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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 OSTI2026

Particle Acceleration and Pitch-angle Evolution in Relativistic Turbulence

Synchrotron radiation detected from relativistic astrophysical objects such as pulsar-wind nebulae and jets from active galactic nuclei depends on the magnetic fields and the distribution functions of energetic electrons in these systems. Relativistic magnetically dominated turbulence has been recognized as an efficient mechanism for structure formation and nonthermal particle acceleration in these environments. Recent numerical simulations of relativistic turbulence have provided insights into the energy distribution functions of accelerated electrons. Much less is currently understood about their pitch angle distributions, which are crucial for accurately interpreting the spectra of synchrotron radiation. We perform a detailed case study of the pitch angle distributions formed during the process of turbulent acceleration for B 0 /δB 0 = 10 and $\tilde{σ}$ 0 ~40, where B0 is the uniform component of the magnetic field, δB0 is the fluctuating component, and $\tilde{σ}$ 0 is the plasma magnetization based on the magnetic fluctuations. We find that even minimal numerical noise can cause substantial pitch angle scattering, but we demonstrate techniques for overcoming the numerical challenges associated with the evolution of very small pitch angles. Our numerical results are consistent with the phenomenological considerations found in C. Vega et al. (2024a, 2025).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Efficient analysis of small-angle scattering curves for large biomolecular assemblies using Monte Carlo methods

Structure elucidation from small-angle scattering curves of large biomolecular assemblies is notoriously challenging. This is because the simulation of high-resolution features in the structure of large macromolecular assemblies, such as de novo protein assemblies, is computationally demanding when it needs to cover a broad range of length scales. Conventional methods, such as the numerical approximation to the Debye equation or the use of spherical harmonics, do not scale well as the size of the assembly increases, which limits their application to small structures (e.g. individual proteins). This work explores the effectiveness of a Monte Carlo method to simulate and fit scattering curves for large biomolecular assemblies spanning over ranges covering atomic and molecular detail (e.g. spacing and orientation of proteins in an assembly) as well as large-scale (hundreds of nanometres) features. Owing to its speed and scalability, it can be combined with a fitting algorithm to extract structural features from experimental small-angle scattering curves in biomolecular assemblies that are otherwise intractable for interpretation. This work first demonstrates the effectiveness of the tool using experimental small-angle X-ray scattering (SAXS) data from tile-like proteins that assemble into 1D tube-like macromolecular structures. Here, the diameter distribution of tubes is extracted from SAXS fits, and this is quantitatively compared with distributions from electron microscopy. SAXS data are also obtained from 2D sheet-like protein assemblies, and the proposed method is used to quantify structural features such as the separation distance between protein building blocks and the flexing of the sheet. An open-source implementation of the methodology is provided for use in a broad range of biological systems involving multi-scale scattering analysis.

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

Exploring small-angle emissions in charm quark jets in proton-proton collisions at $\sqrt{s}=5.02$ TeV

A measurement of the angular structure of inclusive jets and those containing a prompt D 0 meson in proton-proton collisions at the LHC at a center-of-mass energy of 5.02 TeV is presented. The data corresponding to an integrated luminosity of 301 pb −1 were collected by the CMS experiment in 2017. Two jet grooming algorithms, late-k T and soft drop, are used to study the intrajet radiation pattern using iterative Cambridge-Aachen declustering. The splitting-angle distributions of jets with transverse momentum (p T ) of around 100 GeV, obtained with these two algorithms, show that there is a shift of the distribution for jets containing a prompt D 0 meson with respect to inclusive jets. The suppression of emissions at small angles observed in the late-k T grooming approach is consistent with the dead-cone effect, whereas the similar suppression for splittings selected with the soft-drop algorithm appears to be induced by gluon splitting to charm quark-antiquark pairs at large angles. The measured distributions are corrected to the particle level and can be used to constrain model predictions for the substructure of high-p T charm quark jets.

Charm Physics↗
DOE OSTI2025

Exact Ground State of Interacting Electrons in Magic Angle Graphene

One of the most remarkable theoretical findings in magic angle twisted bilayer graphene (TBG) is the emergence of ferromagnetic Slater determinants as exact ground states for the interacting Hamiltonian at the chiral limit. This discovery provides an explanation for the correlated insulating phase which has been experimentally observed at half filling. This work is the first mathematical study of interacting models in magic angle graphene systems. These include not only TBG but also TBG-like systems featuring four flat bands per valley, and twisted trilayer graphene systems with equal twist angles. We identify symmetries of the chiral limit of the Bistritzer-MacDonald Hamiltonian that are responsible for characterizing the Hartree-Fock ground states as zero energy many-body ground states. Furthermore, for a general class of Hamiltonian, we establish criteria that the ferromagnetic Slater determinants are the unique ground states within the class of uniformly half-filled, translation invariant Slater determinants. We then demonstrate that these criteria can be explicitly verified for TBG and TBG-like systems at the chiral limit, using properties of Jacobi-θ$${\theta }$$ and Weierstrass-℘$${\wp }$$ functions.

Becker, Simon↗
DOE OSTI2024

Tuning Perovskites’ Hydration-Induced Chemical Expansion with Octahedral Tilt Angles

Hydration-induced strains in proton-conducting oxides compromise chemo-mechanical stability when these materials are applied in protonic ceramic electrochemical cells. Here, to develop design principles for zero-strain materials, we systematically studied the hydration coefficients of chemical expansion (CCEs) in perovskite (Sr, Ba)(Ce, Zr, Y)O 3–x solid solutions with in situ dilatometry and thermogravimetric analysis in the range of 430–630 °C. By including and decoupling a wide range of tolerance factors and lattice parameters, we were able to identify a minimum in hydration CCEs (0–0.02) at intermediate tolerance factor values (t ≈ 0.95). Conversely, despite expectations of lower CCEs in larger unit cells, no general trend in CCE versus lattice parameter was found, and opposite trends could be seen for Sr(Ce, Zr, Y)O 3–x versus Ba(Ce, Zr, Y)O 3–x separately. In situ neutron diffraction (ND) enabled atomistic insight. Upon decreasing t, chemical strain anisotropy increased, but this trend did not match the U-shaped dependence of macroscopic CCEs on t. Instead, perovskites with intermediate t, hosting intermediate octahedral tilt angles in the nominally dry state, underwent the largest change in the B–O–B angles during hydration. Accommodating hydration through decreasing B–O–B angles is beneficial because it does not result in large lattice parameter changes. We propose an intermediate tolerance factor as a simple structural descriptor to enable near-zero hydration strains in proton-conducting perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strong electron–phonon coupling in magic-angle twisted bilayer graphene

The unusual properties of superconductivity in magic-angle twisted bilayer graphene (MATBG) have sparked considerable research interest. However, despite the dedication of intensive experimental efforts and the proposal of several possible pairing mechanisms, the origin of its superconductivity remains elusive. Here, by utilizing angle-resolved photoemission spectroscopy with micrometre spatial resolution, we reveal flat-band replicas in superconducting MATBG, where MATBG is unaligned with its hexagonal boron nitride substrate. These replicas show uniform energy spacing, approximately 150 ± 15 meV apart, indicative of strong electron–boson coupling. Strikingly, these replicas are absent in non-superconducting twisted bilayer graphene (TBG) systems, either when MATBG is aligned to hexagonal boron nitride or when TBG deviates from the magic angle. Calculations suggest that the formation of these flat-band replicas in superconducting MATBG are attributed to the strong coupling between flat-band electrons and an optical phonon mode at the graphene K point, facilitated by intervalley scattering. These findings, although they do not necessarily put electron–phonon coupling as the main driving force for the superconductivity in MATBG, unravel the electronic structure inherent in superconducting MATBG, thereby providing crucial information for understanding the unusual electronic landscape from which its superconductivity is derived.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

1D model of SOL with self consistent calculation of non-coronalradiation and applications to shallow field line angles

A 1D model of the scrape off layer (SOL) is created with a physics based calculation of the impurity radiation and the inclusion of the perpendicular heat flux q ⊥ compared to previous 1D models. The calculation of the impurity radiation includes the addition of a model using parallel and perpendicular motion to calculate the impurity confinement time τ and the inclusion of charge exchange between neutral hydrogen and impurity ions. Reasonable agreement is found between the model and the 2D fluid code SOLPS-ITER. Additionally, an improvement is shown over the constant τ used in previous works The model is used to examine the effects of shallow field line angles at ITER levels of parallel heat flux (q || ). A large increase in radiation results in an increase in the upstream parallel heat flux which can still be in detachment at shallow field line angles for both q ⊥ and the calculated τ for traditional impurities (argon and nitrogen) as well as boron. The physics behind this increase in radiation at shallow field line angles is shown to be a decrease in τ and a change in the temperature profile with the inclusion of q ⊥ .

ITER↗
DOE OSTI2026

Constraints on the polarization angle oscillations of the Crab Nebula with the Simons Array and its applications to the search for axionlike particles

Here, we present a search for polarization oscillation of the Crab Nebula, also known as Tau A, at millimeter wavelengths using observations with the Simons Array, the successor experiment to POLARBEAR. We follow up on previous work by POLARBEAR using 90 GHz band data of the 2023 observing season of the Simons Array to evaluate the variability of Tau A’s polarization angle. Tau A is widely used as a polarization angle calibration source in millimeter-wave astronomy, and thus it is necessary to validate the stability. Additionally, an interesting application of the time-resolved polarimetry of Tau A is to search for axionlike particles (ALPs). We do not detect a global signal across the frequencies considered in this analysis and place a median 95% upper bound of polarization oscillation amplitude A < 0.12° over oscillation frequencies from 3.39 yr -1 to 1.50 day -1 . This constrains the ALP-photon coupling at a median 95% upper bound of g aγγ < 3.84 × 10 -12 × (m a /10 -21 eV) in the mass range from 4.4 × 10 -22 to 7.2 × 10 -20 eV, assuming the ALP constitutes all of dark matter, its field is a stochastic Gaussian field, and it is the sole source of Tau A’s polarization angle oscillation. Additionally, we do not detect signal at the frequencies where 2.5σ hints were previously reported by POLARBEAR, but we do not exclude these signals at the 95% confidence level.

Adkins, Tylor [University of California, Berkeley]↗
DOE OSTI2024

Simultaneous extraction of the weak radius and the weak mixing angle from parity-violating electron scattering on 12 C

We study the impact of nuclear structure uncertainties on a measurement of the weak charge of 12 C at the future Mainz Energy Recovering Superconducting Accelerator (MESA) facility in Mainz. Information from a large variety of nuclear models, accurately calibrated to the ground-state properties of selected nuclei, suggest that a 0.3% precision measurement of the parity-violating asymmetry at forward angles will not be compromised by nuclear structure effects, thereby allowing a world-leading determination of the weak charge of 12 C . Furthermore, we show that a combination of measurements of the parity-violating asymmetry at forward and backward angles for the same electron-beam energy can be used to extract information on the nuclear weak charge distribution. We conclude that a 0.34% precision on the weak radius of 12 C may be achieved by performing a 3% precision measurement of the parity-violating asymmetry at backward angles.

Electroweak interaction↗
DOE OSTI2025

Time-refraction near the critical angle and angular streaking with attosecond resolution [Invited]

We study the time-refraction of optical waves as they propagate through a time-varying slab and find the frequency shift associated with the abrupt change in the refractive index. We discover a geometrical mechanism responsible for an ultrafast blueshift followed by a redshift, occurring while the refractive index is increased monotonically. Furthermore, we find high sensitivity to incident angles near the traditional critical angle and unravel a new critical angle that varies in time. Finally, we introduce an innovative concept of a streak camera design that utilizes ultrafast nonlinearities in time-varying media and offers attosecond resolution capabilities.

Fruhling, Colton (ORCID:0000000282968802)↗
DOE OSTI2024

Impact of Pressure-Dependent Interfacial Tension and Contact Angle on Capillary Heterogeneity Trapping of CO2 in Storage Aquifers

Summary Carbon dioxide (CO2) capillary trapping increases the total amount of CO2 that can be effectively immobilized in storage aquifers. This trapping, manifesting itself as accumulated CO2 columns at a continuum scale, is because of capillary threshold effects that occur below low-permeability barriers. Considering that capillary pressure is dictated by heterogeneous pore throat size, the trapped CO2 column height and associated CO2 saturation will vary spatially within a storage aquifer. This variation will be influenced by two pressure-dependent interfacial parameters—CO2/brine interfacial tension (IFT) and CO2/brine/rock contact angle. Our objective is to understand how the pressure dependence of these two parameters affects the heterogeneity of capillary trapped CO2 at a continuum scale. Our conceptual model is a 1D two-zone system with the upper zone being a flow barrier (low permeability) and the lower zone being a flow path (high permeability). The inputs to this model include microfacies-dependent capillary pressure vs. saturation curves and permeability values. The input capillary pressure curves were collected in the literature that represents carbonate microfacies (e.g., dolograinstone) in a prevalent formation in the Permian Basin. We then used the Leverett j-function to scale the capillary pressure curve for the two zones that are assigned with the same or different microfacies. During scaling, we considered the influence of pressure on both the IFT and contact angle of CO2/brine/dolomite systems. We varied the zone permeability contrast ratio from 2 to 50. We then assumed capillary gravity equilibriums and calculated the CO2 saturation buildup corresponding to various trapped CO2 column heights. The CO2 saturation buildup is defined as the CO2 saturation in the lower layer minus that in the upper one. We found that the saturation buildup can be doubled when varying pressure in a storage aquifer, after considering pressure-dependent IFT and contact angles. Thus, assuming these two parameters to be constant across such aquifers would cause large errors in the quantification of capillary trapping of CO2. The whole study demonstrates the importance of considering pressure-dependent interfacial properties in predicting the vertical distribution of capillary trapped CO2. It has important implications in developing a better understanding of leakage risks and consequent storage safety.

Engineering↗
DOE OSTI2024

Open-Source Data Analysis Tool for Spectral Small-Angle X-ray Scattering Using Spectroscopic Photon-Counting Detector

Spectral small-angle X-ray scattering (sSAXS) is a powerful technique for material characterization from thicker samples by capturing elastic X-ray scattering data in angle- and energy-dispersive modes at small angles. This approach is enabled by the use of a 2D spectroscopic photon-counting detector that provides energy and position information of scattered photons when a sample is irradiated by a polychromatic X-ray beam. Here, we describe an open-source tool with a graphical interface for analyzing sSAXS data obtained from a 2D spectroscopic photon-counting detector with a large number of energy bins. The tool takes system geometry parameters and raw detector data to output 1D scattering patterns and a 2D spatially-resolved scattering map in the energy range of interest. We validated these features using data from samples of caffeine powder with well-known scattering peaks. This open-source tool will facilitate sSAXS data analysis for various material characterization applications.

Chemistry↗
DOE OSTI2024

Measuring the weak mixing angle at SBND

The weak mixing angle provides a sensitive test of the Standard Model. We study SBND's sensitivity to the weak mixing angle using neutrino-electron scattering events. We perform a detailed simulation, paying particular attention to background rejection and estimating the detector response. We find that SBND can provide a reasonable constraint on the weak mixing angle, achieving 8% precision for $10^{21}$ protons on target, assuming an overall flux normalization uncertainty of 10%. This result is superior to those of current neutrino experiments and is relatively competitive with other low-energy measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurement of the weak mixing angle at 13 TeV with the CMS detector

This document summarizes work in experimental high-energy physics completed as part of the author’s doctoral studies. The central piece of this thesis is the precision measurement of the effective weak mixing angle at the CMS detector. The effective weak mixing angle is a key parameter in the standard model of particle physics and is sensitive to radiative corrections from beyond standard model physics. The measurement is made by using the forward backwards asymmetry of Drell-Yan dilepton pairs. The data is from proton proton collisions at √s =13 TeV collected in Run 2 of the LHC from 2016-2018. The measurement uses dimuon and dielectron pairs and includes a special class of forward electrons developed for this measurement that do not rely on the tracking subdetector. Using the CT18Z parton distribution function set the weak mixing angle was determined to be [equation did not render] The largest contribution to the uncertainty comes from the parton distribution functions.

Taus, Rhys [Rochester U.]↗
DOE OSTI2024

Evaluation of average leaf inclination angle quantified by indirect optical instruments in crop fields

Average leaf inclination angle ($\overline{θ}$ L ) is an important canopy structure variable that influences light regime, photosynthesis, and evapotranspiration of plants. $\overline{θ}$ L can be measured through direct methods (e.g., protractor), which are labor-intensive and time-consuming, or through indirect optical instruments, which are more efficient than the direct methods. However, uncertainties of different indirect optical instruments for quantifying $\overline{θ}$ L remain largely unquantified. In this study, we evaluated and compared the performances of three major indirect optical instruments: (1) LAI-2200, (2) 30°-tilted camera, and (3) digital hemispherical photography (DHP), in different crop fields over a growing season, benchmarked with direct measurements. LAI-2200 and 30°-tilted camera showed higher agreement with direct $\overline{θ}$ measurements (R 2 = 0.54, RMSE = 7.37°; R 2 = 0.58, RMSE = 8.08°) than DHP (R 2 = 0.14, RMSE = 13.96°). Different performances of indirect optical instruments could be attributed to the accuracy of gap fraction measurement and the performance of the $\overline{θ}$ L quantification algorithms. When using the LAI-2200 algorithm, larger gap fraction gradients over view zenith angles led to larger $\overline{θ}$ L values, and smaller gap fraction gradients led to smaller $\overline{θ}$ L values. Such error propagation was larger in sparse canopy than in dense canopy. The Wilson G function of the LAI-2200 algorithm performed better in estimating $\overline{θ}$ L than the G function based on the ellipsoidal LAD function used by the CAN_EYE algorithm. We also proposed a modification of the LAI-2200 algorithm, which further improved the performance of LAI-2200 and 30°-tilted cameras in estimating $\overline{θ}$ L . We envision that the low-cost 30°-tilted cameras provide a promising sensor solution to continuously monitor canopy structure for various ecosystems.

30°-tilted camera↗
DOE OSTI2025

Unlocking hidden information in sparse small-angle neutron scattering measurements

Hypothesis Small-Angle Neutron Scattering (SANS) is a powerful technique for studying soft matter systems such as colloids, polymers, and lyotropic phases, providing nanoscale structural insights. However, its effectiveness is limited by low neutron flux, leading to long acquisition times and noisy data. Here, we hypothesize that Bayesian statistical inference using Gaussian Process Regression (GPR) can reconstruct high-fidelity scattering data from sparse measurements by leveraging intensity smoothness and continuity. Experiments and Simulations The method was benchmarked computationally and validated through SANS experiments on various soft matter systems, including wormlike micelles, colloidal suspensions, polymeric structures, and lyotropic phases. GPR-based inference was applied to both experimental and synthetic data to evaluate its effectiveness in noise reduction and intensity reconstruction. Findings GPR significantly enhances SANS data quality and therefore reducing measurement times by up to two orders of magnitude. This cost-effective approach maximizes experimental efficiency, enabling high-throughput studies and real-time monitoring of dynamic systems. It is particularly beneficial for weakly scattering and time-sensitive studies. Beyond SANS, this framework applies to other low-SNR techniques, including laboratory-based small-angle X-ray scattering and various dynamical scattering methods. Furthermore, it offers transformative potential for compact neutron sources, enhancing their viability for structural analysis in resource-limited settings.

Small angle neutron scattering↗
DOE OSTI2025

Significant acceleration of solid-state NMR simulations via three-angle powder averaging

The anisotropic frequency shifts imparted onto the NMR resonance frequency depend on the spherical angular coordinates that describe the orientations of the NMR interaction tensors with respect to the applied magnetic field direction. Experiments performed using magic-angle spinning, however, gain a dependence on a third angle: the rotor phase γ. Traditionally, a carousel average is performed to integrate over γ, which leads to a slow convergence of intensities without contributing to the underlying powder patterns. Herein, we show an order of magnitude acceleration in computation time may be obtained by including the γ-averaging into the main powder average to eliminate redundant calculation of resonance frequencies.

magic-angle spinning↗
DOE OSTI2024

A tutorial on the micro-trench technique for incident ion angle, material erosion, and impurity deposition measurements at plasma-facing surfaces

The micro-trench method is a new technique to measure polar and azimuthal incident ion angles, material erosion, and impurity deposition at plasma-facing surfaces, and has been applied in the DIII-D divertor. This article gives a tutorial of the micro-trench technique consisting of six steps: (1) micro-trench fabrication, (2) pre-exposure measurement of the fabricated micro-trench geometry, (3) tracer material deposition, (4) plasma exposure, (5) post-exposure observation of the tracer material, and (6) post-exposure measurement of the micro-trench geometry. Two criteria need to be satisfied to apply the micro-trench method successfully: (i) uniform impurity deposition on the micro-trench floor, and (ii) erosion dominated by the physical sputtering induced by the impinging ions. Furthermore, when those two criteria are satisfied, post-exposure analysis of the impurity deposition patterns on the micro-trench floor may be used to determine the polar and azimuthal incident ion directions (mean values of the ion angle directions), erosion rate, and impurity deposition rate during plasma exposure without computational interpretation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗