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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 181 records · Page 10

Demonstration of a Novel Phase-Space Painting Method in a Coupled Lattice to Mitigate Space Charge in High-Intensity Hadron Beams

Multiturn charge-exchange injection is the primary method of creating high-intensity hadron beams in circular accelerators, and phase space painting during injection enables tailoring of the accumulated phase space distribution. A technique we call eigenpainting allows injection of particles into a single mode of a coupled ring, providing full four-dimensional control of the phase space distribution. Under ideal conditions, uniform eigenpainting generates a linear-force equilibrium distribution in the transverse plane, with zero volume in four-dimensional transverse phase space, even including space charge. Here, we have implemented eigenpainting for the first time in the spallation neutron source accumulator ring. Injecting 8.8 μ⁢C of an 800 MeV beam, we obtain a final ratio of intrinsic transverse emittances of ≈2.4. We analyze the effect of space charge on the final distribution through comparison of the reconstructed phase space to particle-in-cell simulations.

Evans, Nicholas J. [Oak Ridge National Laboratory ↗

Generative deep-learning reveals collective variables of Fermionic systems

Complex processes of fermionic systems ranging from protein folding to nuclear fission often follow a low-dimensional reaction path parametrized in terms of a few collective variables. In nuclear theory, variables related to the shape of the nuclear density in a mean-field picture are key to describing the large amplitude collective motion of the neutrons and protons. Exploring the adiabatic energy landscape spanned by these degrees of freedom reveals the possible reaction channels while simulating the dynamics in this reduced space yields their respective probabilities. Unfortunately, this theoretical framework breaks down whenever the systems encounters a quantum phase transition with respect to the collective variables. Here, in this study, we introduce a novel generative deep-learning algorithm designed to build reaction paths that ensure that the many-fermion wave function stays differentiable with respect to the collective variables. This approach is applicable to any fermionic system described by a coherent state. We use the case of potential energy curves in the 16 O nucleus within the Hartree-Fock theory to illustrate its main features.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Intelligent Sampling of Extreme-Scale Turbulence Datasets for Accurate and Efficient Spatiotemporal Model Training

With the end of Moore’s law and Dennard scaling, efficient training increasingly requires rethinking data volume. Can we train better models with significantly less data via intelligent subsampling? To explore this, we develop SICKLE, a sparse intelligent curation framework for efficient learning, featuring a novel maximum entropy (MaxEnt) sampling approach, scalable training, and energy benchmarking. We compare MaxEnt with random and phase-space sampling on large direct numerical simulation (DNS) datasets of turbulence. Evaluating SICKLE at scale on Frontier, we show that subsampling as a preprocessing step can, in many cases, improve model accuracy and substantially lower energy consumption, with observed reductions of up to 38×.

Brewer, Wes [ORNL] (ORCID:0000000236393956)↗

Nonlinear manifold reduced order model

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov n-width. However, for physical phenomena not of this type, e.g., any advection-dominated flow phenomena such as in traffic flow, atmospheric flows, and air flow over vehicles, a lowdimensional linear subspace poorly approximates the solution. To address cases such as these, we have developed a fast and accurate physics-informed neural network ROM, namely nonlinear manifold ROM (NM-ROM), which can better approximate high-fidelity model solutions with a smaller latent space dimension than the LS-ROMs. Our software takes advantage of the existing numerical methods that are used to solve the corresponding full order models. The efficiency is achieved by developing a hyper-reduction technique in the context of the NM-ROM. Numerical results show that neural networks can learn a more efficient latent space representation on advection-dominated data from 1D and 2D Burgers' equations. A speedup of up to 2.6 for 1D Burgers' and a speedup of 11.7 for 2D Burgers' equations are achieved with an appropriate treatment of the nonlinear terms through a hyper-reduction technique.

Choi, Youngsoo↗

Samoa Updater: An Application of the Levenberg-Marquardt Method to Update DELFIC Predictions Using Field Measurements

The US Department of Energy (DOE) Forensics Operations (DFO) is a member of the Ground Collections Task Force (GCTF), which is responsible for sample collection of radiological debris for attribution should a nuclear detonation ever occur in the United States. The DFO runs the Defense Land Fallout Interpretive Code (DELFIC) Fallout Planning Tool to predict the deposition of fallout from a nuclear detonation. This prediction is refined using the DELFIC Updater tool, which takes ground measurements and adjusts DELFIC inputs to minimize the difference between prediction and observation, yielding improved predictions of fallout in locations both measured and not yet measured. Samoa, a framework for uncertainty analysis and optimization, is used to improve DELFIC predictive fallout modeling. This new capability using Samoa, dubbed “Samoa Updater,” is compared with the current DELFIC Updater, a brute-force sampling approach. Samoa Updater uses the Levenberg– Marquardt (LM) method, a gradient-based nonlinear least squares approach that uses the functional shape of the input space to increase optimization speed. In simulated test cases Samoa Updater yields faster and more accurate solutions than the current Updater.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

$B\rightarrow D^{(*)}$ decays from $N_f=2+1+1$ highly improved staggered quarks and clover $b$-quark in the Fermilab interpretation

We present an update on the analysis of semileptonic $B\rightarrow D^{(*)}$ decays at non-zero recoil. Our computation employs $2 + 1 + 1$ FNAL-MILC ensembles with highly improved staggered quark (HISQ) action for sea and light valence quarks, while the bottom quark is treated using the clover action in the Fermilab interpretation. Simulations are performed across several lattice spacings, ranging approximately from $\sim 0.15$ fm to $\sim 0.06$ fm, and for various quark masses. We will present an overview of the analysis and show some preliminary results for the form factors.

DeTar, Carleton [Utah U.] (ORCID:0000000202166771)↗

A Refined BISON-Griffin Workflow For Designing Targeted TRISO Transient Experiments In The Transient Reactor Test Facility

U.S. industry is expected to deploy tristructural isotropic (TRISO) particle fuel technologies for commercial reactors within the next decade. In our previous work, we defined a preliminary transient design space for TRISO fuels, identified potential gaps in the available data, and began to develop multiphysics modeling tools that could be applied to design targeted Transient Reactor Test Facility (TREAT) experiments to fill these gaps. This work builds on that foundation by (1) updating BISON fuel performance and Griffin reactor physics models to reflect the current TREAT experiment tube and capsule designs,(2) coupling the codes to improve the accuracy and usability of the transient design analyses, and (3) demonstrating their use over an expanded design space that includes fuel burnup. The simulated mechanical responses of the TRISO particles were complex functions of fission product accumulation, fission gas release, and irradiation-induced dimensional change in the pyrolytic carbon layers. Predicted tangential stresses in particle silicon carbide layers were least compressive for preheated tests involving fresh fuels but remained compressive throughout the ranges of temperature, heat rate, and burnup considered in this work. Finally, comparisons between the potential TREAT transients and historical test reactor irradiations showed that the TREAT tests would produce significantly lower average energy deposition rates, yielding less severe transients with greater relevance to near-term commercial applications. Use of these predictive capabilities has the potential to increase the value of each test, improving the overall efficiency and cost effectiveness of transient testing for TRISO and other advanced fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multifrequency Models of Black Hole Photon Rings from Low-luminosity Accretion Disks

Images of black holes encode both astrophysical and gravitational properties. Detecting highly lensed features in images can differentiate between these two effects. We present an accretion disk emission model coupled to the Adaptive Analytical Ray Tracing (AART) code that allows a fast parameter space exploration of black hole photon ring images produced from synchrotron emission from 10 to 670 GHz. As an application, we systematically study several disk models and compute their total flux density, average radii, and optical depth. The model parameters are chosen around fiducial values calibrated to general relativistic magnetohydrodynamic (GRMHD) simulations and observations of M87*. For the parameter space studied, we characterize the transition between optically thin and thick regimes and the frequency at which the first photon ring is observable. Our results highlight the need for careful definitions of photon ring radius in the image domain, as in certain models the highly lensed photon ring is dimmer than the direct emission at certain angles. We find that at low frequencies the ring radii are set by the electron temperature, while at higher frequencies the magnetic field strength plays a more significant role, demonstrating how multifrequency analysis can also be used to infer plasma parameters. Lastly, we show how our implementation can qualitatively reproduce multifrequency black hole images from GRMHD simulations when adding time variability to our disk model through Gaussian random fields. This approach provides a new method for simulating observations from the Event Horizon Telescope and the proposed Black Hole Explorer space mission.

79 ASTRONOMY AND ASTROPHYSICS↗

Thermo-hydro-mechanical analysis of subsurface ice-based thermal energy storage

Ice-based thermal energy storage systems are widely utilized for cooling and managing peak electrical demand globally, offering daily or weekly storage capabilities for both individual homes and larger office buildings. However, scaling these systems for district-level cooling or integrating them with renewable energy sources presents challenges, especially in accommodating larger volumes and addressing seasonal storage requirements in densely populated urban areas. This paper proposes a novel solution by evaluating subsurface ice-based thermal energy storage, in which the underground is subjected to seasonal freeze/thaw cycles. However, these cycles may influence ground behavior, affecting pore pressure and inducing ground movement. To systematically investigate these challenges, we enhance the TOUGH-FLAC simulator by integrating water/ice phase change capabilities and updating the effective stress–strain constitutive relation. Both modifications are validated against analytical solutions or experimental data. Through numerical simulations spanning a decade with ten seasonal freeze/thaw cycles, we evaluate the performance and long-term stability of a generic subsurface ice-based thermal energy storage system, considering factors such as ground permeability, freezing pipe spacing, freeze/thaw damage, and glycol solution temperature. The simulations indicate that ice formation induces pore pressure variations that drive seasonal surface heave and settlement, controlled by ground permeability, pipe spacing, and glycol solution temperature, along with tensile and localized shear deformation around freeze pipes. This highlights the need for accurate ground property characterization and geomechanical analysis for subsurface ice-based thermal energy storage.

Ground freezing↗

Effects of interlayer spacing and applied pressure on the lanthanide transport in MoS 2 -based two-dimensional channels

Rare-earth elements (REEs) are critical to modern industry but difficult to separate due to their subtle and monotonic changes in physicochemical properties. MoS 2 -based two-dimensional (2D) materials offer novel opportunities for enhancing REE separation, exhibiting a distinct volcano-shaped transport performance distribution that peaks at Sm 3+ . However, the specific contributions of thermodynamic and kinetic factors to ion transport within 2D confinement remain unclear. In this study, we conducted a series of non-equilibrium all-atom molecular dynamics (MD) simulations to explore the effects of interlayer spacing and external pressure on the transport of lanthanide ions in Å-scale acetate functionalized 2D MoS 2 (MoS 2 -COOH) channels. We examined ion entry and permeation rates, water flux, dehydration, and binding modes. The simulation results reveal that the transport trends of lanthanide ions are jointly driven by the dehydration degree and the relative-binding strengths of ions to water and to the acetate within the 2D channels. Notably, the dehydration pattern of lanthanide ions during permeation is closely linked to kinetic factors. Overall, this study provides a detailed atomistic understanding of the mechanisms underlying lanthanide ion transport under confinement. These findings point to the significant potential for tuning confinement and chemical functionalization within Å-scale channels for more efficient REE separation.

2D channels↗

Inertial Confinement Fusion Design Search Using Bayesian Optimization

Inertial confinement fusion (ICF) experiments rely on complex multi-physics simulation codes such as the Lawrence Livermore National Laboratory-developed HYDRA to guide design work. However, these simulations have several dozen tunable parameters and can be computationally expensive. This makes searching the parameter space challenging and time-consuming. Recently developed automated tools utilize Bayesian optimization to search these high-dimensional parameter spaces for optimal designs. The optimization tools run 2D integrated simulations in HYDRA to converge on a design that produces specified scalar or vector outputs. In this paper, we apply the Bayesian optimization tools to two common tuning scenarios. First, we tune simulation inputs to match measurements of a well-characterized experiment at the National Ignition Facility. This type of tuning is commonly performed to compensate for the use of simplified simulation settings (e.g. reduced resolution) or to account for missing physics in the simulations. Second, we search for an ICF simulation design that has a particular radiation drive profile. These optimizations replicate the kinds of tuning researchers routinely perform, but do so with significantly reduced manual effort. This approach demonstrates a powerful and efficient pathway toward autonomous, high-fidelity design optimization for future ICF experiments.

Bayesian optimization↗

Augmenting a Simulation Campaign for Hybrid Computer Model and Field Data Experiments

The Kennedy and O’Hagan (KOH) calibration framework uses coupled Gaussian processes (GPs) to meta-model an expensive simulator (first GP), tune its “knobs” (calibration inputs) to best match observations from a real physical/field experiment and correct for any modeling bias (second GP) when predicting under new field conditions (design inputs). There are well-established methods for placement of design inputs for data-efficient planning of a simulation campaign in isolation, that is, without field data: space-filling, or via criterion like minimum integrated mean-squared prediction error (IMSPE). Analogues within the coupled GP KOH framework are mostly absent from the literature. Here, in this study, we derive a closed form IMSPE criterion for sequentially acquiring new simulator data for KOH. We illustrate how acquisitions space-fill in design space, but concentrate in calibration space. Closed form IMSPE precipitates a closed-form gradient for efficient numerical optimization. We demonstrate that our KOH-IMSPE strategy leads to a more efficient simulation campaign on benchmark problems, and conclude with a showcase on an application to equilibrium concentrations of rare earth elements for a liquid–liquid extraction reaction.

97 MATHEMATICS AND COMPUTING↗

Object-oriented analysis as a foundation for building climate storylines of compounding short-term drought and crop heat stress

Introduction: Crops are vulnerable to precipitation and heat extremes during late spring through summer. Methods: We analyzed for a north-central U.S. region short-term drought and agricultural heat stress during April-May-June-July. We used the 4-km Parameter Elevation Regression on Independent Slopes Model (PRISM) for observations, aggregated to a 25-km grid, and two 25-km Regional Climate Model version 4 (RegCM4) simulns used either GFDL- or MPI-GCM boundary conditions. We chose 1981-2000 as our contemporary time period, and 2041- 2060 as our scenario time period, which used the Representative Concentration Pathway 8.5 emissions scenario. We used object-oriented analysis to identify events of interest in observations and simulations by identifying objects in a space-time domain that meet specified criteria, such as exceeding a heat-stress temperature threshold. The event diagnosis allowed analysis of compound events, occurring when temperature and drought objects overlap. Results: Identified objects yielded events that can undermine agricultural productivity and which are thus relevant to decision makers, making them building blocks for possible climate storylines. The observations and simulations showed similar spatial distributions of event frequencies across the analysis region. However, the simulations attained this distribution by having fewer events that tend to cover larger areas compared to observed events, suggesting that the effective resolution of the simulations was coarser than their 25-km grids. Short-term drought frequency increased and heat-stress frequency decreased in transitioning to the scenario climate. When compounding occurred heat-stress events generally preceded the short-term drought events. The overlapping, compound events tended to be more extreme compared to non-overlapping events of either type. Discussion: The information yielded projected changes in these agriculturally motivated events. One prominent conditional behavior emerging from the work was that a heat-stress event should be a warning to watch for potential drought, as both could compound each other to more intense levels.

54 ENVIRONMENTAL SCIENCES↗

slewpy

slewpy is a Python package that allows the simulation of the science operations of an astrophysics space satellite mission. slewpy allows users to specify an astronomical target list with observing priorities and a satellite configuration (i.e., orbit and various satellite parameters). Taking these inputs, slewpy can be used to run a time-resolved simulation of an astrophysics mission and outputs simulated target observations given constraints such as satellite slewing rates between targets, observing time on a given target, and Sun-, Earth-, and Moon-limb observing constraints. slewpy provides the tools to test astrophysics space satellite mission designs against observing requirements for a given science case.

Geringer-Sameth, Alex [Lawrence Livermore National↗

Determining Levels of Detail for Simulators of Parallel and Distributed Computing Systems via Automated Calibration

There are two sources of inaccuracy when simulating parallel and distributed computing systems: (i) a simulator implemented at an insufficient level of detail; and (ii) incorrectly calibrated simulation parameter values. Increasing the simulator’s level of detail can improve accuracy, but at the cost of higher space, time, and/or software complexity. Furthermore, evaluating the intrinsic accuracy of a simulator requires that its parameters be well-calibrated. Making decisions regarding the level of detail is thus challenging. We propose a methodology for instantiating the simulation calibration process and a framework for automating this process, which makes it possible to pick appropriate levels of detail for any simulator. We demonstrate the usefulness of our approach via two case studies for two different domains.

McDonald, Jessie [University of Hawaii at Manoa, H↗

Navigating Uncertainty: Challenges in Visualizing Ensemble Data and Surrogate Models for Decision Systems

Uncertainty visualization plays a critical role in transforming ensemble simulation data into actionable insights by effectively communicating various dimensions of uncertainty within a system. The emergence of artificial intelligence-driven surrogate models trained on multirun ensemble data offers a transformative opportunity to replace computationally intensive simulations with fast estimates, enabling users to explore data spaces with unprecedented depth and interactivity. However, integrating ensemble data and surrogate models into decision-making workflows and tools introduces novel challenges for uncertainty visualization. These include reconciling and clearly communicating the unique uncertainties associated with ensembles and their surrogate model estimates, and leveraging these approximations to inform actionable decisions. This work explores these challenges in the context of high-dimensional data visualization, bridging discrete datasets with their continuous representations and addressing the complexities of systems that support iterative navigation between input and output spaces. We evaluate the role of uncertainty visualization in fostering intuitive, actionable interactions and identify critical hurdles in advancing this frontier of computational simulation.

97 MATHEMATICS AND COMPUTING↗

Dimorphos’s Material Properties and Estimates of Crater Size from the DART Impact

On 2022 September 26, the Double Asteroid Redirection Test (DART) spacecraft intentionally collided with Dimorphos, the moon of the binary asteroid system 65803 Didymos. This collision provided the first full-scale test of a kinetic impactor for planetary defense. Images from DART’s DRACO camera revealed Dimorphos to be an oblate spheroid covered in boulders of varying sizes and shapes. Very little was known about Dimorphos prior to DART’s impact, including its shape, structure, and material properties. Approach observations and those following the DART impact have provided crucial knowledge that narrows the parameter space relevant to modeling the impact into Dimorphos. Here we present the results of a suite of hydrocode simulations of the DART impact on Dimorphos. Despite remaining uncertainties, initial models of DART’s kinetic impact provide important information about the results of DART (e.g., potential crater size and morphology, ejecta mass) and the properties of Dimorphos. Simulations here suggest that Dimorphos has near-surface strength ranging from a few Pascals to tens of kPa, which corresponds to crater sizes of ~40–60 m. Simulated crater sizes provide a crucial comparison metric for the European Space Agency Hera mission when it arrives at the Didymos system. Hera’s measurement of crater size in combination with measurement of Dimorphos’s mass will allow us to assess our simulations and provide the information needed to make the DART impact experiment both the first test of a planetary defense mitigation mission and the first full-scale planetary defense simulation validation exercise.

36 MATERIALS SCIENCE↗

Consolidation and Permeability of the B1 and D1 Gas Hydrate Bearing Sands and Associated Seal Sediments of the Extended-Duration Gas Production Test Site on the Alaska North Slope

Gas hydrate, a solid combination of gas (mostly methane in nature) and water molecules stable at low temperatures and elevated pressures, occurs naturally in marine and permafrost-associated environments. Gas hydrate reservoirs, such as those in the Alaska North Slope, have been considered potential energy resources for gas production. To understand the petrophysical and geo-mechanical characteristics of the reservoir, core samples retrieved from the site of the JOGMEC-DOE-USGS collaborative gas hydrate R&D project have been analyzed in the laboratory for their hydraulic and mechanical properties. This paper focuses on both seal and reservoir samples associated with the B1 and D1 sands, which are evaluated for index properties (including porosity, grain size distribution, liquid and plastic limits, specific surface area, and specific gravity), consolidation, permeability, and water retention. Furthermore, the reservoir core samples were tested with pore-filling, laboratory-grown tetrahydrofuran hydrate, in order to assess reservoir behavior during gas production from hydrates. Under simulated in situ stress conditions, the seal and hydrate-free reservoir cores had a permeability anisotropy ratio of k h /k v = 3.0−5.0, and k h /k v = 2.4−3.0 for the reservoir tetrahydrofuran hydrate-bearing cores. The data suggest that depressurizing the reservoir to induce hydrate dissociation alters the reservoir effective permeability in three ways: permeabilities decrease due to porosity lost (e.g., the initial reservoir thickness can decrease by up to 5% upon 7 MPa depressurization), permeability increases due to the loss of solid hydrate in the pore space, and permeability anisotropy k h /k v decreases in response to the evolving pore-space geometry. We show that given the simulated in situ gas hydrate saturations (i.e., S h = 32% in core 7P-2E and S h = 21% in core 20P-4), gas production from the dissociation of tetrahydrofuran hydrate in the two tested cores results in a net increase in effective permeability and a decrease in k h /k v . This study highlights the importance of investigating seal and reservoir sediments and the impacts of depressurization on the porosity and permeability responses during production.

Geological materials↗