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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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DOE OSTI2026

Demystifying Piecewise and Localized Scatter Correction Methods

Multiplicative scatter is a common source of noise in near-infrared spectroscopy and other related instrumental techniques. A wide variety of methods are commonly used for the correction of multiplicative scatter. However, the majority of such methods assume that the parameters that describe the scatter are constant throughout the measured spectrum, which is often not the case. This work investigates a family of methods that perform scatter correction using local regions of neighboring wavelengths in order to better account for wavelength-dependent scattering. The methods in question are piecewise standard normal variate, localized standard normal variate, piecewise multiplicative scatter correction, and localized multiplicative scatter correction. This work describes the theoretical and algorithmic foundations of the family of local region-based scatter correction methods and compares their application and optimization at a qualitative and quantitative level using several datasets.

NIR spectroscopy↗

DOE OSTI2026

Pyrolysis_Molecular_Beam_Mass_Spectra_for_Standard_Biomass_Samples_and_Natural_Variants_of_Switchgrass_Grown_Under_Different_Conditions

This data consists of total ion chromatogram (TIC) normalized Pyrolysis-Molecular Beam Mass Spectrometry (py-MBMS) spectra collected to predict lignin content and lignin monomeric ratios for “Variation in Biomass Yield and Cell Wall Composition in Switchgrass Natural Variants Under Two Nitrogen Regimes” (https://doi.org/10.1007/s12155-025-10838-8).

09 BIOMASS FUELS↗

DOE OSTI2025

Estimation of intensity, footprint, and capacity of surface urban heat islands using a direction-enhanced adaptive synchronous extraction (DEASE) method

Here, the surface urban heat island (SUHI) effect, assessed through remotely sensed land surface temperature (LST), remains a focal point in urban climate research. Conventional indicators like SUHI intensity (SUHII) and footprint (SUHIF) capture peak values and spatial extent but fail to account for the cumulative thermal load—a critical dimension reflecting the total heat exposure imposed by spatially continuous warming, which directly limits a holistic assessment of ecological and societal impacts of the SUHI effect. Therefore, this study introduces an indicator termed SUHI capacity (SUHIC), designed to quantify the aggregated SUHI effect by integrating the magnitude of the warming signal across all affected areas, thereby enabling a more comprehensive evaluation of urban thermal environments. Furthermore, a direction-enhanced adaptive synchronous extraction (DEASE) method is proposed for the quantification of SUHIC. This method can dynamically identify the optimal background reference area based on the urban-rural LST gradients in various directions within the city, without relying on predefined mathematical models as previously. The results from 102 European cities first confirm that the directional variations in urban-rural LST gradients, and the DEASE method can effectively capture these distinctions for the simultaneous estimation of SUHII, SUHIF, and SUHIC. Secondly, the spatial patterns of absolute SUHIC values show strong associations with those of SUHIF (R2>0.86), while its relative values (normalized by the area of urban) align more closely with SUHII (R2 > 0.64). More importantly, SUHIC can serve as a crucial reference for assessing the urban thermal signal when SUHII and SUHIF diverge. The proposed method and framework contribute to standardizing the quantification of the SUHI effect.

Indicator↗

DOE OSTI2025

Thermal oxidation of nuclear graphite and pyrolytic carbon coatings

The oxidation of pyrolytic carbon (PyC) deposited via fluidized bed chemical vapor deposition was characterized and compared with that of standard nuclear-grade graphite. The materials were heated at 700 to 1000 °C in a thermogravimetric analysis system under 20% v/v O 2 flow, allowing for direct comparison of dynamic oxidative mass change in each material. Further, three different PyC samples fabricated under different conditions exhibited variation in total mass loss and mass loss rate, varying by as much as 709 mg/cm 2 in total mass loss and 14.2 (mg/cm 2 )/min in mass loss rate at a single temperature. These variations highlight the correlation between PyC microstructure/defect density and oxidation susceptibility. Additionally, changes in the microstructure and composition between PyC and graphite were characterized via scanning electron microscopy and correlated to the mass loss results. The results of this work have implications toward the safety of tristructural isotropic (TRISO) and other coated particle fuels, especially under off-normal conditions, given the limited information that exists about the oxidation behavior of PyC.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Analyzing the Quantum Approximate Optimization Algorithm: Ansätze, Symmetries, and Lie Algebras

The quantum approximate optimization algorithm (QAOA) has been proposed as a method to obtain approximate solutions for combinatorial optimization tasks. In this work, we study the underlying algebraic properties of three QAOA ansätze for the maximum-cut problem on connected graphs, while focusing on the generated Lie algebras as well as their invariant subspaces. Specifically, we analyze the standard QAOA ansatz as well as the orbit and multiangle ansätze. We are able to fully characterize the Lie algebras of the multiangle ansatz across arbitrary connected graphs, finding that they only fall into one of just six families. Aside from the cycle and path graphs, the Lie dimensions for every graph are exponentially large in the system size, meaning that multiangle ansätze are extremely prone to exhibiting barren plateaus. Then, a similar quasi-graph-independent Lie-algebraic characterization beyond the multiangle ansatz is impeded as the circuit exhibits additional “hidden” symmetries besides those naturally arising from a certain parity-superselection operator and all automorphisms of the considered graph. Disregarding the “hidden” symmetries, we can upper bound the dimensions of the orbit and the standard Lie algebras, and the dimensions of the associated invariant subspaces are determined via explicit character formulas. To finish, we conjecture that (for most graphs) the standard Lie algebras have only components that are either exponential or that grow, at most, polynomially with the system size. This would imply that the QAOA is either prone to barren plateaus or classically simulable. More generally, our work provides a symmetry framework and tools to analyze any desired variational quantum algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

The role of ion-scale micro-turbulence in pedestal width of the DIII-D wide-pedestal QH mode

The low-edge rotation, intrinsically ELM-free, and improved confinement wide-pedestal quiescent H-mode (QH-mode), discovered in DIII-D tokamak, has pedestal widths exceeding the EPED-kinetic-ballooning mode (KBM) model scaling typically by at least 25%. Ion-scale ($k_yp_s$ < 1) microturbulence and its role in setting the pedestal structure is investigated using the radially local δ$f$ gyrokinetic code CGYRO. The electromagnetic trapped electron mode (TEM) is unstable at the pedestal top, while plasma beta (β$_e$) is ∼60% below the KBM onset threshold and the electron temperature gradient mode is found to be unstable in the peak gradient region. Nonlinear simulation reveals that the ion-scale turbulence could produce electron energy flux consistent with the flux inferred from power balance at the pedestal top, with a reasonable variation of the local shearing rate; and the local neoclassical transport from NEO is dominant over the simulated turbulent transport in the ion energy flux channel. The simulated ion-scale turbulence produces much lower electron energy flux than inferred from experiment in the pedestal peak gradient region. A correction to the EPED-KBM pedestal width scaling is obtained based on the two-dimensional scan of pedestal top plasma beta (β$_e$) and normalized electron density and temperature scale lengths,${a}$/${L_n}_e$, ${a}$/${L_T}_n$using CGYRO linear simulations. Mode transitions among TEM, micro-tearing mode, ion-temperature gradient mode and KBM, are observed in the 2D scan at the pedestal top. A fixed normalized growth rate for these drift-type modes is taken to determine the pedestal width scaling, which shows good consistency with the QH experimental database on pedestal heights and widths. The onset of KBM instabilities and the local E × B shear suppression criterion set the lower and upper limit for the pedestal width of standard QH-mode, wide-pedestal QH-mode and type-I ELMy H mode. A potentially higher and wider pedestal is expected from the new scaling of pedestal width. This work presents an improved understanding of the ion-scale micro-turbulence of wide-pedestal QH-mode and sheds light on a promising scenario for future reactors, including ITER and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Directional dependence of equilibrated TLD-400 chips in multiple radiation fields

Fielding of thermoluminescent dosimeters (TLDs) for measurement of photon radiation dose in experiments is the standard practice for γ-irradiation facilities, pulsed power x-ray facilities, and reactor facilities at Sandia National Laboratories (SNL). Due to the high-dose experimental conditions and the mixed ( 1 n, γ) fields in these facilities, SNL radiation metrologists have historically used CaF 2 :Mn TLDs (also known as TLD-400). Recent inquiries to the radiation metrology staff have raised concerns that the aluminum-equilibrated TLD-400 chips may exhibit a directionally dependent response. The metrologists were asked whether the dose measured by the chip may be impacted by the angle of incidence on the equilibrated TLD. To provide a thorough answer to this query, a set of adjoint Monte Carlo radiation transport calculations was performed for three different equilibrated TLDs as well as bare TLD chips using the Integrated Tiger Series (ITS) code. The key feature of the adjoint calculations performed in this study is that each photon escaping the modeled geometry was tallied into angular bins to provide information on both the energy and angular dependence of the equilibrated chip. After the adjoint Monte Carlo calculations were completed, the resulting energy-dependent response function for each angular bin was convolved with multiple photon energy spectra representing various radiation facilities at SNL. The radiation facilities selected for analysis span a range of photon energies from approximately 1 keV up to approximately 20 MeV. Thus, the presented results are applicable to a wide variety of radiation facilities around the world. Although the bare TLD-400 chip was expected to display the largest variation due to the photon angle of impact on the dosimeter, the dosimeter with the thinnest aluminum equilibrator (SNL thin equilibrated TLD-400) was determined to have the biggest differential between the impact angle with the maximum dose ( D max ) and the impact angle with the minimum dose ( D min ). However, the SNL normal equilibrated TLD-400 chip demonstrated a dramatic reduction in that differential between maximum and minimum dose angles. The reduction in this differential is one of the dominant factors in experimenters’ choice to field these dosimeters at SNL radiation facilities. The results from the PNNL (Hanford) energy-flattening field capsule are consistent with the previous publications. The differential dose responses due to the photon impact angle indicate that experimenters should strive to field their TLD-400 dosimeters in a consistent manner to avoid additional uncertainty in the measurements based on dosimeter orientation.

Adjoint radiation transport↗