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DOE OSTI2025

Light control of intramolecular nuclear dynamics by vortex electron localization

In strong-field ionization of molecules, intense light pulses are thought to have a negligible direct influence on atomic nuclei. Molecular dissociation is thus expected to be determined by the geometrical configuration of the molecular ion at the ionization instant. Contrary to this picture, we observe a counterintuitive electron-proton angular correlation and the formation of proton vortices following strong-field ionization of H 2 molecules by bicircularly polarized two-color laser fields. We explain this phenomenon by the pathway interference and localization of the residual H 2 ⁡+ electron in different angular-momentum states formed in the tail of the driving laser pulse. We validate this interpretation by combining a quantum-mechanical numerical simulation of the field-driven coupled electronic-nuclear dynamics and a semiclassical-trajectory model for the phase accumulation of the laser-driven electronic-nuclear wave packet. Our joint experimental and theoretical study reveals a general picture of vortex electron localization which can be used for controlling molecular-bond breaking with circularly polarized laser fields.

Atomic & molecular processes in external fields↗

DOE OSTI2025

Dynamical control in a prethermalized molecular ultracold plasma: Local dissipation drives global relaxation

Prethermalization occurs as an important phase in the dynamics of isolated many-body systems when coupled degrees of freedom relax in a subspace separated from a state of complete thermodynamic equilibrium by a gap in energy or other conserved quantity. Slow equilibration from a prethermal phase can localize the dynamics of natural and model systems despite high dimensionality and limited disorder. Here, we report the signature of an enduring prethermal regime of arrested relaxation in the molecular ultracold plasma that forms following the avalanche of a state-selected Rydberg gas of nitric oxide. For a wide range of initial conditions, this system enters a critical phase in which a density of NO + and electrons balances a population of Rydberg molecules. Electron collisions mix orbital angular momentum, scattering Rydberg electrons to states of very high ℓ . The rapid predissociation of molecules in states of low- ℓ purifies this high- ℓ ensemble. The angular momentum barrier that separates NO + ions and electrons creates an extraordinary gap between the plasma states of n ≈ ℓ , with measured n > 200 and penetrating states of ℓ = 0 , 1 , and 2. Evolution to a statistically equilibrated state of N and O atoms cannot occur without Rydberg electron penetration, and this gap blocks relaxation for a millisecond or more. A weak radiofrequency (RF) field drives ℓ -mixing electron collisions that erase this gap, causing wholesale dissipation. Remarkably, a local quantum-state transition promoting an exceedingly small fraction of the molecules in the prethermalized ensemble to a predissociative state also acts with a global effect, driving the entire system to a dissipative equilibrium. Using the Lindblad master equation, we illustrate qualitatively similar dynamics for a toy model of an open quantum system that consists of a localized set of spins on which dissipation acts at a single site as a gateway to equilibrium. Published by the American Physical Society 2025

Wang, Ruoxi↗

DOE OSTI2026

Exploring composition mixing in kilonova ejecta with ray-by-ray simulations

Binary neutron star merger (BNSM) ejecta are considered a primary repository of r-process nucleosynthesis and a source of the observed heavy-element abundances. We implement composition mixing into ray-by-ray radiation-hydrodynamic simulations of BNSM ejecta, coupled with an online nuclear network (NN). We model mixing via a gradient-based mixing approximation that evolves simultaneously with the hydrodynamics. Here, we find that mixing occurs in regions where the electron fraction changes rapidly. While mixing smooths composition gradients in transition regions, it has a negligible impact on the heavy-element yields. This is because the primary r-process site (the equatorial ejecta) is initially homogeneous in free neutrons, leaving no strong gradients for mixing to act upon. In each angular ray, the abundances of the most produced elements are robust under mixing, while the less abundant ones are more affected. The total global abundances change only slightly from mixing, since each angular ray contributes its most abundant elements. Furthermore, the predicted kilonova light curves show only minor reddening, with differences below the detectability of state-of-the-art telescopes. In general, we do not observe significant effects from mixing in the time span of the r-process. Consequently, mixing only leads to minor variations in abundances and light curves in ray-by-ray simulations.

Explosive burning↗

DOE OSTI2025

Single-Shot Reconstruction of Electron Beam Longitudinal Phase Space in a Laser Wakefield Accelerator

We report on a single-shot longitudinal phase-space reconstruction diagnostic for electron beams in a laser wakefield accelerator via the experimental observation of distinct periodic modulations in the angularly resolved spectra. Such modulated angular spectra arise as a result of the direct interaction between the ultrarelativistic electron beam and the laser driver in the presence of the wakefield. A constrained theoretical model for the coupled oscillator, assisted by a genetic algorithm, can recreate the experimental electron spectra and, thus, fully reconstructs the longitudinal phase-space distribution of the electron beam with a temporal resolution of approximately 1.3 fs. In particular, it reveals the slice energy spread of the electron beam, which is important to measure for applications such as x-ray free electron lasers. In our experiment, the root-mean-square energy spread retrieved is bounded at 9.9 MeV, corresponding to a 0.9%–3.0% relative spread, despite the overall GeV energy beam having approximately 100% relative energy spread.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Universal CMB 𝐵-mode spectrum from early causal tensor sources

Many early Universe scenarios predict postinflationary tensor perturbations from causality-limited, subhorizon sources. While the microphysical details may be different, as long as these sources are bounded in duration and correlation length, their tensor power spectra exhibit a universal scaling behavior at small wave number: 𝒫 ℎ ⁡(𝑘)∝𝑘 3 , corresponding to white noise on superhorizon scales at the time of production. If these early causal tensor sources (ECTs) exclusively produce gravitational waves before redshift 𝑧 ∼10 5 , this scaling is realized on all of the scales observed in the CMB, and thus yields a universal multipole distribution for the 𝐵-mode angular power spectrum. Unlike the scale-invariant distributions of inflationary 𝐵 modes, ECTs generically predict enhanced power on small scales and suppressed power on large scales, which allows these source classes to be distinguished given measurements over a sufficient range of angular scales. In this paper, we introduce a unified framework for characterizing ECTs and demonstrate how their universal infrared scaling manifests in low-frequency observables, including CMB 𝐵 modes and stochastic gravitational wave spectral densities. We illustrate this mapping with representative case studies of this universality class involving first-order phase transitions, topological defects, and enhanced scalar perturbations, which source tensor modes at second order in perturbation theory.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Investigation of 31 P levels near the proton threshold with nuclear resonance fluorescence and the impact on the 30 Si (𝑝,𝛾)⁢ 31 P thermonuclear rate

We investigated the nuclear structure of 31 P near the proton threshold using nuclear resonance fluorescence (NRF) to refine the properties of key resonances in the 30 Si (𝑝,𝛾)⁢ 31 P reaction, which is critical for nucleosynthesis in stellar environments. Excitation energies and spin-parities were determined for several states, including two unobserved resonances at 𝐸 𝑟 = 18.7keV and 𝐸 𝑟 = 50.5keV. The angular correlation analysis enabled the first unambiguous determination of the orbital angular momentum transfer for these states. These results provide a significant update to the 30 Si (𝑝,𝛾)⁢ 31 P thermonuclear reaction rate, with direct implications for models of nucleosynthesis in globular clusters and other astrophysical sites. The revised rate is substantially lower than previous estimates at temperatures below 200 MK, affecting predictions for silicon isotopic abundances in stellar environments. Furthermore, our work demonstrates the power of NRF in constraining nuclear properties, and provides a framework for future studies of low-energy resonances relevant to astrophysical reaction rates.

20 ≤ A ≤ 38↗

DOE OSTI2025

Experimental study of 53 Cr via the (𝑑, 𝑝⁢𝛾) reaction

Excited states in 53 Cr were studied via the 52 Cr ⁢(𝑑, 𝑝⁢𝛾) reaction up to the neutron-separation threshold. Proton-𝛾 angular correlations and 𝛾 decay branching ratios were measured in particle-𝛾 coincidences between the Super-Enge Split-Pole Spectrograph (SE-SPS) and CeBr 3 Array (CeBrA) demonstrator of the John D. Fox Accelerator Laboratory at Florida State University. Previous spin-parity assignments from a (𝑑,𝑝) singles experiment at the SE-SPS are supported and 𝛾-ray transitions in 53 Cr are reported. We firmly assign higher-lying excited states to 53 Cr because overlapping excited states and contaminants could be identified better due to the complementary 𝛾-decay information. We also correct some of the previously reported excitation energies and present a reanalysis of previously measured 52 Cr (𝑑, 𝑝)⁢ 53 Cr angular distributions guided by the complementary 𝛾-ray information. Based on this reanalysis, the fragmentation of the neutron 2⁢𝑝 3/2 , 2⁢𝑝 1/2 , 1⁢𝑓 5/2 , 1⁢𝑔 9/2 , and 2⁢𝑑 5/2 single-particle strengths is reassessed for 53 Cr. Here, a comparison to the corresponding strengths in 55 Fe is presented.

39 ≤ A ≤ 58↗

DOE OSTI2025

Systematic study of the validity of the eikonal model including uncertainties

Nuclear reactions at intermediate beam energies are often interpreted using the eikonal model. In the analysis of complex reaction probes, where few-body reaction methods are needed, the eikonal method may be used as an efficient way for describing the fragment-target reaction process. In this work, we perform a systematic study to test the validity of the eikonal approximation for nucleon-nucleus reactions. We also quantify uncertainties due to the nucleon optical potential on reaction observables. We inspect the validity of the eikonal model and its semiclassical correction by comparing it to exact solutions (obtained from solving the optical-model equation with a finite-differences method) for a wide range of reactions. We also study the effect of relativistic corrections, both kinematic and dynamic, by effectively incorporating the relativistic effects at intermediate energies. The uncertainties from a Bayesian global optical potential (KDUQ) are propagated to the observables of interest. Our study includes neutron and proton reactions on 27 Al , 40 Ca , 90 Zr , and 208 Pb , for a wide range of energies 𝐸 lab = 0–400 MeV. We calculate neutron-total cross sections (elastic and reactions) as well as proton-absorption cross sections as a function of beam energy, using the eikonal model, the eikonal model with a semiclassical correction, and the exact solution. Here, we also compute angular distributions for the methods above. Our results show that for the proton-absorption cross section, the eikonal model can be used down to around 60 MeV and the semiclassical correction extends its use to 30 MeV. However, the validity of the eikonal model for the neutron-total cross section only goes down to ≈120 MeV, a range extended to ≈ 50 MeV when using the semiclassical correction. We find the semiclassical correction to the eikonal model to be less effective in describing the angular distributions. The 1⁢𝜎 uncertainty intervals on the observables we studied is less than 5% for most of the energies considered, but increases rapidly for higher energies, namely energies outside the range of KDUQ (𝐸 lab > 200MeV).

Cluster models↗

DOE OSTI2025

Analyzer-based X-ray phase contrast imaging using the forward-diffracted o-beam in a few-millimetre-thick Bragg-case asymmetrically cut crystal

An analyzer-based X-ray phase contrast imaging experiment employing the forward-diffracted o-beam in a few-millimetre-thick Bragg-case asymmetrically cut analyzer crystal has been implemented and tested in a geometry similar to that used in conventional radiography. The high angular stability requirements were overcome using specially designed crystals and a closed-loop feedback intensity system, monitoring the intensity of the diffracted h-beam. Analyzer-based images (ABis) taken at different angular positions on the forward-diffracted o-beam rocking curve show different contrasts, as expected. However, the ABis did not show sharp borders. This was closely investigated by X-ray topography and Δ d / d mapping and was attributed to the stresses caused by the analyzer crystal's own weight in the bulk. Further investigation of the crystal design using finite element analysis coupled with dynamical theory of X-ray diffraction is envisaged.

Honnicke, Marcelo Goncalves (ORCID:000000033276432↗

DOE OSTI2025

A Novel Approach for Computing Rigid Body Motion Using Linear Accelerations

Here, a novel approach is presented for computing general rigid body motion based on a few known linear accelerations. This method utilizes linear acceleration data obtained from three distinct points on the body, all within a body-fixed reference frame. The only requirement is that the three chosen points must not be collinear. A system of differential-algebraic equations is derived, combining principles of rigid body kinematics with theory of the rotation group SO(3). These equations provide a framework for numerically computing various motion parameters, including angular velocity, angular acceleration, body orientation, velocity field, acceleration field, and displacement field. By numerically solving this system of equations, we can fully characterize rigid body motion in three-dimensional space. A numerical example is provided to demonstrate the practical implementation and efficacy of the proposed technique, illustrating its potential for accurate motion computation in various applications.

42 ENGINEERING↗

DOE OSTI2024

Test and characterization of finely segmented pixel CZT detectors for future hard x-ray missions

The NuSTAR (Nuclear Spectroscopic Telescope Array) mission was launched in 2012, and it has successfully deployed the first orbiting telescopes to focus high energy X-ray (3 - 79 keV) light, providing a wealth of new information on high-energy X-rays sources. Follow-up missions, such as the proposed HEX-P, BEST, and FORCE, could perform a deeper black hole census providing a more refined measurement of black hole spins, allowing for greater knowledge about supermassive black holes. Here, these missions are motivated by the recent breakthroughs in the hard X-ray mirror technologies, where mirrors, either made of monolithic silicon segments, or made directly or via replication of shells, demonstrate the feasibility of making hard X-ray mirrors with angular resolutions of 5-10 arc-seconds Half Power Diameter (HPD) compared to the NuSTAR’s 1 arc-minute HPD. Such a high angular resolution requires matched detectors with higher degree of segmentation to fully benefit from the achievable improved spatial resolution. In the above framework, the HEXID ASIC, a novel pixelated front-end suitable for reading out a finely segmented CZT sensor with 150 μm pixel pitch in a hexagonal arrangement has been developed. This readout pixelated chip is capable of processing photon-generated charge packets over a large dynamic range (from 2 keV up to 180 keV), while keeping a low input noise (ENC <20 e - ). In this work, the initial characterization of the ASIC prototype will be presented.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Polarization observables in double neutral pion photoproduction

Abstract Measurements of target asymmetries and double-polarization observables for the reaction "Equation missing"<#comment/>are reported. The data were taken with the CBELSA/TAPS experiment at the ELSA facility (Bonn University) using the Bonn frozen-spin butanol ($$\hbox {C}_4\hbox {H}_9$$ C 4 H 9 OH) target, which provided transversely polarized protons. Linearly polarized photons were produced via bremsstrahlung off a diamond crystal. The data cover the photon energy range from "Equation missing"<#comment/>to "Equation missing"<#comment/>and nearly the complete angular range. The results have been included in the BnGa partial wave analysis. Experimental results and the fit agree very well. Observed systematic differences in the branching ratios for decays of "Equation missing"<#comment/>and$${\varDelta ^*}$$ Δ ∗ resonances are attributed to the internal structure of these excited nucleon states. Resonances which can be assigned to SU(6)$$\times $$ × O(3) two-oscillator configurations show larger branching ratios to intermediate states with non-zero intrinsic orbital angular momenta than resonances assigned to one-oscillator configurations.

Physics↗

DOE OSTI2024

New procedure for evaluation of U(3) coupling and recoupling coefficients

A simple method to calculate Wigner coupling coefficients and Racah recoupling coefficients for U(3) in two group–subgroup chains is presented. While the canonical U(3) coupling and recoupling coefficients are applicable to any system that respects U(3) symmetry, the U(3) coupling coefficients are more specific to nuclear structure studies. This new procedure precludes the use of binomial coefficients and alternating sums which were used in the 1973 formulation of Draayer and Akiyama, and in so doing provides a faster and more accurate determination of any and all required results. The resolution of the outer multiplicity is based on the null space concept of the U(3) generators proposed by Alex et al., whereas the inner multiplicity in the angular momentum subgroup chain is obtained from the dimension of the null space of the SO(3) raising operator. It is anticipated that a C++ library will ultimately be available for determining generic coupling and recoupling coefficients associated with both the canonical and the physical group–subgroup chains of U(3).

Cross-Coupling Reaction↗

DOE OSTI2026

Evaluating multi-slice ptychography tomography for X-ray imaging

X-ray ptychography typically relies on single-slice reconstruction approaches that assume minimal beam propagation through the specimen. However, this approximation breaks down for thick samples or when using high numerical aperture optics, leading to reconstruction artifacts due to multiple scattering. Multi-slice ptychographic tomography (MSPT) addresses this limitation by explicitly modeling beam propagation through the specimen while reducing angular sampling requirements for tomography, but its performance depends critically on reconstruction parameters and experimental conditions. Here, we systematically evaluate MSPT using numerical simulations and experimental X-ray datasets to understand how factors such as object thickness, optical parameters, and initialization strategies affect reconstruction accuracy. We demonstrate that informed object initialization significantly improves depth resolution and enables accurate projection extension, reducing the angular sampling requirements for tomographic reconstruction. Experimental demonstration confirms that MSPT produces reconstructions with reduced artifacts, establishing it as a robust approach for nanoscale imaging at modern synchrotron facilities.

Luktuke, Amey [Argonne National Laboratory (ANL), ↗

DOE OSTI2026

Medium- and Heavy-Duty Truck Duty Cycles

This dataset provides second-by-second duty cycle data for Class 6 and Class 8 diesel trucks in Texas, including key vehicle metrics, engine-related data, and GPS data (excluding GPS latitude and longitude to ensure confidentiality). The data were collected via tablets installed on the trucks and organized into daily datasets, each associated with a unique vehicle ID and date. There are 12 daily datasets for Class 6 diesel trucks (three unique vehicle IDs) and 43 daily datasets for Class 8 diesel trucks (six unique vehicle IDs). The units associated with each column are included in the name. The engine performance data include columns such as engine speed, engine percent torque, and engine fuel rate. Road grade (%/100) was estimated using the GPS altitude and wheel-based vehicle speed, which is used as an input for FASTSim. Cumulative distance was also calculated using the wheel-based vehicle speed. Additional columns include: - Engine Speed (RPM): Removed inaccurate readings and used to calculate angular velocity (radians/second). - Torque (N·m): Calculated using engine percent torque, nominal friction percent torque, and engine reference torque values (those columns were removed from dataset), then normalized to express as torque (%). - Flywheel Power (%): Calculated using the angular velocity and torque (in kW), then normalized as a percentage of the maximum value. - Engine Fuel Rate (%) and Torque (%): Both metrics were normalized by dividing by their respective maximum values within each dataset to express them as percentages. The datasets were analyzed to assess the energy impact of various driving behaviors, simulate energy efficiency, and recommend optimal routes for diesel trucks using NLR’s tool called RouteE. For driver coaching, factors like speed and acceleration limits were considered, and idle periods were reduced (assuming the engine was off during idling) to adjust each drive cycle. These adjusted drive cycles were then simulated in FASTSim to evaluate their effect on fleet energy consumption and estimate potential energy savings. The original cycles are available for download on this page ![image](CoVaR_Image_for_Data_Page_Kenworth_Truck.jpg)

1Hz↗

DOE OSTI2025

High-Spectral Resolution Lidar (HSRL) Instrument Handbook

High-spectral-resolution lidar (HSRL) systems provide vertical profiles of optical depth, backscatter cross-section, depolarization, and backscatter phase function. All HSRL measurements are calibrated by reference to molecular scattering, which is measured at each point in the lidar profile. Like the Raman lidar (RL), but unlike simple backscatter lidars such as the micropulse lidar (MPL), this enables the HSRL to measure backscatter cross-sections and optical depths without prior assumptions about the scattering properties of the atmosphere. The depolarization observations allow robust discrimination between ice and water clouds. Rigorous error estimates can be computed for all measurements. A very narrow angular field of view reduces multiple scattering contributions. The small field of view, coupled with a narrow optical bandwidth, nearly eliminates noise due to scattered sunlight. The laser transmitter is a diode-pumped, frequency-doubled Nd:YAG laser. Narrow-band, single-frequency operation is provided by injection seeding with a single-frequency, cw-diode-pumped diode laser. The main laser cavity is maintained in resonance with the seed laser by adjusting the cavity length to minimize the time between the Q-switch trigger and the emission of the laser pulse. The emission wavelength is tuned via temperature control of the seed laser crystal and is locked to line #1109 of the iodine absorption spectra. Locking is accomplished by minimizing the transmission through a 2-cm-long iodine absorption cell. Use of a high-repetition-rate laser and expansion of the transmitted beam through a 400-mm telescope reduces the transmitted energy density to eye-safe levels. It is possible to look directly into the output beam without hazard. The receiver and transmitter use the same afocal telescope, simplifying the maintenance of stable alignment of the transmitter and receiver although the angular FOV is only 100 μrad. The small FOV and the 4-kHz repetition rate also limit the near-field signal strength, making it possible to record continuous profiles that start at an altitude of ~100 m and extend to 30 km using photon counting detectors. The small FOV also suppresses multiple scattering contributions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Manipulation of Geographic Information in Global Seismology

Geographic data, such as seismic event locations, station locations, etc., are generally given in geographic latitude Φ ’, longitude θ , and depth below sea level, ζ , using the WGS84 ellipsoid as a reference. In software systems that use this type of geographic data, it is necessary to manipulate the data mathematically in order to perform such tasks as finding the angular distance or azimuth from one point to another, to find an array of points along a great circle, to rotate a point about a pole of rotation, to move a point some angular distance in a specified direction, to find the intersections of two great circles or to find the intersections of a great circle and a small circle. In this paper, equations are presented that convert geographic locations first to geocentric coordinates and then to Earth-centered Cartesian coordinates where many mathematical manipulations can be performed conveniently and efficiently.

58 GEOSCIENCES↗

DOE OSTI2024

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗