibrium configuration. By incorporating this condition along with the geometry of the sightlines—i.e. the fractional contributions of perpendicular and parallel flows—, an updated expression for the measured flow is used for the profile inversion. Application of this modified inversion code to data from W7-X shows that the magnitude of the radial electric field and the flux surface averaged perpendicular flow are reduced by approximately a factor of 2 and brought into better agreement with neoclassical predictions and charge exchange recombination spectroscopy measurements.

Pfirsch–Schlüter flows↗
DOE OSTI2026

Hyperspectral radiance mapping and chromatic correction for temperature measurement in laser-heated diamond anvil cells

In laser-heated diamond anvil cell (DAC) experiments, the effective heated region typically decreases in size with increasing pressure, leading to steeper thermal gradients. Under these conditions, chromatic aberration in the optical path from sample to detector can significantly create bias in spectro-radiometric temperature measurement. We present a radiance-mapping approach using a hyperspectral camera that records 25 spectral channels spanning 605–875 nm at each pixel in a single exposure, providing spatially and spectrally resolved radiance in each frame. This enables chromatic effects to be recorded and corrected in data processing. We developed a procedure for hyperspectral mapping, involving per-camera calibration, crosstalk removal, measured spectral throughput functions, and optional sub-pixel co-registration to minimize chromatic distortion. The calibrated radiance maps are then used to derive temperature maps of the laser-heated hotspots. For smaller heating spots, the radiance mapping approach reveals chromatic shifts that conventional spectro-radiometric methods cannot quantify. Ambient-pressure heating experiments confirm accurate temperature retrieval. At high pressure, application of the hyperspectral system to a platinum-heating experiment at 12 GPa demonstrates stable temperature reconstruction under steep thermal gradients. Beyond mitigating chromatic aberrations, the ability to diagnose optical artifacts separately from emissivity variations during controlled test experiments or in situ suggests a path toward more rigorous spectral emissivity analysis and improved modeling of thermal transport in laser-heated DAC experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Electron–Ion Covariance Reveals Geometry-Resolved Inner-Shell Spectra in CS 2 Photodissociation

The chemical shifts of inner-shell atomic orbitals are highly sensitive to chemical bonding and molecular structure. In evolving systems, however, the spectra of distinct molecular species and geometries overlap, obscuring the underlying chemical dynamics. Here we demonstrate the use of electron–ion covariance analysis to combine the structural sensitivity of Coulomb explosion imaging with inner-shell spectroscopy, yielding geometry-specific spectra of transient and product species. We apply this approach to the excited state dynamics of CS 2 probed by ionization above the S 2p edge. Electron–ion covariance with time- and momentum-selected S + and S 2+ ions isolates distinct S 2p photoelectron spectra for ground-state CS 2 , bent photoexcited CS 2 , the CS photoproduct, and bare atomic sulfur ─ species whose spectra overlap strongly in the channel-averaged measurement. Clear chemical shifts are observed in the covariance photoelectron spectrum for each of these species, all of which are consistent with high-level calculations. Here, by extracting the atomic S contribution to the photoelectron spectrum in a finely time-resolved manner we can disentangle this contribution to the overall time-resolved photoelectron spectrum as the photodissociation proceeds. These results demonstrate the promise of electron–ion covariance as a general approach to geometry-resolved inner-shell spectroscopy, opening a route to tracking structural evolution through chemical shifts in complex photoexcited molecules.

Ionization↗
DOE OSTI2026

Quantifying the Impact of Metal Population Distribution in MFI-Supported Mo Catalysts for Methane Dehydroaromatization

Precise evaluation of intrinsic kinetic behavior in Mo/MFI catalysts for methane dehydroaromatization (MDA) is confounded by variations in Mo dispersion and speciation, which are influenced by metal loading and zeolite acidity. This work advances the utility of H 2 -temperature programmed reduction (H 2 -TPR) for characterizing Mo/MFI catalysts by enabling quantitative comparison of MoO x populations distinguished by reduction behavior and linked to initial catalytic performance. A comprehensive H 2 reduction pathway is established through systematic H 2 - TPR studies varying catalyst composition (1–10 wt % Mo, Si/Al = 15, 40, ∞), supplemented by UV-Raman spectroscopy, X-ray powder diffraction, N 2 physisorption, NH 3 -TPD, and advanced spectroscopic analysis (in situ XAS with principal component analysis/multivariate curve resolution—alternating least squares). Two low-temperature H 2 -TPR regions capture distinct Mo populations undergoing initial Mo(VI)→Mo(IV) reduction: a lower-temperature population (Mo-RI) associated primarily with highly dispersed, anchored MoO x species expected to predominantly reside within MFI channels, and a higher-temperature population (Mo-RII) corresponding to a broader set of MoO x species that becomes increasingly bulk-like/extrazeolitic at higher Mo loading. Quantification of these populations provides practical, kinetically relevant descriptors for comparing initial MDA rates across catalysts with varying Mo loading, Si/Al ratio, and MoO x heterogeneity. Application of lower-temperature Mo-RI estimates to kinetic measurements reveals a minimum threshold of ∼0.12 × 10 –3 mol Mo-RI/g cat , above which initial forward benzene rates normalized to this population converge despite differences in metal loading and zeolite Brønsted acidity. This threshold coincides with a transition toward a common C 2 -mediated benzene-forming regime, as indicated by approach-to-equilibrium analysis of methane-to-ethane, ethane-to-ethylene, and ethylene-to-benzene reaction steps. Above this threshold, normalized initial benzene rates are nearly invariant with increasing Mo-RII/Mo-RI population ratio, indicating that excess Mo-RII populations, including bulk-like/extrazeolitic MoO x domains present at higher loading, do not measurably suppress benzene formation associated with anchored and mostly channel-confined Mo population under the initial-rate conditions examined.

Mo/MFI↗
DOE OSTI2026

Structural and spectroscopic characterization of a Tb(IV) polyoxometalate

There has been a renaissance in high valent lanthanide chemistry, which has resulted in the first examples of tetravalent praseodymium (Pr) and terbium (Tb) in molecular systems. These feats have been achieved with tailored ligands that facilitate tetravalent lanthanide stability in non-aqueous conditions. The next step in realizing the potential of high valent lanthanide chemistry is moving towards complexes that are stable in ambient and aqueous conditions. In this investigation, we advance this paradigm by obtaining definitive evidence of Tb(IV) in a molecular system under aqueous conditions utilizing the lacunary Wells-Dawson polyoxometalate, K 10 P 2 W 17 O 61 •20H 2 O. Herein we present the single crystal structure of K 16 Tb(IV)(P 2 W 17 O 61 ) 2 •39.85H 2 O (Tb(IV)W 34 ) as well as extensive spectroscopic evidence obtained via UV–Vis-NIR, X-ray absorption near edge spectroscopy, continuous wave X-band electron paramagnetic resonance spectroscopy and SQUID magnetometry measurements to confirm the oxidation state of Tb in W 34 complexes as +4.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Multiscale and multidimensional modeling of particle acceleration and transport in solar flares

Multi-messenger, multi-viewpoint, and time-resolved observations of solar flares are now providing unprecedented constraints on particle acceleration sites, energy conversion, and energy transport. The interpretation of current observations, including microwave imaging spectroscopy from EOVSA, hard x-ray (HXR) imaging from Solar Orbiter/STIX, gamma-ray diagnostics from Fermi, and in situ measurements from Parker Solar Probe and Solar Orbiter, collectively demands modeling frameworks that go beyond traditional spatially unresolved, one-zone models or single-mechanism descriptions. This review surveys multiscale and multidimensional modeling approaches, including kinetic, magnetohydrodynamic (MHD), and macroscopic particle models, that are being developed to meet the need. Kinetic simulations reveal that three-dimensional (3D) effects, including field-line chaos and self-generated turbulence, are essential for sustained power-law particle acceleration. MHD simulations now capture flux-rope eruptions, plasmoid-unstable current sheets, and turbulent flare regions in realistic magnetic topologies. Macroscopic models coupling MHD with energetic-particle models produce spatially resolved electron distributions and synthetic HXR and microwave emissions for direct comparison with observations. Despite these advances, outstanding challenges remain in bridging kinetic and global scales, improving MHD simulations and macroscopic particle models, and achieving quantitative model-observation closure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Synthetic modeling of soft x-ray emissivity for magnetic island analysis in LTX-β

We present a synthetic soft x-ray (SXR) forward-modeling framework that characterizes the emissivity structure of rotating magnetic islands in the Lithium Tokamak eXperiment-β across space and time. Magnetic islands associated with tearing modes produce modulations in line-integrated SXR brightness. Traditional tomographic methods struggle to resolve these structures in devices with limited sightlines, resulting in an under-determined inversion problem, or otherwise necessitate equilibrium reconstruction data, preventing their use in active control. Our approach removes this challenge by combining a fully three-dimensional ray-tracing model with a time-dependent emissivity prescription of a $m/n$ = 2/1 magnetic island. The model is validated through helical island geometry, rotation measured by magnetic diagnostics, and equilibrium constraints from PSI-Tri reconstructions. Synthetic brightness signals are generated for each photodiode sightline from a modeled emissivity profile and directly compared with experimental data from a tangential midplane SXR array. By fitting the synthetic diagnostic output to the observed brightness across time, we simultaneously infer key geometric parameters-such as island radial location, island width, and rotation frequency-without requiring full tomographic reconstruction, all with an average absolute deviation of less than 3%. This work demonstrates that forward modeling with a single tangential array can extract key island parameters in a spherical tokamak, providing a computationally efficient alternative to conventional SXR tomography and providing a pathway toward real-time magnetic-island characterization in future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

PRISMA: PARALLEL REFINEMENT AND INTEGRATION SYSTEM FOR MULTI-AZIMUTHAL ANALYSIS

The Parallel Refinement and Integration System for Multi-azimuthal Analysis (PRISMA, version 1.1.0) is a Python application for processing X-ray diffraction (XRD) image data. PRISMA wraps GSAS-II to perform azimuthally-binned peak refinement, computes per-frame strain and d-spacing from those fits, and provides three PyQt5 graphical interfaces: (1) a Recipe Builder for selecting GSAS-II control (.imctrl) files, optional mask (.immask) files or threshold-ased masking, reference and experiment image sets, peaks, zimuthal range and bin size, and an optional ceria-based auto-calibration; (2) a Batch Processor that uses Dask on local workstations and pure MPI (mpi4py.futures.MPICommExecutor) on HPC to distribute GSAS-II refinement across cores or compute nodes and write results to a 4-dimensional (peaks x frames x azimuths x measurements) Zarr dataset; and (3) a Data Analyzer that renders heatmaps of fit parameters, strain, frame-to-frame deltas, and percent-change-vs-reference, and exports user-defined subsections to CSV or Excel. The peak-refinement algorithm is deterministic. Benchmark on ALCF Crux: a 20,000-image set, single-peak fit in frame mode with 44 azimuthal bins on 128 nodes x 128 workers, 48 seconds total wall time.

Lorenzo Martin, Maria De La Cinta [Argonne Nationa↗