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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards Three-Dimensional Neutron Imaging with Light-field Technology

A broad range of applications in nuclear safeguards and security can benefit from compact, fast neutron imagers with large angular acceptance. However, accurate 3D multi-vertex reconstruction in a monolithic detector remains a significant barrier to realization. Current approaches, such as the centroiding approach and the use of shadow masks, have not yet resulted in a successful demonstration in a light-starved environment. This project explored the use of cutting-edge technology—a light field camera—which inherently preserves both the spatial and directional information of incident light. Such technology can, in principle, resolve multi-vertex events and offer accurate position reconstruction in 3D with relatively simple readout electronics. Since the project's inception in May 2023, we have built an experimental setup to calibrate and characterize a commercial light-field camera (Lytro Illum). We assessed its 3D event reconstruction capability in a relatively low-light intensity environment by analyzing the cross-correlation of a series of 2D images of a characterized tunable light source taken at various distances. A sub-cm resolution, lower than typical neutron interaction separations in a compact scintillator volume, was observed with the LED light source, suggesting the promising capability of its nominal optics design to provide the adequate resolution required for a compact monolithic neutron directional detector. However, using a light-field-based readout for a neutron camera requires incorporating an ultra-low-noise light sensor, which is beyond the scope of this project. We also initiated the development of a 3D light-field-based reconstruction algorithm tailored to sparse scenes, as expected from particle interactions in a scintillator medium. Additionally, we demonstrated the capability of the algorithm to replicate the ground truth. Finally, we began the development of a neutron directional detector simulation to determine the performance criteria for light-field-based reconstruction that allows for good neutron directional reconstruction. This Feasibility Study has led to a successful follow-up project under the DNN R&D innovation portfolio starting May 2024.

42 ENGINEERING↗
DOE OSTI2024

SCALE Analyses of Scenarios in the High-Temperature Gas-Cooled Reactor Fuel Cycle

This report demonstrates the SCALE code system’s capabilities in modeling and simulating scenarios in the High-Temperature Gas-cooled Reactor (HTGR) nuclear fuel cycle as part of a United States Nuclear Regulatory Commission (NRC) project that aims to demonstrate the capabilities of the SCALE and MELCOR codes for non-light water reactor (non-LWR) modeling and simulation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Catalytic resonance theory for the kinetic signatures of multiple wavelength photocatalysis

Multi-step surface chemistry promoted with one or two wavelengths of light exhibited distinct kinetic signatures indicative of the light-adsorbate interactions and the number of photon-sensitive elementary steps. In this work, kinetic Monte Carlo simulations identified the kinetic response of general surface mechanisms to variation in the per-site photon flux of one or two wavelengths of incident light. Photocatalytic rates were described via a non-dimensional photon flux, identifying multiple kinetic regimes with unique degrees of rate control. Under photon-controlled kinetic conditions, maximum quantum yield and turnover frequency were obtained under constant illumination, while pulsing of one or more light sources was shown to exhibit slower rates and less efficient photocatalytic promotion due to the inherent dynamic nature of light, which comprises a stream of photons. Simulations provided distinct kinetic signatures in catalytic rates and Arrhenius kinetics for specific light-surface-adsorbate interactions corresponding to photocatalytic promotion of specific steps in surface chemistry.

catalytic resonance↗
DOE OSTI2025

Uncertainty quantification and sensitivity analysis for SPERT III E-core reactivity measurement benchmarking

The Special Power Excursion Reactor Test (SPERT) III E-core experiment is important because it provides critical data on reactor behavior under significant reactivity insertions, which is essential for validating computer simulations and ensuring the safety of modern light water reactors. Its design similarities to contemporary reactors make it a valuable resource for understanding and mitigating extreme hazards in nuclear operations. The current study details the application of formal parametric uncertainty quantification and sensitivity analysis to a model of the SPERT-III E-core model for zero power reactivity benchmarking. Additionally, the reactivity impact from various modeling assumptions is quantified. Overall, an conservative estimate for an uncertainty in k$_{\text{eff}}$ of $\pm$1257 was observed. A less conservative, more realistic, uncertainty estimate of $\pm$1096 pcm can be justified by the potential for various parametric uncertainties to become negligible when sampled independently across the ~1400 pins in the core. The experimental results fall within both of these uncertainty bounds. Standardized regression coefficient as well as Sobol indices are used to identify the guide tube thicknesses as the primary contributors to the uncertainty in k$_{\text{eff}}$. Overall, this study provides information on how the uncertainties in input parameters and modeling methods impact simulated k$_{\text{eff}}$ values and can be used to aid model building efforts for future code validation with the SPERT-III E-core experiment.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Test beam study of SiPM-on-tile configurations

Light yield and spatial uniformity for a large variety of configurations of scintillator tiles were studied. The light from each scintillator was collected by a Silicon Photomultiplier (SiPM) directly viewing the produced scintillation light (SiPM-on-tile technique). The varied parameters included tile transverse size, tile thickness, tile wrapping material, scintillator composition, and SiPM model. Furthermore, these studies were performed using 120 GeV protons at the Fermilab Test Beam Facility. External tracking allowed the position of each proton penetrating a tile to be measured. The results were compared to a GEANT4 simulation of each configuration of scinitillator, wrapping, and SiPM.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Implementation of Distributed Memory Computing in MOSAIC to Enable Large 3D Simulations of Irradiated Concrete

The concrete biological shield (CBS) of light-water reactors protects workers and the surrounding environment by absorbing neutron and gamma irradiation emitted from the reactor core. The radiation dose increases with the CBS’s operational time and, in the long term, becomes significant enough to raise the question of irradiation effects on concrete—and particularly on the structural integrity of the CBS. Irradiation-induced damage has been identified as one of the main degradation mechanisms in the CBS. Neutron radiation causes the swelling of aggregate-forming minerals at different rates and amplitudes depending on the mineral’s nature. Silicate-bearing minerals such as quartz are particularly sensitive to neutron radiation and experience up to 17.8% volumetric expansion. Aggregates comprise several minerals with different orientations and are, therefore, subject to cracking as a result of mismatch strains. Additionally, the swelling of aggregates creates significant stresses in the surrounding cement paste matrix, which also results in crack formation. In parallel with the collection of characterization and irradiation test data, development of modeling and simulation tools for irradiated concrete is ongoing with the support of the US Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) program. This effort resulted in the development and application of the fast-Fourier transform (FFT)–based code Microstructure-Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) at Oak Ridge National Laboratory.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Assessing the Impact of a Novel TBC Material on Heat Transfer in a Spark Ignition Engine through 3D CFD-FEA Co-Simulation Routine

Thermal barrier coatings (TBCs) have been of interest since the 1970s for application in internal combustion (IC) engines. Thin TBCs exhibit a temperature swing phenomenon wherein wall temperatures dynamically respond to the transient working-gas temperature throughout the engine cycle, thus reducing the temperature difference driving the heat transfer. Determining these varying wall temperatures is necessary to evaluate and study the effect of coatings on wall heat transfer. This study focuses on developing a 3D computational fluid dynamics (CFD)-finite element analysis (FEA) coupled simulation, or co-simulation, routine to determine the wall temperatures of a piston coated with a thin TBC layer subject to spark ignition combustion heat flux. A CONVERGE 3D-CFD model was used to simulate the combustion process in a single-cylinder, light-duty experimental spark ignition (SI) engine. Transient piston heat transfer analysis was conducted using ABAQUS, a FEA package, under the simulated combustion heat flux load. The effect of the temperature swing phenomenon due to this TBC layer was observed in a CFD simulation by implementing the FEA results as the piston thermal boundary conditions. The boundary conditions were passed between the CFD and FEA tools until a quasi-steady state solution was achieved. Furthermore, a reduction in wall heat transfer was observed due to a reduced temperature difference between the wall and the working gas.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Brought to Light. I. Quantification of Disk Substructure in Dwarf Early-type Galaxies

Dwarf early-type galaxies (ETGs) display a rich diversity in their photometric, structural, and dynamical properties. In this work, we address their structural complexity by studying with deep imaging a sample of nine dwarf ETGs from the Virgo galaxy cluster, characterized by having faint disk features such as bars and spiral arms, that lie mostly hidden within the bright diffuse light of the galaxies. We present a new, robust method that aims to identify and extract the disk substructure embedded in these dwarf ETGs. The method consists in an iterative procedure that gradually separates a galaxy image into two components: the bright, dominant, diffuse component, and the much fainter, underlying disk component. By applying it to the dwarf ETG sample, we quantify their disk substructure and find that its relative contribution to the total galaxy light ranges between 2.2% and 6.4% within two effective radii. We test the reliability of the method, and prove that it is accurate in recovering the disk substructure we introduce in mock galaxy images, even at low disk-to-total light fractions of a few percent. As a potential application of the method, we perform a Fourier analysis on the extracted disk substructures and measure the orientation, length, and strength of the bars, as well as the pitch angle and strength of the spiral arms. We also briefly discuss a scenario based on the numerical simulations presented in our companion paper, Brought to Light II: Smith et al., in which we investigate the origins of the substructure in such dwarf systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Electron bunch dynamics and emission in particle-in-cell simulations of relativistic laser–solid interactions: On density artifacts, collisions, and numerical dispersion

Sub-optical-cycle dynamics of dense electron bunches in relativistic-intensity laser–solid interactions lead to the emission of high-order harmonics and attosecond light pulses. The capacity of particle-in-cell simulations to accurately model these dynamics is essential for the prediction of emission properties because the attosecond pulse intensity depends on the electron density distribution at the time of emission and on the temporal distribution of individual electron Lorentz-factors in an emitting electron bunch. Here, we show that in one-dimensional collisionless simulations, the peak density of the emitting electron bunch increases with the increase in the spatial resolution of the simulation grid. When collisions are added to the model, the peak electron density becomes independent of the spatial resolution. Collisions are shown to increase the spread of the peaks of Lorentz-factors of emitting electrons in time, especially in the regimes far from optimum generation conditions, thus leading to lower intensities of attosecond pulses as compared to those obtained in collisionless simulations.

Physics↗
DOE OSTI2020

Validation of heat transport modeling using directly driven beryllium spheres

Recent experiments involving directly driven beryllium spheres are reported. Plasma conditions are measured using Thomson scattering with the probe beam pointed 200, 300, and 400 μ m from the surface of the sphere. Laser coupling is assessed using calorimeters that collect scattered light placed at various locations within the target chamber. Laser intensities of 1 0 14 W / c m 2 and 2.5 × 1 0 14 W / c m 2 are chosen to minimize unmodeled laser-plasma interactions (LPIs) that lead to laser-target decoupling. Two-dimensional simulations are compared to the interpreted data using the radiation-hydrodynamics code Lasnex. Heat transport is simulated using flux-limited Spitzer–Harm with both high ( f = 0.15) and low ( f = 0.03) flux limiters and the Schurtz–Nicolai-Busquet (SNB) model. At 1 0 14 W / c m 2 , all three heat transport models agree well with the measurement, demonstrating that the heat flux is local at low intensities near the measurement locations. At 2.5 × 1 0 14 W / c m 2 , the SNB and high flux model roughly match the plasma conditions but predict 2% uncoupled light compared to 10% measured. Additionally, the use of drive multipliers to match the measured coupled light does not alter the agreement between measured and simulated plasma conditions, suggesting that decoupling due to LPI is unlikely to alter this agreement. The low flux model cannot match the plasma conditions and results in 19% scattered light. The use of a resonant absorption model can be used to bring the simulated scattered light into agreement, but the simulated plasma conditions are still in disagreement with the measurement. For this reason, the low flux model is rejected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Is diffuse intracluster light a good tracer of the galaxy cluster matter distribution?

We explore the relation between diffuse intracluster light (central galaxy included) and the galaxy cluster (baryonic and dark) matter distribution using a sample of 528 clusters at 0.2 ≤ z ≤ 0.35 found in the Dark Energy Survey (DES) Year 1 data. The surface brightness of the diffuse light shows an increasing dependence on cluster total mass at larger radius, and appears to be self-similar with a universal radial dependence after scaling by cluster radius. We also compare the diffuse light radial profiles to the cluster (baryonic and dark) matter distribution measured through weak lensing and find them to be comparable. The IllustrisTNG galaxy formation simulation, TNG300, offers further insight into the connection between diffuse stellar mass and cluster matter distributions – the simulation radial profile of the diffuse stellar component does not have a similar slope with the total cluster matter content, although that of the cluster satellite galaxies does. Regardless of the radial trends, the amount of diffuse stellar mass has a low-scatter scaling relation with cluster’s total mass in the simulation, out-performing the total stellar mass of cluster satellite galaxies. We conclude that there is no consistent evidence yet on whether or not diffuse light is a faithful radial tracer of the cluster matter distribution. Nevertheless, both observational and simulation results reveal that diffuse light is an excellent indicator of the cluster’s total mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A Novel Approach to Simulate Realistic Concrete Microstructures under Irradiation

The concrete biological shield of light water reactors is exposed to high neutron and gamma irradiation doses in the long term. Irradiation deteriorates the physical and mechanical properties of concrete. Such effects need to be investigated to predict the concrete’s performance in the event of a lifetime extension of a nuclear power plant. This work combines high-resolution characterization techniques with fast-Fourier transform (FFT)-based 2-D simulations to evaluate the radiation-induced volumetric expansion (RIVE) and damage in concrete microstructures under neutron irradiation. Two concrete microstructures from samples provided by the Japan Concrete Aging Management Program (JCAMP) were characterized using micro x-ray fluorescence (mXRF) to obtain elemental intensity maps, and energy-dispersive x-ray spectroscopy to complement mXRF with local elemental information for Na. Minerals and cement paste are then identified based on the elemental composition to produce high-resolution phase maps, resulting in a more accurate representation of the microstructures compared to previous work. Simulations of radiation-induced volumetric expansion (RIVE), creep, and damage in JCAMP concrete use the fast Fourier transform (FFT)-based code Microstructure Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) combined with the irradiated minerals, aggregates, and concrete (IMAC) database, which contains mineral-specific RIVE models. Overall, the simulation results are in fair agreement with experimental data.

Cheniour, Amani↗
DOE OSTI2026

Cooperative Automated Cohort Driving on Connected Infrastructure, Arterial Roadways, and Highways: Final Project Demonstration and System-of-Systems Model Correlation

This project seeks to synergize vehicle automated driving and connectivity data to improve mobility and energy efficiency of groups of mixed vehicles operating in close proximity (vehicle cohort) on various infrastructure. A custom cellular communication network links vehicles operating as a cohort with infrastructure to a centralized system-of-systems digital twin with an AI-based optimal behavior planner. The data contained in this set are from final testing and technology demonstrations to U.S. Department of Energy staff at the American Center for Mobility. The data contain single-lane, single-light scenarios; multi-lane, multi-light arterial scenarios; and limited-access highway scenarios. All test cases were derived from simulations and replicated on the test track. The project employed two and four light-duty vehicles with connectivity and drive automation for the testing. The baseline scenario without connectivity was run under the control of the system-of-systems centralized planner but operating each vehicle with an intelligent driver model controlling the velocity, lane utilization, and vehicle gap. This was to ensure the highest compatibility with the simulation in terms of dynamic behavior. The connected cohort case utilized AI optimization to perform coordinated and cooperative control for energy, as well as safe, comfortable behavior for the cohort. The dataset is appropriately named with unconnected and connected designations, with comparisons sharing the same run index number. The included PowerPoint and PDF files describe the test setup and provide an overview of results from the project. ![image](de-EE0009209_March_2023_Data_Arterial_Scenario_Results.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

The effect of jet–ejecta interaction on the viewing angle dependence of kilonova light curves

ABSTRACT The merger of two neutron stars produces an outflow of radioactive heavy nuclei. Within a second of merger, the central remnant is expected to also launch a relativistic jet, which shock-heats and disrupts a portion of the radioactive ejecta. Within a few hours, emission from the radioactive material gives rise to an ultraviolet, optical, and infrared transient (a kilonova). We use the endstates of a suite of 2D relativistic hydrodynamic simulations of jet–ejecta interaction as initial conditions for multidimensional Monte Carlo radiation transport simulations of the resulting viewing angle-dependent light curves and spectra starting at $1.5\, \mathrm{h}$ after merger. We find that on this time-scale, jet shock heating does not affect the kilonova emission for the jet parameters we survey. However, the jet disruption to the density structure of the ejecta does change the light curves. The jet carves a channel into the otherwise spheroidal ejecta, revealing the hot, inner regions. As seen from near (≲30°) the jet axis, the kilonova is brighter by a factor of a few and bluer. The strength of this effect depends on the jet parameters, since the light curves of more heavily disrupted ejecta are more strongly affected. The light curves and spectra are also more heavily modified in the ultraviolet than in the optical.

Klion, Hannah↗
DOE OSTI2021

Freestanding Ferroelectric Bubble Domains

Bubble-like domains, typically a precursor to the electrical skyrmions, arise in ultrathin complex oxide ferroelectric-dielectric-ferroelectric heterostructures epitaxially clamped with flat substrates. Here, it is reported that these specially ordered electric dipoles can also be retained in a freestanding state despite the presence of inhomogeneously distributed structural ripples. By probing local piezo and capacitive responses and using atomistic simulations, this study analyzes these ripples, sheds light on how the bubbles are stabilized in the modified electromechanical energy landscape, and discusses the difference in morphology between bubbles in freestanding and as-grown states. Furthermore, these results are anticipated to be the starting point of a new paradigm for the exploration of electric skyrmions with arbitrary boundaries and physically flexible topological orders in ferroelectric curvilinear space.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites

2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R-NH 3 ) 2 PbI 4 systems impacts halide diffusion, particularly in the out-of-plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Observation of Fundamental Mechanisms in Compression-Induced Phase Transformations Using Ultrafast X-ray Diffraction

As theoretically hypothesized for several decades in group IV transition metals, we have discovered a dynamically stabilized body-centered cubic (bcc) intermediate state in Zr under uniaxial loading at sub-nanosecond timescales. Under ultrafast shock wave compression, rather than the transformation from α-Zr to the more disordered hex-3 equilibrium ω-Zr phase, in its place we find the formation of a previously unobserved nonequilibrium bcc metastable intermediate. We probe the compression-induced phase transition pathway in zirconium using time-resolved sub-picosecond x-ray diffraction analysis at the Linac Coherent Light Source. We also present molecular dynamics simulations using a potential derived from first-principles methods which independently predict this intermediate phase under ultrafast shock conditions. In contrast with experiments on longer timescale (> 10 ns) where the phase diagram alone is an adequate predictor of the crystalline structure of a material, our recent study highlights the importance of metastability and time dependence in the kinetics of phase transformations.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Potential annual daylighting performance of a high-efficiency daylight redirecting slat system

While the primary role of window attachments is often to moderate glare and solar heat gains, they are also able to provide additional daylight to interior spaces. For this purpose, a variety of daylight-redirecting window systems have been developed over the past 150 years. Fixed reflective systems (slats/light shelves) or prismatic systems that rely on total internal reflection work well under specific solar conditions, but generally sacrifice performance over a much wider range of incident solar angles and sky conditions. Dynamic systems - typically reflective slats - are more responsive to sun angles but have not been able to achieve optimal performance for glare and daylight redirection efficiency. A previous investigation into an adjustable, reflective blind concept first conceived of in the late 1970s showed promise but was not reduced to practice due to lack of adequate simulation and analysis tools. In this paper, this concept is further developed and its energy and visual comfort performance evaluated for four mid-latitude, temperate climates using ray-tracing simulation techniques. Overall, results indicate significant potential lighting energy savings when compared with conventional automated reflective blinds (2.1–4.9 kWh/(m 2 ·a), or 14%–42%, depending on climate and orientation) or, especially, manually-operated matte white venetian blinds (1.4–7.9 kWh/(m 2 ·a), or 9%–54%, depending on climate and orientation), while maintaining acceptable or better visual comfort conditions throughout the interior space.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗