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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

When Photoelectrons Meet Gas Molecules: Determining the Role of Inelastic Scattering in Ambient Pressure X-ray Photoelectron Spectroscopy

Inelastic photoelectron scattering (IPES) by gas molecules, a critical phenomenon observed in ambient pressure X-ray photoelectron spectroscopy (APXPS), complicates spectral interpretation due to kinetic energy loss in the primary spectrum and the appearance of additional features at higher binding energies. In this study, we systematically investigate IPES in various gas environments using APXPS, providing detailed insights into interactions between photoelectrons emitted from solid surfaces and surrounding gas molecules. Corelevel XPS spectra of Au, Ag, Zn, and Cu metals were recorded over a wide kinetic energy range in the presence of CO 2 , N 2 , Ar, and H 2 gases, demonstrating the universal nature of IPES across different systems. Additionally, we analyzed spectra of scattering effects induced by gas-phase interactions without metal solids. In two reported CO 2 -reduction systems (p-GaN/ Au/Cu and p-Si/TaO x /Cu), we elucidated that IPES is independent of the composition, structure, or size of the solid materials. Using metal foil platforms, we further developed an analytical model to extract electron excitation cross sections of gas molecules. These findings enhance our understanding of IPES mechanisms and enable the predictions of IPES structures in other solid–gas systems, providing a valuable reference for future APXPS studies and improving the accuracy of spectral analysis in gas-rich catalytic interfaces.

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

Measurement of $\nu_\mu/\bar\nu_\mu$ CC double-differential cross sections on MINERvA hydrocarbon target for the shallow inelastic scattering background region

Cross section measurements are essential for all neutrino oscillation experiments. In fact, uncertaintiesassociated to cross section model parameters constitute one of the dominant sources oferrors in current oscillation analyses. In particular, understanding neutrino-induced pion productionin the kinematic regime known as shallow inelastic scattering (SIS) is critical for improvingneutrino interaction modeling in event generators. In this study, 416,233 (237,468) muon neutrino(antineutrino) interactions are measured in a SIS background region, predominantly made ofbaryon resonances. The analyzed datasets were collected from 2013 to 2019, comprising neutrinosgenerated by the Fermilab NuMI facility, with mean energy of 6 GeV, and the interactions occurredon the MINERvA hydrocarbon target. The measurements are presented as double-differential crosssections in terms of the outgoing muon longitudinal and transverse momentum components, aswell as the Bjorken x and y variables. Comparisons between the extracted data and predictionsfrom several generators reveal significant discrepancies across most kinematic bins.

Souza Correia, Souza Correia, Daniel [Rio de Janei↗
DOE OSTI2025

Microscopic calculations with noniterative finite amplitude methods and the application to neutron radiative captures and inelastic scatterings

We derive the fully self-consistent quasiparticle random-phase approximation (QRPA) equations with noniterative finite amplitude methods and calculate the transition strengths of giant resonances. Then, we apply the QRPA results to both neutron radiative capture calculations based on the statistical Hauser-Feshbach theory and inelastic scattering calculations based on distorted-wave Born approximation (DWBA). We compare the calculated results with available experimental data and demonstrate how our approach can reproduce giant resonances and various nuclear reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Energy-energy correlators in 𝑒 + ⁢𝑒 − annihilation and deep inelastic scattering

We study energy-energy correlators (EECs) in 𝑒 + ⁢𝑒 − annihilation and deep inelastic lepton-hadron scattering (DIS), focusing on aspects of nonperturbative physics in these observables. We introduce the EEC jet functions and investigate the infrared behavior of both small-angle EECs and angle-integrated EECs by performing explicit one-loop calculations. The factorization and universality of the EECs in these processes are demonstrated. A matching scheme is proposed to smoothly connect kinematic regions where different scaling behaviors with jet energy are observed. In combination with the next-to-leading order correction, this matching provides a good description of the EEC data and pythia simulations in high-energy 𝑒 + ⁢𝑒 − annihilation. Predictions for DIS processes for future electron-ion collider kinematics are also presented.

Guo, Yuxun [Lawrence Berkeley National Laboratory ↗
DOE OSTI2025

Dihadron azimuthal correlations in deep-inelastic scattering off nuclear targets

We measured the nuclear dependence of the di-pion azimuthal correlation function in deepinelastic scattering (DIS) using the CEBAF Large Acceptance Spectrometer (CLAS) and a 5 GeV electron beam. As the nuclear-target size increases, transitioning from deuterium to carbon, iron, and lead, the correlation function broadens monotonically. Its shape exhibits a significant dependence on kinematics, including the transverse momentum of the pions and the difference in their rapidity. None of the various Monte-Carlo event generators we evaluated could fully replicate the observed correlation functions and nuclear effects throughout the entire phase space. As the first study of its kind in DIS experiments, this research provides an important baseline for enhancing our understanding of the interplay between the nuclear medium and the hadronization process in these reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Precision ultranarrow-linewidth resonance excitation (PURE) preparation of a molecular beam of nitric oxide molecules for inelastic scattering with argon

We recently reported a novel technique that utilizes narrow-linewidth lasers to selectively excite molecules into a pure quantum state with a well-resolved, tunable distribution of velocities [O. A. Krohn and D. W. Chandler, J. Phys. Chem. Lett. 15(50), 12455–12463 (2024)]. We refer to the preparation of molecules by this technique as precision ultranarrow-linewidth resonant excitation (PURE) preparation. Here, in this study, we pair this PURE preparation methodology with active frequency stabilization of the quantum cascade laser that drives the excitation. In doing so, highly velocity-resolved packets of molecules are possible, with the limitations of this velocity resolution set by the stability of the laser locking and the spectral linewidth of the transition. We show that side-of-fringe locking to a Doppler-broadened absorption spectrum of our target molecule is sufficiently stable for PURE preparation of molecules for long timescales (several hours) with highly resolved velocity spreads (σ < 3 m/s). To demonstrate the scientific utility of this new capability, we present differential cross sections from scattering between a neat molecular beam of argon and a velocity-selected beam of nitric oxide (NO) in a pure quantum state. We observe well-resolved quantum diffraction oscillations in the forward-scattered collisions as well as general trends consistent with prior characterized collisions of NO + Ar.

Krohn, Olivia A. [Sandia National Laboratories (SN↗
DOE OSTI2026

Violation of detailed balance in non-equilibrium magnons observed by inelastic neutron scattering

Traditional inelastic neutron scattering (INS) characterizes excitations—such as phonons and magnons—in condensed matter systems at thermodynamic equilibrium. However, the most intriguing and puzzling many-body effects in open quantum systems often emerge from dissipative dynamics that are inherently out of equilibrium. Here, we use a combination of laser pumping and INS to experimentally observe long-lived nonequilibrium magnons in a two-dimensional (2D) square-lattice Heisenberg antiferromagnet. These nonequilibrium magnons manifest themselves as a violation of detailed balance in the dynamic structure factor and reach steady states under periodic driving, analogous to nonequilibrium steady states in driven dissipative systems. Furthermore, we show that the violation of detailed balance reflects the quantum-mechanical nature of the underlying dynamical system, where out-of-time-ordered correlations of creation and annihilation operators do not satisfy commutation relations. The in operando INS technique developed here provides a new approach to studying nonequilibrium magnons in prototypical 2D quantum magnets and can be extended to other systems, including one-dimensional spin chains and topological many-body spin systems, where nonequilibrium effects are widespread and rich in discovery potential.

Hua, Chengyun [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2026

Nonequilibrium magnons studied by inelastic neutron scattering

In this work, we explore time-resolved dynamics of non-equilibrium magnons in Rb2MnF4, a model two-dimensional square lattice Heisenberg antiferromagnet using a novel laser-neutron pump-probe technique. This technique uses a nanosecond pulsed laser to periodically excite magnons to out-of-equilibrium states and then probe the resulting dynamics using INS.

36 MATERIALS SCIENCE↗
DOE OSTI2026

pathSQE : an automated workflow for single-crystal inelastic neutron scattering data processing and analysis

Inelastic neutron scattering (INS) experiments utilizing modern time-of-flight spectrometers enable the comprehensive mapping of the energy (E)- and momentum (Q)-resolved dynamical structure factor of single crystals, probing both the lattice and magnetic excitations. Yet, the large size and complexity of four-dimensional INS data are challenging current analysis workflows, often resulting in an underutilization of the measured information. To help address this issue, this paper introduces new software interfaced with the Mantid framework, pathSQE, designed to streamline the processing, analysis and interpretation of 4D single-crystal INS data. By automating key tasks such as 1D/2D slicing, symmetrization, Brillouin zone folding, data visualization, prioritization and filtering, and comparisons with simulations, pathSQE facilitates and accelerates INS data analysis workflows. Here, this paper outlines the features and implementation and provides several illustrations of the use of pathSQE on data collected on single crystals using direct-geometry time-of-flight spectrometers at the Spallation Neutron Source, including Ge, FeSi, MnO and SnS single-crystal measurements on the ARCS, HYSPEC and CNCS neutron spectrometers. Beyond streamlining post-experiment data processing, pathSQE establishes an automated and modular processing pipeline that could support future real-time experiment steering.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Time-of-flight inelastic neutron scattering data of the quantum spin-Peierls chain CuGeO3

Inelastic neutron scattering data of co-aligned CuGeO3 single crystals (5.21 g). The data were collected at SEQUOIA time-of-flight spectrometer. The samples were mounted with the (0KL) plane horizontal. Co-alignment was achieved with overall mosaicity of 1 degree. The data were collected at 5 K, 20 K, 50 K, 100 K, and 150 K with incident neutron energies Ei = 24 and 60 meV and the standard high-resolution chopper condition.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Time evolution of a pumped molecular magnet—A time-resolved inelastic neutron scattering study

Introducing an experimental technique of time-resolved inelastic neutron scattering (TRINS), we explore the time-dependent effects of resonant pulsed microwaves on the molecular magnet Cr 8 F 8 Piv 16 . The octagonal rings of magnetic Cr 3+ atoms with antiferromagnetic interactions form a singlet ground state with a weakly split triplet of excitations at 0.8 meV. A 4.6 tesla field was applied to tune the splitting between two members of the triplet excited level |1$\rangle$ ↔ |2$\rangle$ to resonance with 105 GHz (0.434 meV) microwaves. The time-dependent occupations of the ground state |0$\rangle$, lower lying levels |1$\rangle$ and |2$\rangle$, and higher energy states |λ ≥ 3$\rangle$ were extracted during and after 20 s long microwave pulses incident along the (101) direction of a Cr 8 F 8 Piv 16 crystal held at 1.9 K. At significantly elevated spin temperatures, we found underpopulation relative to thermal equilibrium of |2$\rangle$ and spin-lattice thermalization time scales ranging from 1.6(2) s to 5.7(2) s depending on the power level. This contrasts with the relaxation time τ 1 (T → 0) = 27(5) 𝛍 s inferred for |2$\rangle$ from in situ Electron Spin Resonance measurements. By probing a broad range of excited states during intense microwave pumping, TRINS thus provides a first view of long lived excited states in a molecular antiferromagnet.

Science & Technology - Other Topics↗
DOE OSTI2025

Inelastic Neutron Scattering Data for Ba₃Zn(Ru₀.₁Sb₁.₉)O₉

This dataset contains inelastic neutron scattering measurements on the magnetically dilute compound Ba₃Zn(Ru₀.₁Sb₁.₉)O₉, collected at the Spallation Neutron Source using the Cold Neutron Chopper Spectrometer (CNCS) and the SEQUOIA Fine-Resolution Fermi Chopper Spectrometer. The sample consists of nominally 5% magnetic Ru⁵⁺ ions (S = 3/2) randomly substituted into a diamagnetic Sb⁵⁺ matrix. Measurements were performed at base temperature (2–5 K) and 300 K using multiple incident energies (1.00, 3.32, 12.0, and 100 meV) to resolve magnetic excitations from isolated monomers and small Ru clusters (dimers, trimers, etc.). The dataset includes raw event-mode files, momentum- and energy-resolved spectra, and supporting metadata for instrument configuration, sample environment, and reduction parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-temperature anomalous Hall effect driven by frustrated spin fluctuations in the antiferromagnetic delafossite metal PdCrO 2

Metallic delafossite oxides are of exceptional interest due to their ultraclean metallic transport. In the case of PdCrO 2 , this arises in a triangular-lattice antiferromagnet, creating a unique opportunity to study frustrated magnetism in a very clean metal. Here, we combine a chemical vapor transport crystal growth approach with magnetic, thermodynamic, magnetotransport, and neutron scattering measurements to elucidate the striking anomalous Hall effect (AHE) in antiferromagnetic PdCrO 2 . The unconventional AHE (with anomalous Hall conductivity ~10 5 Ω −1 cm −1 ) and a large positive magnetoresistance effect (>1,000%) are shown to exhibit complex temperature dependencies, persisting to almost seven times the Néel temperature (~250 K). These effects are directly compared to elastic neutron scattering, inelastic neutron scattering, and neutron magnetic pair distribution function data, establishing unambiguous links between anomalous magnetotransport properties and directly probed short-range spin fluctuations. The latter occur over a notably broad temperature range due to geometrical magnetic frustration. Connecting to recent experimental and theoretical developments, these findings are discussed in terms of a temperature-dependent interplay between chiral spin order and chiral spin fluctuations, significantly elucidating the high-temperature anomalous magnetotransport in such compounds.

anomalous Hall effect↗
DOE OSTI2025

Phonon second harmonic generation in NaBr studied by inelastic neutron scattering and computer simulation

The phenomenon of second harmonic generation (SHG) was found for phonons in anharmonic NaBr by inelastic neutron scattering. The temperature dependence of this phonon SHG was measured from 300 K to 650 K. At 300 K the second harmonic (SH) is seen as a high-energy branch around 33 meV, nearly independent of $\overrightarrow{Q}$. The temperature effective potential (TDEP) method and classical molecular dynamics (MD) simulation with machine learning interatomic potential were able to reproduce the SH, and showed that SHG occurs with the flat transverse optical (TO) phonon branch. A classical model of a nonlinear medium explains the intensity and lifetime of the SH, compared to those of the TO modes. Also successful was a quantum model based on the Heisenberg-Langevin equation for interacting phonons coupled to a thermal bath, which also predicts a spectral distribution of the SH. In conclusion, the measured temperature dependence of the intensity of the second harmonic showed that it follows the Planck distribution of a one-phonon quasiparticle, and not two TO phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Determination of proton and neutron contributions to the 0$^+_{𝑔⁡𝑠}$ → 2$^+_{1}$ excitations in 42 Si and 44 S using inelastic proton scattering in inverse kinematics and intermediate-energy Coulomb excitation

Here, we have measured the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in the neutron-rich 𝑁 = 28 isotope 42 Si using the probes of intermediate-energy Coulomb excitation and inelastic proton scattering in inverse kinematics at the Facility for Rare Isotope Beams with beam particle rates of ≈ 5 particles/s. The results of these two measurements allowed us to determine 𝑀 𝑛 /𝑀 𝑝 , the ratio of the neutron and proton transition matrix elements for the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition. In addition, we have measured the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in the isotone 44 S using inverse kinematics inelastic proton scattering. By comparing the 44 S proton-scattering result with a recent intermediate-energy Coulomb excitation result on the same transition, we were able to determine 𝑀 𝑛 /𝑀 𝑝 for the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in this nucleus as well. This work strengthens the evidence that 42 Si has a stable quadrupole deformation in its ground state and that 44 S does not. Both conclusions are further supported by shell-model calculations carried out with the FSU interaction.

39 ≤ A ≤ 58↗