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At least 1,081 records · Page 60

Symplectic machine learning model for fast simulation of space-charge effects

Symplectic simulation of space-charge effects is crucial for the design and operation of high-intensity particle accelerators. Traditional methods for simulating these effects are often computationally expensive, resulting in significant overhead. In this work, we introduce a generative model based on a U-Net architecture within a generative adversarial network framework to efficiently simulate space-charge effects. The model is trained to predict the transverse multiparticle space-charge Hamiltonian, which can be physically computed using a gridless spectral method. The one-step symplectic transverse transfer map for the particles is then obtained by differentiating the predicted Hamiltonian. Benchmarking results demonstrate that this generative model achieves an order of magnitude higher computational efficiency compared to the spectral method, providing a highly efficient alternative for simulating space-charge effects with a large number of particles. By maintaining symplecticity, the model effectively preserves the phase-space structure and mitigates nonphysical errors in long-term simulations. This model has been integrated into jutrack, a novel autodifferentiable accelerator modeling code developed in the julia programming language.

Beam code development & simulation techniques↗

Measurement and Simulation of the Magnetic Fields from a 555 Timer Integrated Circuit Using a Quantum Diamond Microscope and Finite-Element Analysis

Quantum diamond microscope (QDM) magnetic field imaging is an emerging interrogation and diagnostic technique for integrated circuits (ICs). To date, the ICs measured with a QDM have been either too complex for us to predict the expected magnetic fields and benchmark the QDM performance or too simple to be relevant to the IC community. In this paper, we establish a 555 timer IC as a “model system” to optimize QDM measurement implementation, benchmark performance, and assess IC device functionality. To validate the magnetic field images taken with a QDM, we use a spice electronic circuit simulator and finite-element analysis (FEA) to model the magnetic fields from the 555 die for two functional states. Furthermore, we compare the advantages and the results of three IC-diamond measurement methods, confirm that the measured and simulated magnetic images are consistent, identify the magnetic signatures of current paths within the device, and discuss using this model system to advance QDM magnetic imaging as an IC diagnostic tool.

74 ATOMIC AND MOLECULAR PHYSICS↗

Scalable Implicit Solvers with Dynamic Mesh Adaptation for a Relativistic Drift-Kinetic Fokker–Planck–Boltzmann Model

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker–Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source. Here, we develop a new scalable fully implicit solver utilizing finite volume and conservative finite difference schemes and dynamic mesh adaptivity. A new data management framework in the PETSc library based on the p4est library is developed to enable simulations with dynamic adaptive mesh refinement (AMR), distributed memory parallelization, and dynamic load balancing of computational work. This framework and the runaway electron solver building on the framework are able to dynamically capture both bulk Maxwellian at the low-energy region and a runaway tail at the high-energy region. To effectively capture features via the AMR algorithm, a new AMR indicator prediction strategy is proposed that is performed alongside the implicit time evolution of the solution. This strategy is complemented by the introduction of computationally cheap feature-based AMR indicators that are analyzed theoretically. Numerical results quantify the advantages of the prediction strategy in better capturing features compared with nonpredictive strategies; and we demonstrate trade-offs regarding computational costs. The robustness with respect to model parameters, algorithmic scalability, and parallel scalability are demonstrated through several benchmark problems including manufactured solutions and solutions of different physics models. We focus on demonstrating the advantages of using implicit time stepping and AMR for runaway electron simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Towards Diverse and Representative Global Pretraining Datasets for Remote Sensing Foundation Models

The design of a pretraining dataset is emerging as a critical component for the generality of foundation models. In the remote sensing realm, large volumes of imagery and benchmark datasets exist that can be leveraged to pretrain foundation models, however using this imagery in absence of a well-crafted sampling strategy is inefficient and has the potential to create biased and less generalizable models. Here, we provide a discussion and vision for the curation and assessment of pretraining datasets for remote sensing geospatial foundation models. We highlight the importance of geographic, temporal, and image acquisition diversity and review possible strategies to enable such diversity at global scale. In addition to these characteristics, support for various spatial-temporal pretext tasks within the dataset is also critical. Ultimately, our primary objective is to place emphasis on and draw attention to the data curation stage of the foundation model development pipeline. By doing so, we think it is possible to reduce biases of geospatial foundation models, as well as enable broader generalization to downstream remote sensing tasks and applications.

Arndt, Jacob↗

Initial-State Dependent Optimization of Controlled Gate Operations with Quantum Computer

There is no unique way to encode a quantum algorithm into a quantum circuit. With limited qubit counts, connectivity, and coherence times, a quantum circuit optimization is essential to make the best use of near-term quantum devices. We introduce a new circuit optimizer called AQCEL, which aims to remove redundant controlled operations from controlled gates, depending on initial states of the circuit. Especially, the AQCEL can remove unnecessary qubit controls from multi-controlled gates in polynomial computational resources, even when all the relevant qubits are entangled, by identifying zero-amplitude computational basis states using a quantum computer. As a benchmark, the AQCEL is deployed on a quantum algorithm designed to model final state radiation in high energy physics. For this benchmark, we have demonstrated that the AQCEL-optimized circuit can produce equivalent final states with much smaller number of gates. Moreover, when deploying AQCEL with a noisy intermediate scale quantum computer, it efficiently produces a quantum circuit that approximates the original circuit with high fidelity by truncating low-amplitude computational basis states below certain thresholds. Our technique is useful for a wide variety of quantum algorithms, opening up new possibilities to further simplify quantum circuits to be more effective for real devices.

97 MATHEMATICS AND COMPUTING↗

Characterizing Wheel-Soil Interaction Loads Using Meshfree Finite Element Methods: A Sensitivity Analysis for Design Trade Studies

A wheel experiencing sinkage and slippage events poses a high risk to planetary rover missions as evidenced by the mobility challenges endured by the Mars Exploration Rover (MER) project. Current wheel design practice utilizes loads derived from a series of events in the life cycle of the rover which do not include (1) failure metrics related to wheel sinkage and slippage and (2) performance trade-offs based on grouser placement/orientation. Wheel designs are rigorously tested experimentally through a variety of drive scenarios and simulated soil environments; however, a robust simulation capability is still in development due to myriad of complex interaction phenomena that contribute to wheel sinkage and slippage conditions such as soil composition, large deformation soil behavior, wheel geometry, nonlinear contact forces, terrain irregularity, etc. For the purposes of modeling wheel sinkage and slippage at an engineering scale, meshfree nite element approaches enable simulations that capture su cient detail of wheel-soil interaction while remaining computationally feasible. This study implements the JPL wheel-soil benchmark problem in the commercial code environment utilizing the large deformation modeling capability of Smooth Particle Hydrodynamics (SPH) meshfree methods. The nominal, benchmark wheel-soil interaction model that produces numerically stable and physically realistic results is presented and simulations are shown for both wheel traverse and wheel sinkage cases. A sensitivity analysis developing the capability and framework for future ight applications is conducted to illustrate the importance of perturbations to critical material properties and parameters. Implementation of the proposed soil-wheel interaction simulation capability and associated sensitivity framework has the potential to reduce experimentation cost and improve the early stage wheel design proce

terramechanics↗

Towards provably efficient quantum algorithms for large-scale machine-learning models

Large machine learning models are revolutionary technologies of artificial intelligence whose bottlenecks include huge computational expenses, power, and time used both in the pre-training and fine-tuning process. In this work, we show that fault-tolerant quantum computing could possibly provide provably efficient resolutions for generic (stochastic) gradient descent algorithms, scaling as $\mathcal{O}$(T 2 x polylog($n$)), where n is the size of the models and T is the number of iterations in the training, as long as the models are both sufficiently dissipative and sparse, with small learning rates. Based on earlier efficient quantum algorithms for dissipative differential equations, we find and prove that similar algorithms work for (stochastic) gradient descent, the primary algorithm for machine learning. In practice, we benchmark instances of large machine learning models from 7 million to 103 million parameters. We find that, in the context of sparse training, a quantum enhancement is possible at the early stage of learning after model pruning, motivating a sparse parameter download and re-upload scheme. Our work shows solidly that fault-tolerant quantum algorithms could potentially contribute to most state-of-the-art, large-scale machine-learning problems.

97 MATHEMATICS AND COMPUTING↗

Primordial black hole dark matter: A quantitative parameter sensitivity comparison across formation mechanisms and particle candidates

Primordial black holes (PBHs) in the asteroid-mass window ( 10 17 – 10 22 g ) can account for all of the dark matter without violating any observational constraint, yet are routinely dismissed as fine-tuned. I put that dismissal to the test by applying three complementary sensitivity measures uniformly across a broad landscape: three noninflationary PBH production mechanisms, six classes of inflationary PBH models, and seven particle dark matter benchmarks, all evaluated against the same observable target. Three distinct naturalness universality classes emerge, determined entirely by the analytic structure of the abundance map rather than by the nature of the dark matter candidate. Biased-domain-wall PBHs, in their least model-dependent (free- V b ) form, have the same low sensitivity, Δ = 4.5 , as off-resonance weakly interacting massive particles and freeze-in particles ( Δ = 2 ), a sensitivity that, because it is constant over the entire parameter space of the construction, also coincides trivially with its own Wilson-normalized average within that parameter space (Section Definition and conventions), an equivalence that concerns only the space over which Δ is computed and is not a naturalness statement about the construction as a whole; a further reduction to Δ = 2 is possible only under the additional, independently motivated but not required, assumption that the domain-wall bias is generated by Planck-suppressed operators; early matter-domination PBHs occupy an intermediate tier alongside coannihilating weakly interacting massive particles (WIMPs), unified by a structural identity in which the sensitivity measure equals the logarithm of the ratio of the formation scale to the matter–radiation equality scale; first-order phase transition PBHs, once the more accurate super-exponential collapse probability is used in place of the single-exponential approximation, instead belong to the same highly sensitive tier as resonant WIMP annihilation and single-field inflationary collapse, for a structurally distinct reason; single-field ultraslow-roll inflationary collapse is severely tuned for a distinct reason: a double exponential in which the power spectrum amplitude is itself exponentially sensitive to the inflaton potential coefficients, on top of the exponential collapse sensitivity of the abundance map. My main conclusion is that the claim that PBH dark matter is generically fine-tuned conflates the worst case with a landscape spanning every naturalness tier. The Barbieri-Giudice sensitivity computed here and the Wilson-normalized measure of Iovino and Riotto answer distinct and mutually consistent questions about the same construction, a distinction I clarify within the two-layer decomposition.

Profumo, Stefano [University of California, Santa ↗

Knowledge-guided graph machine learning for spatially distributed prediction of daily discharge and nitrogen export dynamics

Spatially distributed prediction of streamflow and nitrogen export dynamics is essential for precision management of agricultural watersheds. While temporal deep learning models such as Long Short-Term Memory (LSTM) have shown strong performance at basin scales, their ability to generalize spatially is limited by insufficient representation of spatial dependencies and flow paths, particularly under data-scarce conditions. To address this gap, we propose HydroGraphNet, a knowledge-guided graph machine learning framework that integrates process-based knowledge and explicit spatial learning into temporal modeling. This framework incorporates directed graph topology to encode watershed connectivity and upstream inflows, with mass balance constraints to improve physical consistency. To enhance generalization in sparsely monitored regions, HydroGraphNet is pretrained on synthetic data generated by the SWAT+ (Soil and Water Assessment Tool Plus) model. We evaluated HydroGraphNet in the Upper Sangamon River Basin (44 HUC-12 subwatersheds, 2001–2020) against two LSTM baselines: a lumped basin-level model and a distributed variant. When benchmarked on SWAT+ simulations in pretraining, HydroGraphNet improved test NSEs by 8.9% (discharge) and 13.7% (NO₃–N load) in temporal extrapolation, and by 27.1% and 34.7% in spatial extrapolation, relative to the Lumped LSTM baseline. After fine-tuning with USGS monitoring data, the model achieved mean test NSE (KGE) scores of 0.768 (0.861) for discharge and 0.626 (0.664) for NO₃–N load, substantially outperforming baselines. Attribution analysis further highlighted the importance of upstream inflow representation and graph-based spatial learning in capturing cross-subwatershed dependencies. The model also reproduced seasonal hydrological and biogeochemical patterns consistent with known processes, demonstrating its robustness and process fidelity for spatially distributed prediction. Altogether, HydroGraphNet advances the integration of physical knowledge and spatially explicit learning in hydrological modeling, offering a generalizable framework for distributed modeling to support spatially targeted water quality management in data-scarce watersheds.

54 ENVIRONMENTAL SCIENCES↗

Benchmark Specification for Select Experiments Conducted at the University of Wisconsin-Madison Thermal Stratification Test Facility

The Department of Energy (DOE)-Nuclear Energy University Programs (NEUP) supported the creation and operation of the Thermal Stratification Test Facility (TSTF) at the University of Wisconsin Madison (UWM) as part of a larger effort to understand thermal stratification behavior in liquid-metal-cooled reactors. The TSTF was designed to simulate transients in a reactor plenum that are known to cause thermal stratification. High-reliability and high-resolution measurements of the flow and temperature were collected for use as experimental benchmarks to support validation efforts for computational models. The results of these tests contribute to the greater understanding of thermal stratification behavior of liquid sodium under various configurations and operating conditions. The six TSTF tests selected for benchmarking are a set of forced circulation tests at a fixed flow rate with different Upper Internal Structure (UIS) configurations in the test section (no UIS, solid UIS, and a UIS with flow area of 4, 8, 12, and 100%). This report provides a complete description of the benchmark problems, including all key test facility details, descriptions of each test condition, and measured data for comparison with modeled results.

42 ENGINEERING↗

Power Flow Models of Grid-Forming Inverters in Unbalanced Distribution Grids

Load unbalance in electric distribution systems is unavoidable. Unbalanced load currents will lead to negative sequence (NS) voltages that may damage electric equipment. Unbalanced power flow analysis is a common tool to detect and mitigate NS voltage issues and requires accurate models of grid components. While traditional source models are available, grid-forming (GFM) inverter models are not well developed. GFM inverters implement various control strategies, which affect their power flow models. Here, in this paper, a novel GFM inverter model considering control effects is proposed. We show that for some control methods, unbalanced system loading will lead to unbalanced terminal voltages of the GFM inverters, which are modeled through an equivalent negative sequence impedance. The proposed models are initially validated using a simple test circuit. Then, they are applied in the power flow analysis on the IEEE 13-bus and 34-bus systems to demonstrate the accuracy improvement over the state-of-the-art. Using time-domain simulations as benchmarks, we show that the proposed models reduce the calculation error of negative sequence voltages by at least 25% in unbalanced distribution systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ORBIT-2 Dataset for Scaling Exascale Vision Foundation Models for Weather and Climate Downscaling

This dataset release corresponds to the work conducted in ORBIT-2: Scaling Exascale Vision Foundation Models for Weather and Climate Downscaling, where large-scale AI methods were applied to improve climate and weather resolution. The collection integrates four widely used, publicly available datasets: ERA5, PRISM, DAYMET, and IMERG. To prepare the data for ORBIT-2 model training and evaluation, we applied a preprocessing pipeline that generates paired low-resolution and high-resolution samples, enabling supervised downscaling experiments. The transformation from coarse to fine scales was performed using bilinear regridding, consistent with the procedures described in WeatherBench2, a community benchmark for weather and climate AI models. This dataset supports the development and evaluation of foundation models designed for weather and climate downscaling at exascale. Additional details on methodology and applications can be found in Wang et al., ORBIT-2 (arXiv:2505.04802, 2025).

54 ENVIRONMENTAL SCIENCES↗

Third and Final Shuttle Mission of the Isothermal Dendritic Growth Experiment Conducted: Highest Supercooling Ever Recorded Achieved

Dendrites describe the treelike crystal morphology commonly assumed in metals and alloys that freeze from supercooled or supersaturated melts. There remains a high level of engineering interest in dendritic solidification because the size, shape, and orientation of the dendrites determine the final microstructure of a material. It is the microstructure that then determines the physical properties of cast or welded products. Although it is well known that dendritic growth is controlled by the transport of latent heat from the moving solid-liquid interface, an accurate and predictive model has not yet been developed. The effects of gravity-induced convection on the transfer of heat from the interface have prevented adequate testing, under terrestrial conditions, of solidification models. The Isothermal Dendritic Growth Experiment (IDGE) constituted a series of three microgravity experiments flown aboard the Space Shuttle Columbia. The apparatus was used to grow and record dendrite solidification in the absence of gravity-induced convective heat transfer, thereby producing a wealth of benchmark-quality data for testing solidification models and theories.

Glicksman, Martin E.↗

A study on the impact of using a subchannel resolution for modeling of large break loss of coolant accidents

The nuclear industry is investigating the feasibility of transitioning from 18- to 24-month fuel cycles because of the positive impact it would have on the operational costs for the current fleet of light-water reactors. A challenge to making this change is the increased risk of fuel fragmentation, relocation, and dispersal (FFRD) due to the known potential for ceramic fuel to pulverize into fine particles at the higher discharge burnups. Previous work has been performed by the Nuclear Energy Advanced Modeling and Simulation program to assess FFRD risk in high-burnup cores using the BISON fuel performance code and a coarse mesh thermal hydraulics (T/H) solution for a loss-of-coolant accident (LOCA) using the TRACE system T/H code. Because of the importance of the T/H solution for FFRD assessment, this study seeks to investigate the impact of using higher-fidelity subchannel techniques for modeling of the LOCA transient. CTF was used to model a subregion of a high-burnup core that was depleted by the Virtual Environment for Reactor Applications (VERA) multiphysics core simulator. Both coarse-mesh and pin-resolved models were created in CTF, and a consistent coarse-mesh TRACE model was also developed to allow for benchmarking the code results. Further, a large-break loss-of-coolant accident (LBLOCA) reflood transient was simulated using these three models, and results were compared. Results showed some consistent differences between the CTF and TRACE coarse models, including a higher peak cladding temperature (PCT) prediction in CTF and later quenching in CTF; however, the transient clad temperature behavior was similar, and these differences are likely due to post-critical heat flux heat transfer modeling differences and minimum film boiling temperature model differences. The pin-resolved results indicate that the PCT in the lumped model is often under-predicted by as much as 70 °C and that PCT occurs at a different location than the high-power pin in the assembly. The lumped model predicts a difference of 10 °C or less between the average and hot pins in the assembly, whereas the pin-resolved model predicts a range of over 100 °C. These results indicate that higher-fidelity T/H results may have an impact on predicted core behavior during LOCA, which may be important to consider when assessing FFRD risk.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Spectroscopic Determination of the Physical Conditions in Hot, Optically Thin Sources

This annual report covers the period from Oct 1, 2000 to Sep 30, 2001. The Astrophysics Plasma Emission Code and Database (APEC/APED), developed in part under this grant, have been upgraded to Version 1.1 and are now beginning to be used outside our research group in applications to X-ray spectral data from Chandra and XMM-Newton. These models represent the best theoretical data currently available and are reasonably complete below about 30 angstroms. Stellar coronae are being used to benchmark the atomic data in APED as part of the Emission Line Project. Initial results suggest that the models for most of the strongest lines are in good agreement with the observations, including the H-like and He-like emission from dominant elements and the Fe L shell emission, both near 1 keV and in the extreme ultraviolet near 100 eV. At this point in time, we define 'good agreement' at the level of accuracy expected from the atomic physics, approximately 20-30%. In order to benchmark the spectral models beyond the canonical theoretical accuracy, we are working closely with the Chandra gratings calibration group to ensure that we are using the optimal calibration, primarily effective areas and line response functions.

Brickhouse, N.↗

Development of an Improved RELAP5-3D Model for the High Temperature Test Facility

High-temperature gas-cooled reactors (HTGRs) are rapidly approaching deployment. Confidence in transient analysis of these systems requires modeling and simulation tools that have been validated against data relevant to HTGR conditions. The High Temperature Test Facility (HTTF) is an integral effects thermal hydraulics test facility for prismatic HTGRs. In spring and summer of 2019, HTTF was used for a series of experiments that now serve as the basis for the Organization of Economic Cooperation and Development / Nuclear Energy Agency Thermal Hydraulic Code Validation Benchmark for High Temperature Gas-Cooled Reactors using HTTF Data (HTGR T/H Benchmark). Previous analyses as part of the HTGR T/H benchmark used a RELAP5-3D model developed at Idaho National Laboratory (INL) and demonstrated an ability to reproduce trends in the measured data but difficulties reproducing experimental values within their uncertainty. These difficulties were largely attributed to assumptions made during the development of the initial RELAP5-3D model, which predated the HTTF experiments. A significant cause of difficulty reproducing the measured temperatures may be the radial nodalization of the previous RELAP5-3D model. In this paper, we present a new RELAP5-3D model of HTTF with finer radial nodalization built to assess the impact of radial heat transfer. We describe the new model and compare it against the old one at full-power steady state and for the pressurized conduction cooldown (PCC) transient. These analyses are based on the code-to-code comparison exercise for the PCC problem of the HTGR T/H benchmark. We compare maximum block temperature as the primary figure of merit and include discussion on intracore natural circulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Explainable machine learning for incipient anomaly detection in compact molten salt heat exchanger with overlapping feature distributions

High-temperature molten salt-cooled reactors (MSCRs) are a promising next-generation nuclear technology option, offering efficient power conversion and inherent safety features. However, the reliability of these systems depends on the robust operation of heat exchangers (HXs), which are susceptible to failure due to temperature gradients and channel plugging caused by fluid freezing. Conventional monitoring methods, relying on inlet and outlet measurements, lack the spatial resolution needed to detect early-stage faults. We propose a novel design of a compact salt-to-salt matrix-type HX design consisting of interleaved arrays of parallel tubes, with integrated synthetic fiber optic distributed temperature sensing (DTS) to enable localized detection of incipient faults. To evaluate performance of this design, we generate high-fidelity synthetic data using heat transfer computational modeling to simulate channel plugging, and introduce sensor noise for realistic modeling of measurements. The dataset comprises of 97% normal operation and 3% anomaly cases, with each anomaly class representing 1% of the data. These early anomalies result in overlapping temperature profiles between normal and faulty channels, producing a non-separable dataset that challenges traditional classification techniques. We benchmark eight supervised machine learning (ML) models and demonstrate that XGBoost achieves the highest performance. To improve transparency, we develop an explainability framework combining Shapley values and partially ordered sets (POSETs) to quantify and structurally analyze feature importance. This approach identifies both dominant predictors and ambiguous feature relationships, enhancing trust and interpretability. Our results highlight the potential of combining DTS and explainable ML with intelligent feature selection to improve predictive maintenance and ensure operational resilience in advanced nuclear systems.

Prantikos, Konstantinos [Argonne National Laborato↗

Modeling receiver flux of commercial power tower concentrating solar power plants using ray tracing: a round-robin comparison of SolTrace, Solstice, and TieSOL

This study presents a multi-stage, cross-validation comparison of three software packages for Monte Carlo ray tracing (MCRT) applied to central tower concentrating solar power (CSP) systems. The three packages evaluated are: (1) SolTrace, an open-source tool developed by the National Renewable Energy Laboratory (NREL); (2) Solstice, an open-source program created by CNRS-PROMES and Meso-Star, with enhancements for CSP applications (called solsticepy) from the Australian National University; and (3) TieSOL, a commercial software developed by Tietronix. This investigation extends previous ray tracing comparisons by incorporating models of multi-facet heliostats within a commercial-scale solar field, taking into account zoned focal lengths and canting configurations. Receiver flux distributions were compared across the tools using a series of case studies, including single-heliostat scenarios, isolated blocking situations, and comprehensive full-field simulations. The case studies were designed to diagnose differences across the models at varying levels of complexity, and to identify and resolve discrepancies as additional parameters were introduced. Key factors examined in the analysis include sun positions, heliostat location, facet and canting focus, and aimpoint strategies. The comparison aims to improve the accuracy and reliability of these tools while providing benchmark cases for validating future optical modeling tools.

14 SOLAR ENERGY↗