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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

Spectral line identification from a photoionised silicon plasma in emission

Next-generation X-ray satellite telescopes such as XRISM, NewAthena and Lynx will enable observations of exotic astrophysical sources at unprecedented spectral and spatial resolution. Proper interpretation of these data demands that the accuracy of the models is at least within the uncertainty of the observations. One set of quantities that might not currently meet this requirement is transition energies of various astrophysically relevant ions. Current databases are populated with many untested theoretical calculations. Accurate laboratory benchmarks are required to better understand the coming data. We obtained laboratory spectra of X-ray lines from a silicon plasma at an average spectral resolving power of ∼7500 with a spherically bent crystal spectrometer on the Z facility at Sandia National Laboratories. Many of the lines in the data are measured here for the first time. We report measurements of 53 transitions originating from the K-shells of He-like to B-like silicon in the energy range between ∼1795 and 1880 eV (6.6–6.9 Å). The lines were identified by qualitative comparison against a full synthetic spectrum calculated with ATOMIC. The average fractional uncertainty (uncertainty/energy) for all reported lines is ∼5.4 × 10 −5 . We compare the measured quantities against transition energies calculated with RATS and FAC as well as those reported in the NIST ASD and XSTAR’s uaDB. Average absolute differences relative to experimentally measured values are 0.20, 0.32, 0.17 and 0.38 eV, respectively. All calculations/databases show good agreement with the experimental values; NIST ASD shows the closest match overall.

astrophysical plasmas↗

Sensitivity of Simulated Polar Climate to Improved Partitioning of Spectral Solar Irradiance Between Visible and Near‐Infrared Bands

The solar radiative processes that contribute to Earth's surface and atmospheric energy budgets are strongly dependent on wavelength. For example, snow and water vapor become more absorptive as incident radiation shifts from visible (VIS) to near-infrared (NIR) wavelengths. Some earth system models (ESMs) aggregate solar radiation into just two bands (VIS and NIR) partitioned at 0.7 μm for transmission between the atmospheric and surface components. In the widely used radiative transfer model RRTMG_SW this partition is near the center of the overlap spectral band spanning 0.625–0.778 μm, whose flux is often approximated as being evenly divided between the VIS and NIR surface bands. Using a hyperspectral radiative transfer model, we show that the fractional downwelling surface flux within the overlap band is usually distributed about 55.5%:44.5% VIS:NIR. This improved approximation shifts as much as 4.27 W m −2 from the NIR to the VIS band, leading to an instantaneous decrease in surface absorption of up to 0.91 W m −2 over snow-covered surfaces. Century-long fully coupled ESM simulations show surface absorption over snow decreases by over 1.6 W m −2 . The coupled response in sea ice regions amplifies the initial forcing ten-fold, and increases seasonal sea ice area by up to 4.9%. These results highlight the importance of accurately representing the spectral distribution of solar radiation in the cryosphere.

54 ENVIRONMENTAL SCIENCES↗

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗

Conservative projection-based data-driven model order reduction of a fluid-kinetic spectral solver

Kinetic simulations are computationally intensive due to six-dimensional phase space discretization. Many kinetic spectral solvers use the asymmetrically weighted Hermite expansion due to its conservation and fluid-kinetic coupling properties, i.e., the lower-order Hermite moments capture and describe the macroscopic fluid dynamics, and higher-order Hermite moments describe the microscopic kinetic dynamics. We leverage this structure by developing a parametric data-driven reduced-order model based on the proper orthogonal decomposition, which projects the higher-order kinetic moments while retaining the fluid moments intact. We demonstrate analytically and numerically that the method ensures local and global mass, momentum, and energy conservation. The numerical results show that the proposed method effectively replicates the high-dimensional spectral simulations at a fraction of the computational cost and memory, as validated on the weak Landau damping and two-stream instability benchmark problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spectral and small-signal electroluminescence analysis of carrier dynamics in dual-color InGaN/GaN light-emitting diodes

Here, we study carrier transport, distribution, and recombination in dual-color c-plane InGaN/GaN LEDs using spectral analysis and small-signal electroluminescence (SSEL). The emissions from green and blue quantum wells (QWs) were experimentally separated and analyzed. Spectral analysis and SSEL independently demonstrate that emission from the green QW is dominant at low current densities, consistent with its narrower bandgap, while emission from the blue QW is more significant at higher current densities, consistent with its reduced quantum confined Stark effect and larger wavefunction overlap. In addition, we demonstrate that the carrier recombination in the QWs is non-uniform, with carrier transport dramatically affecting the carrier distribution between QWs and the recombination in a specific QW. Finally, our measurements suggest that the effective active region contributing most strongly to radiative recombination corresponds to approximately two to three QWs on the p-GaN side, indicating limited carrier transport to more distant QWs in the structures studied.

36 MATERIALS SCIENCE↗

Machine Learning–Augmented Laser-Induced Breakdown Spectroscopy for Spectral Discrimination of Iron Oxalates

Enhanced characterization and phase identification of post-PUREX Pu Oxalates (PuOXA) are pivotal for nonproliferation and pre-detonation nuclear forensics. Despite significant advances in the characterization of PuO 2 samples, little is known about the impact of both the chemical structure and oxidation states of PuOXA (i.e., Pu(III) and Pu(IV)) have on optical emission signatures. Here, we demonstrate the analytical capabilities of laser-induced breakdown spectroscopy (LIBS) applied to Fe(II) and Fe(III) oxalate samples as surrogates for PuOXA, highlighting the discriminating features in the LIBS emission spectra arising from differences in the oxidation states within mixed FeOXA samples. We report the enhancement of spectral feature selection using Principal Component Analysis (PCA), which enables the analytical superiority of machine learning algorithms such as Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA), Partial Least Squares Regression (PLSR), Support Vector Regression (SVR), and Random Forest Regression (RFR) over conventional univariate techniques for phase discrimination and chemometric analysis. Cluster analysis revealed how both matrix effects and laser ablation influence cluster separability by introducing spectral artifacts that misdirect the maximization of variance. PCA-selected emission lines were used in the regression models, demonstrating that both univariate and multivariate linear regression models (i.e., PLSR and SVR) can achieve acceptable performance, with machine learning models outperforming conventional calibration regressions. Furthermore, the application of non-linearly activated PCA-selected emission lines illustrates how simplifying the data while retaining captured variance enables the use of less complex and more computationally efficient models. Furthermore, this is particularly evident in the underperformance of RFR, which suffers from increased computational costs and overfitting owing to its high complexity.

Oxalates↗

Co-designing Spectral Transformation Oracles with Hybrid Oscillator-Qubit Quantum Processors: From Algorithms to Compilation

We co-design a family of quantum eigenvalue transformation oracles that can be efficiently implemented on hybrid discrete- or continuous-variable (qubit or qumode) hardware. To illustrate the oracle’s representation-theoretic power and near-term experimental accessibility, we encode a Gaussian imaginary time-evolution spectral filter. As a result, we define a continuous linear combination of unitaries block encoding. Due to the ancillary qumode’s infinite-dimensional nature, continuous-variable qumodes constitute a powerful compilation tool for encoding continuous spectral functions without discretization errors while minimizing resource requirements. We then focus on the ubiquitous task of preparing eigenstates in quantum spin models. For completeness, we provide an end-to-end compilation which expresses high-level oracles in terms of an experimentally realizable instruction set architecture in both 1D and 2D. Finally, we examine the leading-order effects of physical errors and highlight open research directions. Our algorithms scale linearly with the spatial extent of the target system and are applicable to both near-term and large-scale quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effects of screening and pressure ionization on the electron broadening of spectral lines in dense plasmas

Collisions between electrons and radiating atoms broaden spectral absorption and emission lines in dense plasmas. High densities also introduce screening and pressure ionization effects that distort the wave functions of both bound and free electrons. In order to study how dense plasma effects influence the electron broadening of spectral lines, this paper incorporates electron wave functions from an average-atom (AA) model to calculate the linewidth of the B III 2⁢𝑝−2⁢𝑠 transition at 𝑇 = 10 eV for mass densities ranging from 𝜌 = 10 −4 to 0.4⁢ g⁡/cc. The calculation method uses the impact approximation, allowing the linewidth to be written in terms of electron-collision cross sections and an interference term. Compared to an otherwise identical calculation that uses Coulomb free wave functions, the AA method is found to modify both the cross sections and the resulting linewidth at sufficiently high density by introducing screening and pressure-ionized bound states. Screening lowers the cross sections at low energies and near electron excitation thresholds, while pressure-ionized bound states introduce resonances into the continuum. Thus, as the density increases, the relative linewidth between the AA and Coulomb calculations follows a general decrease because of screening, with sharp increases at various intervals due to pressure ionization. Finally, the AA results are also compared with a common approach to introduce screening through the interaction potential and reduced models that use the Bethe formula for the inelastic electron-collision cross sections.

electronic excitation & ionization↗

Impact of penetrating collisions of plasma ions on spectral line shapes

Spectral-line-broadening models have been moving towards including full Coulomb interactions between the atom and plasma, replacing the commonly used dipole approximation. The effects of the full Coulomb interaction have been thoroughly explored for plasma electrons, resulting in redshifts of spectral lines in high-energy-density plasmas. We explore the impact of a full Coulomb treatment on ion broadening. Penetrating collisions due to ions do not significantly impact the linewidths. The most significant aspect is the appearance of quasimolecular resonances in the far line wings, such as those previously observed in white-dwarf spectra. We identify several problems with the existing models. The most direct implementation causes the quasimolecular features to appear at the wrong photon energies. It is possible to include the detailed molecular structure, but this currently requires the Anderson-Talman approximation, which ignores the N-body properties of the plasma. We find that N-body effects can substantially broaden these quasimolecular features and even shift them, depending on the plasma conditions. We conclude that penetration of ions into the spatial extent of the radiator wave function does not strongly affect the usual diagnostics and may have a moderate to weak effect on opacity. Furthermore, the Rosseland mean opacity is weighted towards low-opacity regions of a spectrum, where these quasimolecular features are found.

79 ASTRONOMY AND ASTROPHYSICS↗

Rephasing spectral diffusion in time-bin spin-spin entanglement protocols

Generating high-fidelity spin-spin entanglement is an essential task of quantum repeater networks for the distribution of quantum information across long distances. Solid-state-based spin-photon interfaces are promising candidates to realize nodes of a quantum network, but are often limited by spectral diffusion of the optical transition, which results in phase errors on the entangled states. Here, we introduce a method to correct phase errors from quasi-static frequency fluctuations after the entangled state is generated, by shelving the emitters in the excited state to refocus the unknown phase. For quasi-static frequency fluctuations, the fidelity is determined only by the lifetime of the excited state used for shelving, making it particularly suitable for systems with a long-lived shelving state with correlated spectral diffusion. Such a shelving state may be found in Kramers doublet systems such as rare-earth emitters and color centers in Si or SiC interfaced with nanophotonic cavities with a strongly frequency-dependent Purcell enhancement. Furthermore, the protocol can be used to generate high-fidelity entangled spin pairs without reducing the rate of entanglement generation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gravitational waves from binary neutron star mergers with a spectral equation of state

In numerical simulations of binary neutron star systems, the equation of state of the dense neutron star matter is an important factor in determining both the physical realism and the numerical accuracy of the simulations. Some equations of state used in simulations are C 2 or smoother in the pressure/density relationship function, such as a polytropic equation of state, but may not have the flexibility to model stars or remnants of different masses while keeping their radii within known astrophysical constraints. Other equations of state, such as tabular or piece-wise polytropic, may be flexible enough to model additional physics and multiple stars' masses and radii within known constraints, but are not as smooth, resulting in additional numerical error. We will study in this paper a recently developed family of equation of state, using a spectral expansion with sufficient free parameters to allow for a larger flexibility than current polytropic equations of state, and with sufficient smoothness to reduce numerical errors compared to tabulated or piece-wise polytropic equations of state. We perform simulations at three mass ratios with a common chirp mass, using two distinct spectral equations of state, and at multiple numerical resolutions. We evaluate the gravitational waves produced from these simulations, comparing the phase error between resolutions and equations of state, as well as with respect to analytical models. From our simulations we estimate that the phase difference at merger for binaries with a dimensionless weighted tidal deformability difference greater than Δ$\tilde{Λ}$=55 can be captured by the SpEC code for these equations of state.

79 ASTRONOMY AND ASTROPHYSICS↗

Single-shot hard X-ray spectrometer with uniform spatial and spectral response

We demonstrate a single-shot hard X-ray spectrometer based on small-angle scattering from glassy carbon that is insensitive to XFEL beam-dependent spatial and spectral variations. Comparison with established X-ray Thomson scattering diagnostics using stochastic correlation X-ray spectroscopy demonstrates full-bandwidth coverage with meV-scale spectral resolution, enabling reliable single-shot spectroscopic measurements.

47 OTHER INSTRUMENTATION↗

Spectral Clustering-Based Partitioning of Large-Scale Power Electronics-Based Power Systems for Small-Signal Stability Analysis

The nodal admittance matrix (NAM)-based approach is well-suited for small-signal stability analysis of large-scale power electronics-based power systems (PEPSs), as it preserves the system structure through its admittance matrix. Previous studies have explored partitioning such systems into subareas and interconnections to reduce computational burden; however, they lacked a formal algorithmic procedure for determining feasible partitions. While several grid partitioning methods, such as those based on graph theory or machine learning, exist in the literature, they cannot be directly applied to NAM-based analysis due to differing objectives and constraints. Here, this paper addresses this gap by presenting a systematic, step-by-step procedure for applying a spectral partitioning algorithm that yields a division of the system into subareas suitable for NAM-based analysis. The computational complexity of the proposed method is also derived to demonstrate its efficiency and justify the practicality of the resulting subarea decomposition. The performance of the partitioning method is evaluated by applying the spectral clustering-derived subareas and interconnections to the NAM-based partitioning approach on a 140-bus system. Computational times for the full-system and partitioned NAM analyses are compared using MATLAB. Additionally, PSCAD simulations of the complete system and partitioned subareas are carried out to verify the effectiveness of the proposed method.

Nupur [Univ. of Tennessee, Knoxville, TN (United S↗

Searching for beyond the Standard Model physics using the improved description of 100 Mo $2\nu \beta \beta$ decay spectral shape with CUPID-Mo

The current experiments searching for neutrinoless double-β ($0\nu \beta \beta$) decay also collect large statistics of Standard Model allowed two-neutrino double-β ($2\nu \beta \beta$ ) decay events. These can be used to search for Beyond Standard Model (BSM) physics via $2\nu \beta \beta$ decay spectral distortions. 100 Mo has a natural advantage due to its relatively short half-life, allowing higher $2\nu \beta \beta$ decay statistics at equal exposures compared to the other isotopes. We demonstrate the potential of the dual read-out bolometric technique exploiting a 100 Mo exposure of 1.47 kg years, acquired in the CUPID-Mo experiment at the Modane underground laboratory (France). We set limits on $0\nu \beta \beta$ decays with the emission of one or more Majorons, on $2\nu \beta \beta$ decay with Lorentz violation, and $2\nu \beta \beta$ decay with a sterile neutrino emission. In this analysis, we investigate the systematic uncertainty induced by modeling the $2\nu \beta \beta$ decay spectral shape parameterized through an improved model, an effect never considered before. This work motivates searches for BSM processes in the upcoming CUPID experiment, which will collect the largest amount of $2\nu \beta \beta$ decay events among the next-generation experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Three phase spectral interferometry for recording high dynamic range optical waveforms with <1 ps resolution over >2 ns records applied to closed-loop pulse shaping

Herein we demonstrate, to our knowledge, a novel spectral interferometry technique that simultaneously captures three spectral interferograms of a signal waveform with a reference pulse. The measured performance is robust to nonidealities and ambient drifts by implementing a precisely calibrated 3 × 3 polarization maintaining (PM) splitter that provides three phase shift differences nominally spaced 120° apart. The system can achieve long record length by implementing three, high resolution, virtually imaged phase array (VIPA) spectrometers. Here, we experimentally implement this technique and demonstrate the measurement of waveforms with >2ns of record while maintaining <1ps resolution.

42 ENGINEERING↗

Spectral broadening and compression of picosecond pulses in air using a multi-pass cell

We report the spectral broadening and post-compression of picosecond pulses using a multi-pass cell (MPC) operating in air. A 2 m-long bi-concave cavity with 41 reflections and 96.4% transmission was designed and implemented, optimized for the compression of 5.5 ps, 4.5 mJ pulses from a Yb:YAG laser operating at 1030 nm. A 19.3-fold spectral broadening was obtained, increasing the bandwidth from 0.3 nm to 5.8 nm, which enabled pulse compression down to 547 fs with a symmetric temporal profile close to the transform limit. These results demonstrate the feasibility of using open-air MPCs for high-energy picosecond pulse post-compression, without the need for sealed chambers, while preserving high mode quality and transmission. Scaling to pulse higher energy is discussed.

Zaldivar Escola, F. [Univ. of Buenos Aires (Argent↗

From broadband biphotons to frequency combs via spectral compression with time-varying cavities

Biphoton frequency combs are promising resources for quantum networking due in large part to their compatibility with the telecommunication infrastructure. Here, in this work, we propose a method to periodically compress broadband frequency-entangled photons into biphoton frequency combs by utilizing time-varying linear cavities. Our approach hinges on rapid modulation of the input cavity coupling, yielding high spectral purity in each output comb line similar to that achieved with narrowband filters, but without the associated loss in flux. We examine the dependence of spectral purity and compression on coupling strength, cavity loss, and switching speed, finding realistic regimes supporting purities in excess of 0.999 and peak enhancement factors of 100× and beyond.

Myilswamy, Karthik V. [Purdue Univ., West Lafayett↗

X-ray Spectral-Timing Pipeline to Investigate an Electron-Scattering Time Delay in Black Hole Accretion Disks [Slides]

The soft lag in black hole X-ray binaries (BHXRBs) refers to the time delay for the soft, thermal disk to respond to hard, variable coronal irradiation. This time lag increases from less than 1 ms to ~10 ms during the hard-to-soft state transition. Interpretations of soft lag trends appeal to changing the light-travel path via an evolving coronal height and/or inner accretion disk radius. Both interpretations neglect a time delay contribution from the reprocessing of irradiation inside the disk, where electron-scattering opacity dominates. A new theory considering a thermalization (electron scattering) time delay in the disk can plausibly produce ~10 ms time delays in the intermediate state. To further investigate the impacts of adding a time delay component from electron scattering in the disk, we are creating a spectral-timing pipeline that can analyze NICER (Neutron Star Interior Composition Explorer) X-ray observations of BHXRBs in outburst. In the near future, we will apply this spectral timing pipeline to develop a reverberation lag model from simulations that include the thermalization time delay from electron scattering in the disk.

79 ASTRONOMY AND ASTROPHYSICS↗