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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Large radial shift experiments in RHIC and their implications for EIC design

The Hadron Storage Ring (HSR) in the future Electron-Ion Collider (EIC) must operate over a broad range of design circumferences. In 2018 preliminary beam studies on the circumference adjustment capabilities of the Relativistic Heavy Ion Collider (RHIC) were performed by applying a small momentum offset to the circulating bunches without adjusting any bending magnets. The off-momentum linear optics were corrected back to on-momentum conditions. Applying a similarly small deviation to the dipole fields of a select set of bending magnets provides a large radial shift over much of the RHIC (or HSR) circumference while leaving the design trajectory unchanged in the insertion regions. Here, this paper presents the design of the different lattice configurations foreseen as the most viable options for the required HSR circumference changes, and highlights the modifications necessary for regular operations and to allow for testing these new settings in RHIC. Experimental results from 2021 and 2022 are reviewed and compared to model predictions obtained from both MAD-X and Bmad. The implications of these results for HSR design are discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Reconstruction of Six-Dimensional Phase Space

A phase space is a mathematical representation of all possible physical states of a system. Particle beams at Fermilab exist within a six-dimensional (6D) phase space defined by three positional components, (x, y, z) and three momentum components, (px, py, pz). To reconstruct this space implies taking measurement data from detectors and mapping out particle behavior using computational methods. The beam detectors, however, are only able to detect spatial distribution among the events of the beam, therefore being limited to positional data. Also, due to the vast number of events in a particle beam, it is extremely difficult to analyze and differentiate every single one’s behavior. However, with Machine Learning (ML), which can distinguish between patterns and map out particle behavior more efficiently. We first used the particle beam software, G4beamline, to simulate a 10,000-event muon beam, adjusting parameters such as initial momentum magnitude (p¬0) and virtual detector position. Using ten virtual detectors, we analyzed p0 values such that minimum 9,990 events were analyzed by every detector. We then input the data from these beam simulations to a C++ program, that randomly selects 100 events, and creates a 2D histogram based on spatial distribution, detector position, and event intensity. This process is repeated 100 times to create 100 histograms per p0 value. These images were then input to a modified ResNet18 Convolutional Neural Network (CNN) for training, and to predict p0 from some unseen set of histograms. The model was accurate when trained on momentum increments of 5 MeV/c and provided with denser training samples around highly variable test values. These results displayed machine learning being able to accurately predict p0 from being trained on different particle behaviors.

Shirlee, Jermain [Fermilab]↗
DOE OSTI2021

Systematic Extraction of Pion Parton Distributions Using Threshold Resummation and Applications to Pion TMDs

Following our recent Monte Carlo determination of the pion?s PDFs from Drell-Yan (DY) and leading neutron electroproduction data from the Jefferson Lab Angular Momentum (JAM) collaboration, we extend the analysis by including effects from threshold resummation. At higher orders in the strong coupling, ?S, soft gluon emissions cause large logarithmic corrections, which become important in the qq¯ channel of the DY partonic cross section near threshold. These corrections can be summed over all orders of ?S. However, different prescriptions exist for how the threshold resummation is implemented, for instance, using varying levels of approximation in the Minimal Prescription with cosine, expansion, and double Mellin methods. We present the Monte Carlo results of the first simultaneous fit of the valence, sea, and gluon distributions in the pion taking into account the ambiguities in the resummation calculations. The wide ranges of valence distributions at large x and the effective behavior of the valence distribution as x approaches 1 is discussed. While the PDFs are extracted through collinear factorization, we additionally present a dedicated study to the low and large lepton pair transverse momentum distributions (TMDs) in the same DY experimental data. By adjusting the nonperturbative TMD components, we analyze the degree of compatibility between data and theory across all regions of transverse momentum dependence. We attempt to match the description of the low transverse momentum region using Collins-Soper-Sterman (CSS) formalism and the large transverse momentum region, which is best described using collinear factorization.

Sato, Nobuo↗
DOE OSTI2021

Ultrafast formation of domain walls of a charge density wave in SmTe 3

We study ultrafast x-ray diffraction on the charge density wave (CDW) of SmTe 3 using an x-ray free-electron laser. The high momentum and time resolution afforded by the x-ray laser enabled capturing fine wave-vector and time-dependent features of the CDW that originate from fast (in time) and sharp (in real space) variations of the CDW lattice distortion, which we attribute to an inversion of the order parameter. These domain inversions occur near the surface and are caused by the short penetration depth of the near-infrared pump with the wavelength centered at 800 nm, resulting in CDW domain walls perpendicular to the sample surface. These domain walls break the CDW long-range order on the scale of the x-ray probe depth, controlled experimentally by the x-ray incidence angle and suppress the diffraction intensity of the CDW for times much longer than the ~1–ps recovery of the electronic gap observed in time and angle-resolved photoemission spectroscopy. We model the spatial and temporal dependences of the order parameter using a simple Ginzburg-Landau model with all the parameters obtained from the published literature. We find reasonable agreement between the calculated and the measured diffraction across the momentum, time, fluence, and incidence angle dependence without adjusting any parameters. In conclusion, we reconstruct the spatial and temporal dependences of the lattice order parameter and find that at long times, depending on the pump fluence, multiple domain walls remain at distances of a few nanometers from the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Moment-preserving Monte-Carlo Coulomb collision method for particle codes

Binary-pairing Monte-Carlo methods are widely used in particle-in-cell codes to capture effects of small angle Coulomb collisions. These methods preserve momentum and energy exactly when the simulation particles have equal weights. However, when the interacting particles are of varying weight, these physical conservation laws are only preserved on average. Here, we 1) extend these methods to weighted particles such that the scattering physics is correct on average, and 2) describe a new method for adjusting the particle velocities post scatter to restore exact conservation of momentum and energy. In conclusion, the efficacy of the model is illustrated with various test problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

CICE on a C-grid: new momentum, stress, and transport schemes for CICEv6.5

Abstract. This article presents the C-grid implementation of the CICE sea ice model, including the C-grid discretization of the momentum equation, the boundary conditions (BCs), and the modifications to the code required to use the incremental remapping transport scheme. To validate the new C-grid implementation, many numerical experiments were conducted and compared to the B-grid solutions. In idealized experiments, the standard advection method (incremental remapping with C-grid velocities interpolated to the cell corners) leads to a checkerboard pattern. A modal analysis demonstrates that this computational noise originates from the spatial averaging of C-grid velocities at corners. The checkerboard pattern can be eliminated by adjusting the departure regions to match the divergence obtained from the solution of the momentum equation. We refer to this novel approach as the edge flux adjustment (EFA) method. The C-grid discretization with edge flux adjustment allows for transport in channels that are one grid cell wide – a capability that is not possible with the B-grid discretization nor with the C-grid and standard remapping advection. Simulation results match the predicted values of a novel analytical solution for one-grid-cell-wide channels.

Lemieux, Jean-François (ORCID:0000000320845759)↗
DOE OSTI2025

Extended flexibility of neutron Larmor diffraction for increased diffraction range in mosaicity measurements

Larmor diffraction (LD) is a neutron scattering technique that offers enhanced resolution by harnessing the Larmor precession of neutron spins in a magnetic field. By encoding subtle changes in neutron momentum transfer into significant alterations in the Larmor phase of neutron spins, LD can be employed to measure lattice expansion, lattice distortion, and mosaicity with exceptional resolution. As originally proposed by Rekveldt et al., LD necessitates the magnetic field boundaries to be tilted to be parallel to the crystal plane of interest. Here, this report explores the fundamental principles shared between LD and spin-echo small-angle neutron scattering (SESANS). Drawing inspiration from the flexibility of SESANS to adjust magnetic field boundaries to optimize the resolution in the measurement of the neutron momentum transfers q, we will demonstrate that the strict requirement of parallel alignment between the magnetic field boundaries and the crystal plane can be relaxed for the measurements of mosaicity. Such relaxation will expand the accessible diffraction angles for these situations that are highly constrained.

Larmor diffraction↗
DOE OSTI2025

Relativistic approach to manipulating angular distribution of charged particles via kinetic equations

Deflection angles of charged particles interacting with materials play a critical role in various plasma applications. The development of a mathematically well-posed kinetic collision operator that accounts for deflection angles of strong Coulomb interactions remains a fundamental open problem. This paper presents a relativistic method for modifying the electromagnetic field in an anisotropic and adjustable manner to manipulate a system of charged particles, specifically by the transfer of angular momentum from a superluminal wave source to particles at specific times and locations. The method provides a mechanism to influence the scattering outcomes of strong interactions by manipulating the angular distribution of particles, and thus the deflection angles of their interactions with a solid surface, without requiring detailed knowledge of the kinetic collision operator. To this end, we demonstrate how a specific type of singularity, generated by Maxwell's equations for a superluminal wave source at the boundary of the plasma, can modify the electromagnetic field in a highly directional manner. The proposed method can lead to the development of novel approaches for controlling interactions of charged particles with a material in plasma systems. Published by the American Physical Society 2025

Moini, Nima (ORCID:0009000929568824)↗
DOE OSTI2025

High order interpolation of magnetic fields with vector potential reconstruction for particle simulations

We propose a method for interpolating divergence-free continuous magnetic fields via vector potential reconstruction using Hermite interpolation, which ensures high-order continuity for applications requiring adaptive, high-order ordinary differential equation (ODE) integrators, such as the Dormand-Prince method. The method provides C(m) continuity and achieves high-order accuracy, making it particularly suited for particle trajectory integration and Poincaré section analysis under optimal integration order and timestep adjustments. Through numerical experiments, we demonstrate that the Hermite interpolation method preserves volume and continuity, which are critical for conserving toroidal canonical momentum and magnetic moment in guiding center simulations, especially over long-term trajectory integration. Furthermore, we analyze the impact of insufficient derivative continuity on Runge-Kutta schemes and show how it degrades accuracy at low error tolerances, introducing discontinuity-induced truncation errors. Lastly, we demonstrate performant Poincaré section analysis in two relevant settings of field data collocated from finite element meshes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Spectral distortions to momentum and scalar exchanges by non-turbulent motion and patchy landscape variability

Modifications to the spectra of turbulent velocity and scalars and co-spectra of vertical fluxes of momentum and scalars due to patchy landscape heterogeneity and non-stationarity are explored for a Mediterranean ecosystem. About 9 months of high frequency measurements of the three velocity components, water vapor concentration, carbon dioxide concentration, and air temperature were analyzed for different seasons (spring/summer) and prevalent wind directions (southeast/northwest). The two wind directions sampled a contrast of clumped and patchy landscape comprised of olive trees (southeast) and wall bounded flow disturbed by the presence of few upwind trees (northwest). The measured spectra and co-spectra were also compared to theoretical scaling forms from stationary, planar homogeneous flow, in the absence of subsidence as derived from the Kansas experiment. To assess the role of low frequency non-turbulent motion on the spectral and co-spectral content, a 5-min Fourier cutoff was introduced and the analysis was limited to near-neutral conditions where the boundary layer depth is shallow compared to its unstable counterpart. It was shown that the velocity statistics were not appreciably impacted by the low-frequency motion causing non-stationarity. Moreover, the turbulent scalar fluxes were also shown not to be significantly impacted by such low frequency motion. The scalar variances were impacted, especially the water vapor variance and its concomitant spectral shape. When the non-turbulent motion was filtered, the scalar spectra at low wavenumbers followed expectations from the so-called attached eddy hypothesis (i.e. exhibited a $k^{-1}_x$ scaling with $k_x$ defining the longitudinal wavenumber) applicable for near-neutral conditions. For momentum co-spectra, the canonical shapes from the Kansas experiment appear to describe well the measurements here and in both dominant directions and seasons with some adjustment to the integral time scales based on wind direction. For the scalar co-spectra, deviations from the Kansas experiment were prevalent. The most noticeable and surprising deviations were their slow decay with increased sampling frequency at inertial subrange scales. This slow decay was shown not to contribute appreciably to the overall scalar fluxes. At those fine scales, predictions from local isotropy were expected to hold. The scalar co-spectral deviations from local isotropy were then discussed using a simplified co-spectral budget model where scalar–scalar co-spectra naturally emerged and the interplay between landscape heterogeneity and a scale-dependent pressure-scalar de-correlation time was postulated. It is also envisaged that the findings here offer a preliminary template for analyzing eddy-covariance data in situations that deviate from ideal conditions, especially regarding low-frequency modulations of scalar spectra and vertical scalar flux co-spectra.

Canopy turbulence↗
DOE OSTI2020

Summary of Results for Idaho Accelerator Center (IAC) Experiments with Compact Electron Permanent Magnet Spectrometer (CEPMS)

The Compact Electron Permanent Magnet Spectrometer (CEPMS) shown in Figure 2 consists of collimation at the electron beam entrance, a vacuum chamber for beam transport and a removable 60 degree sector magnet constructed by SABR Enterprises (Ref 2) that is used to momentum analyze the incoming electron beam. There are electron detection planes located perpendicular to straight through and the 60 degree trajectory ports. The planes are designed to accept phosphor screens for time integrated measurements. The screens can be replaced by scintillator for time resolved measurements using gated or streak cameras. The length of the spectrometer along the beamline without the collimator is about 400mm (14”). The spectrometer requires no power supply with controls for cycling or cooling for the magnet. The entire assembly, with magnet installed, weighs about 35kg (75lbs) Figure 3 depicts central and extreme trajectories through the spectrometer for various electron energies. The chamber accommodates a +/-50mm wide detection field relative to the center trajectory. Trajectories with larger momentum (energy) are bent the least. Since the permanent magnet slides off and on with reference to the upstream edge of the vacuum chamber, it can be adjusted to various positions to slightly increase or decrease the central energy thereby changing the range of available energies. Figure 4 shows the effect of changing the location of the permanent magnet on the electron trajectory. A small inward change in r produces a longer trajectory in the magnet therefore, the same energy trajectory is bent more.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Twin-pulse seeding enables pump-probe capabilities in the EUV to soft X-ray spectrum at synchrotron light sources

Having previously reported that separating the two stages of echo-enabled harmonic generation (EEHG) with one or more bending magnet (BM) sections allows the BMs to serve as the desired source of momentum compaction, here we demonstrate that this arrangement can greatly reduce the total energy modulation required by any 4th generation synchrotron light source, leading to higher repetition rates as well as stronger coherent radiation output power, with significant benefits. Since the EEHG beamline performance is mainly determined by the momentum compaction, beam emittances and beta functions of a storage ring lattice, allowing for different separations between the two stages is a straightforward way to increase the momentum compaction of chicane 1. This also enables pump-probe capabilities in a novel context, where twin-pulse seeding on the same electron bunch would allow two distinct radiation pulses with an adjustable delay in the range of 0.1 to 10 ps. In the twin-pulse seeding scheme, the same electron bunch could undergo modulation from two distinct laser pulses. Later stages would produce independent harmonics in subsequent straight sections. There are two variations of this twin-pulse seeding scheme, supporting different scientific applications. With a common modulation in stage 1, the first option allows simultaneously two independent radiation sources, with a full coverage of the EUV (2.5 to 50 nm) to soft X-ray (1.25 to 2.5 nm) spectrum; for the second option, the same stage 2 undulator could generate two coherent pulses both fitting within the FEL bandwidth, or at distinct harmonics. We present particle tracking simulation studies based on the APS-U lattice, including quantum excitation and radiation damping. These simulations indicate that there is no degradation of the modulated longitudinal phase space even when the two stages are separated by as many as 10 BM sections.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Predicting third-body collision efficiencies for water and other polyatomic baths

Low-pressure-limit microcanonical (collisional activation) and thermal rate constants are predicted using a combination of automated ab initio potential energy surface construction, classical trajectories, transition state theory, and a detailed energy- and angular-momentum-resolved collision kernel. Several systems are considered, including CH 4 (+M) and HO 2 (+M), with an emphasis on systems where experimental information is available for comparison. The a priori approach involves no adjustable parameters, and we show that the predicted thermal rate constants are in excellent agreement with experiments, with average deviations of less than 25%. Notably, the a priori approach is shown to perform equally well for atomic, diatomic, and polyatomic baths, including M = H 2 O, CO 2 , and “fuel” baths like M = CH 4 and NH 3 . Additionally, the utility of microcanonical rate constants for interpreting trends and inferring mechanistic details in the thermal kinetics is demonstrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dual-energy electron storage ring

A dual-energy electron storage ring is a novel concept initially proposed to cool hadron beams at high energies. The design consists of two closed rings operating at significantly different energies: the low-energy ring and the high-energy ring. These two rings are connected by an energy recovery linac (ERL) that provides the necessary energy difference. The ERL features superconducting radio-frequency (SRF) cavities that first accelerate the beam from the low energy E L to the high energy E H and then decelerate the beam from E H to E L in the next pass. The different SRF cavities in the ERL section can be adjusted based on the applications. In this paper, we present a possible layout of a dual-energy electron storage ring. The preliminary optics of the ring is designed to optimize chromaticity correction, dynamic aperture, momentum aperture, beam lifetime, radiation damping, and intrabeam scattering effects. The primary focus of this paper is on the stability conditions and beam dynamics studies associated with this storage ring. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

What causes the spread of model projections of ocean dynamic sea-level change in response to greenhouse gas forcing?

Abstract Sea levels of different atmosphere–ocean general circulation models (AOGCMs) respond to climate change forcing in different ways, representing a crucial uncertainty in climate change research. We isolate the role of the ocean dynamics in setting the spatial pattern of dynamic sea-level ( ζ ) change by forcing several AOGCMs with prescribed identical heat, momentum (wind) and freshwater flux perturbations. This method produces a ζ projection spread comparable in magnitude to the spread that results from greenhouse gas forcing, indicating that the differences in ocean model formulation are the cause, rather than diversity in surface flux change. The heat flux change drives most of the global pattern of ζ change, while the momentum and water flux changes cause locally confined features. North Atlantic heat uptake causes large temperature and salinity driven density changes, altering local ocean transport and ζ . The spread between AOGCMs here is caused largely by differences in their regional transport adjustment, which redistributes heat that was already in the ocean prior to perturbation. The geographic details of the ζ change in the North Atlantic are diverse across models, but the underlying dynamic change is similar. In contrast, the heat absorbed by the Southern Ocean does not strongly alter the vertically coherent circulation. The Arctic ζ change is dissimilar across models, owing to differences in passive heat uptake and circulation change. Only the Arctic is strongly affected by nonlinear interactions between the three air-sea flux changes, and these are model specific.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Field-gradient measurement using a Stern-Gerlach atomic interferometer with butterfly geometry

Atomic interferometers have been studied as a promising device for precise sensing of external fields. Among various configurations, a particular configuration with a butterfly-shaped geometry has been designed to sensitively probe field gradients. Here, we introduce a Stern-Gerlach (SG) butterfly interferometer by incorporating magnetic field in the conventional butterfly-shaped configuration. Atomic trajectories of the interferometer can be flexibly adjusted by controlling magnetic fields to increase the sensitivity of the interferometer, while the conventional butterfly interferometer using Raman transitions can be understood as a special case. We also show that the SG interferometer can keep high contrast against a misalignment in position and momentum caused by the field gradient.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Advanced Computational Modeling of High-Level Waste Vitrification at the Hanford Site

The U.S. Department of Energy (DOE) has selected vitrification for stabilizing legacy tank waste at the Hanford site, where radioactive waste from plutonium production was historically stored in underground tanks. This waste will be separated into low-activity waste (LAW) and high-level waste (HLW) fractions and processed at the Waste Treatment and Immobilization Plant (WTP). At WTP, glass melters are used for the vitrification of radioactive tank waste, transforming it into a stable borosilicate glass form for safe long-term storage. The melter vessel is constructed from highly durable and heat-resistant materials, where the vitrification process occurs. The main regions that are modeled are the melt pool, plenum, cold cap, riser/discharge chamber, and surrounding structure with insulation layers. Forced convection induced by air bubblers at the base of the melter ensure uniform temperature distribution and provide heat to the cold cap layer. The cold cap is a region of reacting batch feed that floats on top of the molten glass and is where the batch-to-glass reactions occur. Joule heating provided by electrodes mounted along the vertical walls of the melter and immersed directly in the glass, generates the necessary heat for the net endothermic conversion processes that occur in the cold cap. The high temperatures, radioactivity, and opaque nature of the glass prevent direct observation inside the melters. Therefore, computational models are essential for providing insight into factors that affect melter throughput. Thermocouples in the plenum provide operators with plenum temperature measurements. Operational adjustments include bubbling rate, voltage supplied to the electrodes, feed adjustments, and glass removal rate. Different computational fluid dynamics (CFD) models have been developed, each serving a specific purpose. There are CFD models of different scale melters, as well as models that capture the two-phase flow interfaces of rising bubbles in the molten glass or models with a simplified molten glass region so that the surrounding structure and plenum can be feasibly incorporated. Pilot-scale melter models have been developed to serve as validation of the methods employed in the simulation of the full-scale WTP melters. Models incorporating resolved bubbling are used to develop momentum source terms to implement into a single phase, multi-region, steady-state flow model that is being validated by measured process parameters such as glass production rate, voltage, input power, plenum temperatures, etc. The resolved bubbling model uses the multiphase volume of fluid approach to model the system with a high-resolution interface capturing scheme to maintain sharp interfaces between the molten glass and the air phase. The suite of CFD models is continually being improved to incorporate more realistic physics and achieve faster turnaround time. For example, an incremental controller is implemented to automatically adjust electrode voltage within the simulation to a molten glass set point temperature of 1150°C. Newer models feature improved meshes to ensure conformal meshes between regions and eliminate unnecessary mesh refinement in areas that are not of interest (such as boundary layers in offgas ports). Instead of explicitly modeling the structural, refractory, and insulation layers of the melter, a thermal resistance approach is used with published correlations used for boundary conditions. The development of robust and efficient CFD models will be instrumental in enabling the WTP to successfully fulfill its mission of safely stabilizing legacy nuclear waste.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗