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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Deployment of neural-network-based neutron microscopic cross sections in the Griffin reactor physics application

The capability to utilize neural networks to predict macroscopic and microscopic cross section parametric spaces has been developed for the Griffin reactor physics application. The LibTorch interface enables Griffin's MOOSE-based materials to interact with LibTorch-trained models, allowing for the evaluation of complex macroscopic or microscopic cross section spaces, which are then used to evaluate the neutronic properties of the Griffin finite element model. This study benchmarks traditional ISOXML-formatted tabulation libraries against neural network-based models for 279 nuclides on 20,160 grid points for zero-dimensional and two-dimensional reactor models. Benchmark metrics include the fundamental mode eigenvalue, fission and absorption rates, and various temperature coefficients of reactivity (isothermal, fuel, and moderator). From the perspective of storage space, the complete set of LibTorch models uses 11 MB on disk, compared to the 10 GB for the ISOXML multigroup library that covers the same grid space. For the two-dimensional performance case considered in Griffin, the Torch model uses 97% less RAM than the reference ISOXML dataset while runtime increases by a factor of 3 when using the LibTorch model compared to the ISOXML dataset with multi-linear interpolation. The LibTorch model consistently yields errors within 0.01% for most analyzed quantities except for the temperature coefficients of reactivity where the maximum discrepancies are up to 0.3 $\frac{pcm}{K}$. Due to the neural network attempting to best predict quantities with no regard for a positive or negative bias for any given quantity, predictions may experience random fluctuations, resulting in both positive and negative errors. Future work will entail both depletion and coupled transient analysis to determine the predictive capabilities of Griffin with neural network-based cross sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

In situ feature analysis for large-scale multiphase flow simulations

The study of multiphase flow is essential for designing chemical reactors such as fluidized bed reactors (FBR), as a detailed understanding of hydrodynamics is critical for optimizing reactor performance and stability. An FBR allows scientists to conduct different types of chemical reactions involving multiphase materials, especially interaction between gas and solids. During such complex chemical processes, the formation of void regions in the reactor, generally termed as bubbles, is an important phenomenon. The study of these bubbles has a deep implication in predicting the reactor’s overall efficiency. But physical experiments needed to understand bubble dynamics are costly and non-trivial due to the technical difficulties involved and harsh working conditions of the reactors. Therefore, to study such chemical processes and bubble dynamics, a state-of-the-art computational simulation MFIX-Exa is being developed. Despite the proven accuracy of MFIX-Exa in modeling bubbling phenomena, the large-scale output data prohibits the use of traditional post hoc analysis capabilities in both storage and I/O time. Herein, to address these issues and allow the application scientists to explore the bubble dynamics in an efficient and timely manner, we have developed an end-to-end analytics pipeline that enables in situ detection of bubbles, followed by a flexible post hoc visual exploration methodology of bubble dynamics. The proposed method enables interactive analysis of bubbles, along with quantification of several bubble characteristics, enabling experts to understand the bubble interactions in detail. Positive feedback from the experts has indicated the efficacy of the proposed approach for exploring bubble dynamics in very-large-scale multiphase flow simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

CsI(Tl) pulse shape discrimination with the Belle II electromagnetic calorimeter as a novel method to improve particle identification at electron–positron colliders

Here we describe the implementation and performance of CsI(Tl) pulse shape discrimination for the Belle II electromagnetic calorimeter, representing the first application of CsI(Tl) pulse shape discrimination for particle identification at an electron–positron collider. The pulse shape characterization algorithms applied by the Belle II calorimeter are described. Control samples of $γ, μ^+, π^±, K^±$ and $ρ/ \bar{ρ}$ are used to demonstrate the significant insight into the secondary particle composition of calorimeter clusters that is provided by CsI(Tl) pulse shape discrimination. Comparisons with simulation are presented and provide further validation for newly developed CsI(Tl) scintillation response simulation techniques, which when incorporated with GEANT4 simulations allow the particle dependent scintillation response of CsI(Tl) to be modelled. Comparisons between data and simulation also demonstrate that pulse shape discrimination can be a new tool to identify sources of improvement in the simulation of hadronic interactions in materials. The $K^0_L$ efficiency and photon-as-hadron fake-rate of a multivariate classifier that is trained to use pulse shape discrimination is presented and comparisons are made to a shower-shape based approach. CsI(Tl) pulse shape discrimination is shown to reduce the photon-as-hadron fake-rate by over a factor of 3 at photon energies of 0.2 GeV and over a factor 10 at photon energies of 1 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Incorporating bubble growth volume feedback to improve simulation of the response of a structure containing liquid and gas to sudden energy input

The SNS target module is a stainless-steel structure that contains and directs mercury. The mercury is struck with short, intense proton pulses to create neutrons. The pulses deposit energy and cause loads on the target structure and mercury cavitation. Helium bubbles are introduced into the mercury to reduce loads and cavitation. This gas complicates the prediction of the target module’s physical response. The current method used to simulate the structural response to the proton pulse incorporates a simple but effective approach to approximate mercury cavitation effects. This method cannot account for the changes from injected non-condensable gas. The ability to model the target vessel response is a prerequisite for estimating its life. Known approaches for simulating a bubbly fluid mixture’s response are computationally expensive and impractical for detailed engineering models. A constitutive model is proposed for target mercury with injected gas bubbles, with the intent of providing more accurate mercury–vessel response behavior without the computing costs required to track individual bubbles. The model’s assumptions and a computational model embodiment are described. The bubbly mercury computational model is subjected to test problems to assess its potential utility. Here, the model was able to better predict the effect of gas on wave propagation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

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

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

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Net lithium deposition and dominant self-sputtering in lithium tokamak experiment-β with a liquid lithium wall

We observed enhanced net lithium deposition and lithium erosion, possibly dominated by physical sputtering of lithium by lithium-ion bombardment, on the outer plasma-facing surface in the Lithium Tokamak eXperiment-β (LTX-β) during liquid lithium wall operations. Silicon crystal samples with micro-trenches (30 μm × 30 μm × 2–7 μm deep) were exposed to hydrogen plasmas in LTX-β for solid and liquid lithium wall operations. Post-mortem analysis using X-ray photoelectron spectroscopy combined with argon ion sputtering measured net lithium deposition of 8.2 or 21 nm on the silicon crystal surface exposed for ~ 50 repeated shots of ~ 50-ms hydrogen plasma discharges during the liquid lithium wall operations at a vessel temperature of 475 K. Energy dispersive X-ray spectroscopy measured oxygen concentration patterns on the micro-trench floors, which were due to oxidized lithium deposition. Using the inhomogeneous oxygen concentration pattern caused by an ion-shadowing effect associated with the micro-trench’s geometric structure, we determined a polar incident ion direction of 68.4 ± 1.6° referenced to the surface normal direction. This observation was well-explained by the hypothesis that self-sputtering of Li was a dominant lithium erosion source in addition to lithium sputtering by hydrogen bombardment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Tungsten erosion during L-mode discharges in the DIII-D SAS-VW divertor

A series of L-mode plasma discharges was performed in the DIII-D tokamak to assess the impact of outer strike point (OSP) position and toroidal magnetic field direction on erosion and core contamination potential of the recently-installed, tungsten-coated Small Angle Slot (SAS-VW) divertor. In one discharge, in-slot emission spectroscopy measured an<48 % increase in the W gross erosion rate when the OSP was moved 3 cm outwards, away from the V-shaped vertex of the slot divertor. However, the effective W yield (erosion rate divided by the incident D flux) was, overall, insensitive to changes in OSP location. Consistently low estimates of the effective W yield based on measurements taken a few cm outwards from the vertex suggest potentially significant C surface contamination. No W emission signal was detected when orienting the toroidal magnetic field such that the ion B×∇B drift direction is pointed away from the X-point. However, measurements of W content in the plasma core for both toroidal magnetic field directions suggest the presence of additional, unmeasured sources of erosion. The difference in the measured core W density with OSP position is much greater than the difference in the measured erosion rates, which may suggest that the leakage of eroded impurities out of the divertor is governed primarily through the parallel ion temperature gradient and friction forces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Innovative laser-based methods for monitoring fuel retention in ITER

This paper addresses the challenge of tritium inventory management in ITER and future fusion reactors, highlighting the importance of accurate tritium measurement and its spatial distribution within the vacuum vessel. Given ITER’s operational constraints, especially the limit on tritium retention, precise measurement is essential for both safety and regulatory compliance. To tackle these questions, the paper presents the T-monitor diagnostic system developed by Forschungszentrum Jülich, which uses Laser-Induced Desorption (LID) in combination with Diagnostic Residual Gas Analysis (DRGA) to measure hydrogen isotope concentrations on the surface of divertor tiles. The system integrates a high-power laser, advanced optical components, and a Fast Scanning Mirror Unit (FSMU) for accurate laser spot positioning with rapid response. Designed to measure in situ tritium retention, the diagnostic provides high-resolution spatial mapping, vital for evaluating detritiation strategies. The laser heating process increases the divertor surface temperature to 1600 K within the laser spot, promoting hydrogen isotope desorption. Accurate measurements require the precise control of laser parameters, including pulse duration and spot size, with a target relative accuracy of 20%. The optical design includes both in-vessel and ex-vessel components, such as durable high-reflectivity mirrors made of gold and copper, selected not only for their infrared performance but also for their transmission of visible wavelengths for observation purposes. To protect optical components from contamination, a pneumatic shutter is used.

Hydrogen isotopes↗
DOE OSTI2026

Testing of spark plasma sintered porous tungsten under neon glow discharge cleaning conditions in LTX-β

This paper demonstrates that tungsten (W) based powder reconstituted Plasma Facing Components (PFCs) can be treated in situ in a fusion reactor to remove W oxide and carbon (C) contamination. Doing so should ease the challenge of using these materials in a Capillary Porous System (CPS) with lithium (Li) by enabling better wetting and less contamination of the Li by the underlying CPS. Most powder reconstituted materials including 3D printed and sintered PFCs suffer from a high surface contamination from oxides and surface C, which complicates their use with liquid Li, a primary PFC candidate. Spark plasma sintered porous W samples were fabricated to be used as a CPS with liquid Li. The samples were characterized in terms of morphology and surface chemistry. Analysis confirms a high C and oxygen (O) contamination. We present the results of exposing this type of CPS to Glow Discharge Cleaning (GDC) cycles in the Lithium Tokamak Experiment-β (LTX-β). The sample was exposed to neon (Ne) GDC in the midplane of the low-field side of LTX-β and analyzed in vacuo with Temperature Programmed Desorption (TPD) and Secondary Ion Mass Spectrometry (SIMS) to investigate the effects the Ne GDC had on the chemical composition of the sample. The combination of Ne GDC with rapid heating as done in TPD was successful in reducing the W oxides and removing the C contamination.

Capillary porous system↗
DOE OSTI2025

Revealing and Engineering Assembly Pathways of 3D DNA Origami Crystals

Recent developments in nanomaterial self-assembly demonstrate the capability to create tailored nanostructures by engineering both the binding coordination and specificity of interactions between material subunits. DNA origami frames allow for the design and fabrication of a broad variety of ordered 3D nanoscale architectures through self-assembly, facilitated by frame-to-frame bonds with designable strength and specificity. While the bond design is critical to lattice formation, the assembly process itself is often dependent on a thermal pathway. Highly ordered nanoscale frameworks, assembled from DNA frames, are predominantly crystallized through thermal annealing pathways that typically follow a “slow” cooling approach, with experiments on the time scale of days yielding DNA origami crystals in the range of 1−10 μm. This extended assembly time scale hinders the study of crystal formation pathways, necessitating a deeper understanding of factors governing successful annealing. Lack of insight into time scale also presents a practical limitation for material fabrication. Here, we investigate key factors affecting lattice assembly pathways and demonstrate that precise engineering of assembly conditions greatly reduces assembly times by up to nearly 2 orders of magnitude. We evaluate the nucleation and growth of crystals via optical and electron microscopy, and small-angle X-ray scattering techniques, mapping the time−temperature-transformation of superlattices from the melt through single-crystal optical tracking. The results show that origami frame assembly can be described by classical nucleation and growth theory, which can, in turn, be used to prescribe the growth of the crystals. Lastly, these findings are applied to demonstrate thermal pathway-dependent assembly, forming distinct assemblies based on different thermal annealing profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Elucidating the Roles of Local and Nonlocal Rate Enhancement Mechanisms in Plasmonic Catalysis

Plasmonic metal nanoparticles (e.g., Ag, Au, and Cu) constitute a class of materials that interact with light via the excitation of localized surface plasmon resonance (LSPR). Numerous studies have reported substantial enhancements in the rates of chemical reactions on illuminated plasmonic nanoparticle catalysts compared to corresponding systems in the absence of illumination. There are two mechanisms that have been proposed to explain the LSPR-induced chemical reactivity. One mechanism assumes a local plasmon-induced hot charge-carrier-mediated activation of the reactants, while the other assumes an LSPR-induced equilibrium heating of the catalyst, which leads to energy transfer to and chemical reaction of the adsorbed reactants. Here, in this contribution, we developed a setup amenable to accurate in situ catalyst temperature and kinetic reaction rate measurements. We employed this setup to study the LSPR-induced rate enhancement in a case study of the CO oxidation reaction on plasmonic, monometallic Ag nanoparticle catalysts supported on α-Al 2 O 3 . We explored various Ag loadings and clustering levels. Our data show that the equilibrium heating of the catalyst cannot fully explain the illumination-induced plasmonic rate enhancements. This is the case even for high loading and clustering of Ag nanoparticles, where the equilibrium heating significantly increases. Based on the analysis, we propose that local effects, related to the plasmon-induced activation of adsorbates (reactants) via electronic excitation of the reactant or photothermal heating of the reactants that is highly localized to the individual nanoparticles, play a critical role in driving LSPR-induced chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Miscibility of rock and ice in the interiors of water worlds

Abstract Super-Earths and sub-Neptunes are the most common planet types in our galaxy. A subset of these planets is predicted to be water worlds, bodies that are rich in water and poor in hydrogen gas. The interior structures of water worlds have been assumed to consist of water surrounding a rocky mantle and iron core. In small planets, water and rock form distinct layers with limited incorporation of water into silicate phases, but these materials may interact differently during the growth and evolution of water worlds due to greater interior pressures and temperatures. Here, we use density functional molecular dynamics (DFT-MD) simulations to study the miscibility and interactions of enstatite (MgSiO 3 ), a major end-member silicate phase, and water (H 2 O) at extreme conditions in water world interiors. We explore pressures ranging from 30 to 120 GPa and temperatures from 500 to 8000 K. Our results demonstrate that enstatite and water are miscible in all proportions if the temperature exceeds the melting point of MgSiO 3 . Furthermore, we performed smoothed particle hydrodynamics simulations to demonstrate that the conditions necessary for rock-water miscibility are reached during giant impacts between water-rich bodies of 0.7–4.7 Earth masses. Our simulations lead to water worlds that include a mixed layer of rock and water.

79 ASTRONOMY AND ASTROPHYSICS↗