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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

Lowering the barrier to access information-rich transient kinetic data for machine learning methods

Transient kinetic data contain a wealth of information about intrinsic features of a catalyst as well as the reaction mechanism. Currently, high volume transient data is underutilized, and data science methods could both increase the value of information that can be extracted from this data, integrate experimental with theoretical data sources, and accelerate the pace of catalyst technology advancement. Transient kinetic characterizations with simple probe molecules exhibiting reversible adsorption, irreversible adsorption and bulk-surface diffusion are presented as training components for similar experiments with more complex surface reactions. In conclusion, by increasing the availability and accessibility of transient kinetic data through details of its structure and acquisition, we aim to decrease the barrier for data scientists to apply machine learning methods to this valuable data source.

Catalysis↗

Upsampling Monte Carlo Reactor Simulation Tallies in Depleted Sodium-Cooled Fast Reactor Assemblies Using a Convolutional Neural Network

The computational demand of neutron Monte Carlo transport simulations can increase rapidly with the spatial and energy resolution of tallied physical quantities. Convolutional neural networks have been used to increase the resolution of Monte Carlo simulations of light water reactor assemblies while preserving accuracy with negligible additional computational cost. Here, we show that a convolutional neural network can also be used to upsample tally results from Monte Carlo simulations of sodium-cooled fast reactor assemblies, thereby extending the applicability beyond thermal systems. The convolutional neural network model is trained using neutron flux tallies from 300 procedurally generated nuclear reactor assemblies simulated using OpenMC. Validation and test datasets included 16 simulations of procedurally generated assemblies, and a realistic simulation of a European sodium-cooled fast reactor assembly was included in the test dataset. We show the residuals between the high-resolution flux tallies predicted by the neural network and high-resolution Monte Carlo tallies on relative and absolute bases. The network can upsample tallies from simulations of fast reactor assemblies with diverse and heterogeneous materials and geometries by a factor of two in each spatial and energy dimension. The network’s predictions are within the statistical uncertainty of the Monte Carlo tallies in almost all cases. This includes test assemblies for which burnup values and geometric parameters were well outside the ranges of those in assemblies used to train the network.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

High Order Wall-Modeled Large-Eddy Simulation on Mixed Unstructured Meshes

In the present study, an algebraic equilibrium wall model previously developed for hexahedral elements is extended to handle mixed meshes including prismatic, tetrahedral, and pyramidal elements in the context of a discontinuous high-order method. This extension is needed for complex geometries, for which high-order mixed elements (e.g., tetrahedral and pyramidal elements) are often necessary near solid walls to avoid meshing challenges. Various design decisions are discussed to achieve the best performance on massively parallel CPU/GPU architectures for a production-level high-order large-eddy simulation solver based on the flux reconstruction/correction procedure via reconstruction method, hpMusic. The extension to other elements is first evaluated using a benchmark channel flow problem at various Reynolds numbers. After that, flow over the NASA high-lift Common Research Model (CRM-HL) from the 4th AIAA High-lift Prediction Workshop is computed to further test the new implementation. Computational results at the third- and fourth-order accuracies are compared with experimental data.

Engineering↗

Characterizing secondary neutrons at BLIP for isotope production applications

Fast secondary neutrons created at the Brookhaven Linac Isotope Producer (BLIP) facility following proton irradiation were characterized by the foil activation technique and compared with FLUKA Monte Carlo simulations. The FLUKA-simulated neutron flux was spectrally adjusted following the maximum entropy formalism using the International Reactor Dosimetry and Fusion File (IRDFF-II), with predictions agreeing with experimental measurements to within 9 % following the adjustment procedure. Here, a multitude of degrader configurations were simulated to assess the feasibility of improving the fast (E n > 20 MeV) secondary neutron yield at the proposed neutron target position (“N-slot”). A configuration where the N-slot is closest to the proton degrader produced the highest fast neutron yield, with tungsten degraders achieving the best performance. Assuming the optimized target-degrader configuration proposed in this work, we discuss potential isotope production opportunities with secondary neutrons. In most cases the yields are in the order of several mCi.

07 ISOTOPE AND RADIATION SOURCES↗

SOLPS-ITER modeling of a dedicated divertor for negative triangularity operation on DIII-D

The design of a new dedicated divertor for negative triangularity (NT) operation on DIII-D with neutral baffles and pumping is informed by SOLPS-ITER transport modeling. This dedicated NT divertor is the latest step in a progression of NT shapes with various divertor characteristics explored on DIII-D, including NT shapes at reduced triangularity and a campaign with stronger shaping that included new armored components on the outboard side. SOLPS simulations played a key role in these divertor designs. Interpretive simulations, using cross-field diffusivities constrained by experimental data in the NT Shelf shape were used to inform the design of the 2023 armor campaign components. A similar procedure used armor campaign data to predict conditions for the dedicated NT divertor. The predictive simulations were used to assess the divertor fluxes, detachment threshold, pumped flux, and neutral leakage. For the dedicated NT divertor, SOLPS simulations and two-point-modeling were used to show the relative impact of magnetic topology (mainly longer connection length) and divertor closure on the divertor conditions relative to the armor campaign. It is predicted that the dedicated NT divertor reaches detachment (measured by target ion flux rollover) at a lower upstream density (≈(1.75−−2.4)×1⁢019m−3) as compared to the armor campaign shape. For the preliminary design geometry, divertor closure reduces the neutral leakage by ≈10%. Parametric optimization indicating further ≈20%–60% improvement in the leakage flux and recycled flux crossing the pump entrance is possible for relatively minor changes to the divertor and baffle layout.

Lore, Jeremy [ORNL] (ORCID:000000029192465X)↗

As-Run Neutronic Calculations of HFIR Mini-Fuel Experiments: Guidelines for Analysts

This report provides guidelines for analysts performing radiation transport calculations for mini-fuel experiments irradiated in the High Flux Isotope Reactor (HFIR). Procedures, practical recommendations, and modeling conventions which are essential to ensuring consistency and high fidelity in as-run simulations have been compiled. The content is intended to be a portion of the official training material for new staff in this area, offering both technical references and practical guidance derived from previous experience. This report is a living document and will be periodically updated to incorporate new developments, methodological improvements, and lessons learned from ongoing and future irradiation campaigns.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

On the effect of flux-surface shaping on trapped-electron modes in quasi-helically symmetric stellarators

Using a novel optimization procedure, it has been shown that the Helically Symmetric eXperiment stellarator can be optimized for reduced trapped-electron-mode (TEM) instability [Gerard et al., Nucl. Fusion 63, (2023) 056004]. Presently, with a set of 563 experimental candidate configurations, gyrokinetic simulations are performed to investigate the efficacy of available energy EA, quasi-helical symmetry, and flux-surface shaping parameters as metrics for TEM stabilization. It is found that lower values of EA correlate with reduced growth rates, but only when separate flux-surface shaping regimes are considered. Moreover, configurations with improved quasi-helical symmetry demonstrate a similar reduction in growth rates and less scatter compared to EA. Regarding flux-surface shaping, a set of helical shaping parameters is introduced that show increased elongation is strongly correlated with reduced TEM growth rates, however, only when the quasi-helical symmetry is preserved. Using a newly derived velocity-space-averaged TEM resonance operator, these trends are analyzed to provide insights into the physical mechanism of the observed stabilization. For elongation, stabilization is attributed to geometric effects that reduce the destabilizing particle drifts across the magnetic field. Regarding quasi-helical symmetry, the TEM resonance in the maximally resonant trapping well is shown to increase as the quasi-helical symmetry is broken, and breaking quasi-helical symmetry increases the prevalence of highly resonant trapping wells. While these results demonstrate the limitations of using any single metric as a linear TEM proxy, it is shown that quasi-helical symmetry and plasma elongation are highly effective metrics for reducing TEM growth rates in helical equilibria.

Physics↗

Direct Numerical Simulation of Transitional and Turbulent Flows Over Multi-Scale Surface Roughness—Part I: Methodology and Challenges

Abstract High-fidelity simulation of transitional and turbulent flows over multi-scale surface roughness presents several challenges. For instance, the complex and irregular geometrical nature of surface roughness makes it impractical to employ conforming structured grids, commonly adopted in large-scale numerical simulations due to their high computational efficiency. One possible solution to overcome this problem is offered by immersed boundary methods, which allow wall boundary conditions to be enforced on grids that do not conform to the geometry of the solid boundary. To this end, a three-dimensional, second-order accurate boundary data immersion method (BDIM) is adopted. A novel mapping algorithm that can be applied to general three-dimensional surfaces is presented, together with a newly developed data-capturing methodology to extract and analyze on-surface flow quantities of interest. A rigorous procedure to compute gradient quantities such as the wall shear stress and the heat flux on complex non-conforming geometries is also introduced. The new framework is validated by performing a direct numerical simulation (DNS) of fully developed turbulent channel flow over sinusoidal egg-carton roughness in a minimal-span domain. For this canonical case, the averaged streamwise velocity profiles are compared against results from the literature obtained with a body-fitted grid. General guidelines on the BDIM resolution requirements for multi-scale roughness simulation are given. Momentum and energy balance methods are used to validate the calculation of the overall skin friction and heat transfer at the wall. The BDIM is then employed to investigate the effect of irregular homogeneous surface roughness on the performance of an LS-89 high-pressure turbine blade at engine-relevant conditions using DNS. This is the first application of the BDIM to realize multi-scale roughness for transitional flow in transonic conditions in the context of high-pressure turbines. The methodology adopted to generate the desired roughness distribution and to apply it to the reference blade geometry is introduced. The results are compared to the case of an equivalent smooth blade.

Engineering↗

Evaluating the impact of peat soils and snow schemes on simulated active layer thickness at pan-Arctic permafrost sites

Abstract Permafrost stability is significantly influenced by the thermal buffering effects of snow and active-layer peat soils. In the warm season, peat soils act as a barrier to downward heat transfer mainly due to their low thermal conductivity. In the cold season, the snowpack serves as a thermal insulator, retarding the release of heat from the soil to the atmosphere. Currently, many global land models overestimate permafrost soil temperature and active layer thickness (ALT), partially due to inaccurate representations of soil organic matter (SOM) density profiles and snow thermal insulation. In this study, we evaluated the impacts of SOM and snow schemes on ALT simulations at pan-Arctic permafrost sites using the Energy Exascale Earth System Model (E3SM) land model (ELM). We conducted simulations at the Circumpolar Active Layer Monitoring (CALM) sites across the pan-Arctic domain. We improved ELM-simulated site-level ALT using a knowledge-based hierarchical optimization procedure and examined the effects of precipitation-phase partitioning methods (PPMs), snow compaction schemes, and snow thermal conductivity schemes on simulated snow depth, soil temperature, ALT, and CO 2 fluxes. Results showed that the optimized ELM significantly improved agreement with observed ALT (e.g. RMSE decreased from 0.83 m to 0.15 m). Our sensitivity analysis revealed that snow-related schemes significantly impact simulated snow thermal insulation levels, soil temperature, and ALT. For example, one of the commonly used snow thermal conductivity schemes (quadratic Sturm or SturmQua) generally produced warmer soil temperatures and larger ALT compared to the other two tested schemes. The SturmQua scheme also amplified the model’s sensitivity to PPMs and predicted deeper ALTs than the other two snow schemes under both current and future climates. The study highlights the importance of accurately representing snow-related processes and peat soils in land models to enhance permafrost dynamics simulations.

54 ENVIRONMENTAL SCIENCES↗

Mock data sets for the Eboss and DESI Lyman-α forest surveys

We present a publicly-available code to generate sets of mock Lyman-α (Lyα) forest data that have realistic large-scale correlations including those due to the Baryonic Acoustic Oscillations (BAO). The primary purpose of these mocks is to test the analysis procedures of the Extended Baryon Oscillation Survey (eBOSS) and the Dark Energy Spectroscopy Instrument (DESI) surveys. The transmitted flux fraction, F(λ), of background quasars due to Lyα absorption in the intergalactic medium (IGM) is simulated using the Fluctuating Gunn-Petterson Approximation (FGPA) applied to Gaussian random fields produced through the use of fast Fourier transforms (FFT). The output includes the IGM-Lyα transmitted flux fraction along quasar lines of sight and a catalog of high-column-density systems appropriately placed at high-density regions of the IGM. This output serves as input to additional code that superimposes the IGM tranmission on realistic quasar spectra, adds absorption by high-column-density systems and metals, and simulates instrumental transmission and noise. Redshift space distortions (RSD) of the flux correlations are implemented by including the large-scale velocity-gradient field in the FGPA resulting in a correlation function of F(λ) that can be accurately predicted. One hundred realizations have been produced over the 14,000 deg 2 DESI survey footprint with 100 quasars per deg 2 . The analysis of these realizations shows that the correlations of F(λ) follows the prediction within the accuracy of eBOSS survey. Here, the most time-consuming part of the mock production occurs before application of the FGPA, and the existing pre-FGPA forests can be used to easily produce new mock sets with modified redshift-dependent bias parameters or observational conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

A new effective theory for stochastic relativistic hydrodynamics

Thermal fluctuations are a fundamental feature of dissipative systems that are essential for understanding physics near the expected critical point of QCD and in small systems. When such fluctuations are modeled naively in relativistic systems, strange features can appear such as negative self-correlation functions. We construct an effective theory for nonlinear stochastic relativistic hydrodynamics that ensure a well-posed mathematical formulation. Using Crooks fluctuation theorem, we derive a symmetry of the effective action that incorporates fluctuations through a suitable free energy functional. For divergence type theories, the action can then be fully specified using a single vector generating current. The equations of motion obtained using this procedure are guaranteed to be flux conservative and symmetric hyperbolic when the dynamics is causal. This ensures that these equations are well-posed (for suitable initial data) and are in a form that can easily be simulated, including with Metropolis techniques.

Mullins, Nicki [University of Illinois at Urbana-C↗

Inference finds consistency between a neutrino flavor evolution model and Earth-based solar neutrino measurements

We continue examining statistical data assimilation (SDA), an inference methodology, to infer solutions to neutrino flavor evolution, for the first time using real - rather than simulated - data. The model represents neutrinos streaming from the Sun's center and undergoing a Mikheyev-Smirnov-Wolfenstein (MSW) resonance in flavor space, due to the radially-varying electron number density. The model neutrino energies are chosen to correspond to experimental bins in the Sudbury Neutrino Observatory (SNO) and Borexino experiments, which measure electron-flavor survival probability at Earth. In conclusion, the procedure successfully finds consistency between the observed fluxes and the model, if the MSW resonance - that is, flavor evolution due to solar electrons - is included in the dynamical equations representing the model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Calibration and Performance of the ICARUS Detector at Fermilab

ICARUS is the largest Liquid Argon Time Projection Chamber (LArTPC) in operation and serves as the Far Detector of the Short Baseline Neutrino (SBN) program at Fermilab. Precise detector calibration is essential for reliable energy reconstruction and for maximizing the physics reach of the experiment. In this talk, I will describe the energy and timing calibration procedures developed at ICARUS. Thanks to the abundant flux of cosmic ray muons at the surface, the TPC response to ionization charge has been equalized across the detector, removing non-uniformities and in-transparency effects. A novel data-driven procedure has been used to tune the simulation of ionization signals and electronics noise yielding close agreement between Monte Carlo and data with minimal residual bias in reconstructed charge. In addition, the light detection system has been calibrated to sub-nanosecond timing resolution. This precision enables efficient cosmic background rejection and accurate synchronization of neutrino interactions with the time structure of both the Booster Neutrino Beam (BNB) and Neutrinos at the Main Injector (NuMI) beam. Together, these efforts demonstrate the robust performance of the detector and provide critical experience for future large LArTPCs, such as DUNE.

Vicenzi, Matteo [Brookhaven]↗

Flux-pumped impedance-engineered broadband Josephson parametric amplifier

Broadband quantum-limited amplifiers play a critical role in the single-shot readout of superconducting qubits, but a popular implementation, the traveling wave parametric amplifier, involves a complex design and fabrication process. Here, we present a simple design for a Josephson parametric amplifier, using a lumped element resonator comprising a superconducting quantum interference device whose useful bandwidth is enhanced with an on-chip impedance-matching circuit. Additionally, we demonstrate a flux-coupling geometry that maximizes the coupling to the Josepson loop and minimizes spurious excitation of the amplifier resonant circuit. The amplifier, which operates in a flux-pumped mode, is demonstrated with a power gain of more than 20dB over a bandwidth of about 300MHz, where approximate noise measurements indicate quantum-limited pehrformance. A procedure is given for optimizing the bandwidth for this kind of amplifier, using a linearized circuit simulation while minimizing non-linearities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reduced models for ETG transport in the tokamak pedestal

This paper reports on the development of reduced models for electron temperature gradient (ETG) driven transport in the pedestal. Model development is enabled by a set of 61 nonlinear gyrokinetic simulations with input parameters taken from pedestals in a broad range of experimental scenarios. The simulation data have been consolidated in a new database for gyrokinetic simulation data, the multiscale gyrokinetic database (MGKDB), facilitating the analysis. The modeling approach may be considered a generalization of the standard quasilinear mixing length procedure. The parameter η, the ratio of the density to temperature gradient scale length, emerges as the key parameter for formulating an effective saturation rule. With a single order-unity fitting coefficient, the model achieves an error of 15%. A similar model for ETG particle flux is also described. We also present simple algebraic expressions for the transport informed by an algorithm for symbolic regression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Application of recoil-imaging time projection chambers to directional neutron background measurements in the SuperKEKB accelerator tunnel

Gaseous time projection chambers (TPCs) with high readout segmentation are capable of reconstructing detailed 3D ionization distributions of nuclear recoils resulting from elastic neutron scattering. Here, using a system of six compact TPCs with pixel ASIC readout, filled with a 70:30 mixture of He:CO 2 gas, we analyze the first directional measurements of beam-induced neutron backgrounds in the tunnel regions surrounding the Belle II detector at the SuperKEKB e + e – collider. With the use of 3D recoil tracking, we show that these TPCs are capable of maintaining nearly 100% nuclear recoil purity to reconstructed ionization energies (E reco ) as low as 5 keV ee . Using a large sample of Monte-Carlo (MC)-simulated 4 He, 12 C, and 16 O recoil tracks, we find consistency between predicted and measured recoil energy spectra in five of the six TPCs, providing useful validation of the neutron production mechanisms modeled in simulation. Restricting this sample to 4 He recoil tracks with E reco > 40 keV ee , we further demonstrate axial angular resolutions within 8° and we introduce a procedure that under suitable conditions, correctly assigns the vector direction to 91% of these simulated 4 He recoils. Applying this procedure to assign vector directions to measured 4 He recoil tracks, we observe consistency between the angular distributions of observed and simulated recoils, providing first experimental evidence of localized neutron “hotspots” in the accelerator tunnel. Observed rates of nuclear recoils in these TPCs suggest that simulation overestimates the neutron flux from these hotspots. Despite this, we estimate these hotspots to produce the majority of neutron backgrounds in the accelerator tunnel at SuperKEKB’s target luminosity of 6.3 x 10 35 cm –2 s –1 , making them important regions to continue to monitor.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Λ Baryon Production in ν¯µ Interactions in the MicroBooNE Detector

The Cabibbo suppressed production of $\Lambda$ baryons in anti-neutrino interactions with nuclei is a rare process that is yet to be measured with a modern neutrino detector with automated reconstruction. The cross section for this process is sensitive to a number of unique nuclear effects, most notably the secondary interactions of the produced hyperon while attempting to escape from the nucleus. Other interactions within the nuclear remnant can impact the estimation of neutrino energy in oscillation measurements, and thus an accurate description of the nuclear environment is required. The strangeness violating hyperon production process is only available to anti-neutrinos. The model of this interaction is implemented into the NuWro neutrino interaction Monte Carlo simulation, and some predictions are presented, focusing on the role of nuclear effects. This model introduces a hyperon-nucleus potential, which calculations from hypernuclear theory permit to be strongly repulsive in th e case of $\Sigma$ baryons. The presence of this potential is found to sculpt the shape of the differential cross section in some variables. The MicroBooNE detector will be described, followed by a description of a measurement of the flux averaged, restricted phase space cross section of Cabibbo suppressed $\Lambda$ baryon production. A sophisticated event selection is employed, as a very large quantity of background neutrino interactions must be removed to perform the measurement with any sensitivity. This selection introduces some novel techniques such as the island finding method, and achieves a background reduction of $\sim 10^6$, with an efficiency of around 7\%. The calculation of the systematic uncertainties will be explained, including two procedures explored to handle sources of background with extremely poor simulation statistics: an in-situ constraint using data from sidebands, and a visual inspection of the data and simulation to remove the troublesome background events. The sensitivity to the $\Lambda$ baryon production cross section is calculated in the form of Bayesian posterior probability distributions, combining the systematic uncertainties with data and simulation statistical uncertainties. As a rare process, the statistical uncertainties are highly non-Gaussian, and the Bayesian approach is applied to include the full shapes of these uncertainties. Data corresponding to $2.2 \times 10^{20}$ protons on target of neutrino mode running and $4.9 \times 10^{20}$ protons on target of anti-neutrino running is analysed. When the data was unblinded, five $\Lambda$ production candidates were selected from the data, consistent with the MC simulation prediction of $5.3 \pm 1.1$ events. The final estimated cross section is $1.8^{+2.0}_{-1.6} \times 10^{-40}$cm$^2/$Ar when employing the sideband constraint procedure. A similar result of $2.0^{+2.2}_{-1.8} \times 10^{-40}$cm$^2/$Ar is obtained when performing the visual scan instead. The methods used in t his analysis are intended to be easily exported to other LArTPC detectors such as the Short Baseline Near Detector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Concept Descriptions for the VTR Rabbit System and Driver Fuel Test Assemblies

Two of the experiment vehicles being developed for the Versatile Test Reactor (VTR) are presented here. The first is a rabbit system that will enable rapid insertion of small test capsules into the high fast flux of the VTR core for relatively short durations. The rabbit concept development includes the construction/demonstration of a near-full-scale system in a deep-water pool to demonstrate functionality, development of a concept of operations and initial procedures, and validation of thermal-hydraulic modeling. In addition, modeling efforts are underway to simulate the thermal and neutronic environment of a rabbit capsule. The second type of experiment vehicle presented here is a driver fuel test assembly for inserting fuel and materials tests into the core by replacing a driver fuel assembly. Here, a novel design for dismountable test assemblies is proposed for the VTR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗