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DOE OSTI2026

Adiabatic Longitudinal Island Formation Due to Phase Modulation Using BLonD

The studies of adiabatic island generation through tracking near the quarter integer resonance and separately, through phase modulation was conducted using the accelerator code BLonD. Parameters from the Hadron Storage Ring (HSR) were used in the model. The demonstration of resonance island formation through phase modulation will help to understand this possible source of beam dilution during the store and further control of the bunch shaping. In this document, an algorithm to calculate the 5 th , 7 th , and N th order resonances is given, tracking results are presented, and the stable fixed point calculations with comparison to Poincaré contours are given.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Effects of a magnetic field on hot electron generation from laser-plasma instabilities

We performed two-dimensional simulations of turbulent laser-plasma instabilities in the presence and absence of external magnetic fields using the Laser Plasma Simulation Environment (LPSE) code. The results demonstrate that, in the presence of a magnetic field, the transition from ballistic to gyrating electron motion enhances the energy transfer from electron plasma waves to the electron population. Although stronger magnetic fields produce a larger population of hot electrons, these electrons tend to remain confined near the quarter-critical density, where the instabilities also localize, thereby reducing the potential for hot electron transport deeper into the target. Additionally, we present a scaling analysis that quantifies hot electron generation as a function of plasma electron temperature, density scale length, and applied magnetic field strength. These findings may have important applications for controlling hot electron flux and mitigating preheat in inertial confinement fusion targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Developing an Interactive OpenMP Book with Large Language Models

Abstract. This paper presents an approach to authoring a textbook titled Interactive OpenMP Programming with the assistance of Large Language Models (LLMs). The writing process utilized state-of-the-art LLMs, including Gemini Pro 1.5, Claude 3, and ChatGPT-4, to generate the initial structure and outline of the book, as well as the initial content for specific chapters. This content included detailed descriptions of individual OpenMP constructs and practical programming examples. The outline and content have then undergone extensive manual revisions to meet our book goals. In this paper, we report our findings about the capabilities and limitations of these LLMs. We address critical questions concerning the necessity of textbook resources and the effectiveness of LLMs in creating fundamental and practical programming content. Our findings suggest that while LLMs offer significant advantages in generating textbook content, they require careful integration with traditional educational methodologies to ensure depth, accuracy, and pedagogical effectiveness. The Interactive OpenMP Programming book is developed with the framework of Jupyter Book, enabling the execution of code within the book from the web browser, providing instant feedback and a dynamic learning experience that stands in contrast to traditional educational resources. The book represents a significant step towards modernizing programming education, offering insights into practical strategies for generating the textbook through advanced AI tools.

Large Language Model · OpenMP · Interactive Book ·↗

DOE OSTI2025

Automated Direct Perturbation Calculations with SCALE TSUNAMI [Abstract]

In nuclear criticality safety analysis, the sensitivity of the eigenvalue keff to uncertainties in nuclear data and its evaluation are crucial. The TSUNAMI sequences within the SCALE code system offer users various options with both multigroup (MG) and continuous-energy (CE) 3D Monte Carlo (MC) transport capabilities for calculating keff sensitivity coefficients and storing them in a sensitivity data file (SDF). Each methodology available in TSUNAMI offers distinct advantages and limitations, and its effectiveness can vary based on the specific problem being solved. As a best practice, practitioners typically use the direct perturbation (DP) method as a confirmatory step alongside their sensitivity calculations to verify the accuracy of the sensitivity data generated. In this process, DP calculations are usually performed on select nuclides, those considered most important for validating their total sensitivities. However, because of code limitations, analysts use a workaround method when conducting DP calculations for a single nuclide: rather than perturbing the nuclide's microscopic cross section, an equivalent number density for this nuclide is calculated to reflect the effect of a change in the macroscopic cross section due to a perturbation in the microscopic cross section. The current approach requires rerunning the CSAS criticality calculation several times with model changes. Although this method can yield results with acceptable accuracy, it is labor-intensive and prone to errors.

AZURE: SAMMY↗

DOE OSTI2025

Equilibrium Core Model for Micro Pebble Bed Reactors Using OpenMC

Estimating the equilibrium state for pebble bed reactors (PBRs) presents complex challenges as it requires simultaneous consideration of changes in the pebbles’ movement as well as their fuel compositions. Whereas traditional approaches use multigroup diffusion codes for neutronics calculations of PBRs’ equilibrium state, the double-heterogeneity of PBRs complicates neutron cross-section generation. Continuous-energy Monte Carlo (MC) methods are better suited for detailed PBR analysis because of their natural handling of double-heterogeneity, but they demand substantially more computational resources. Here, this study introduces a novel method for efficiently estimating the equilibrium state in small and micro PBRs with reduced computational cost. The method is anticipated to accelerate the processes of core design and performing parametric studies for utilizing advanced fuel and structural materials. The HTR-10 reactor design was used for validating the method’s predictions and evaluating its computational efficiency. When compared to reference calculation values from the literature, criticality (k-effective) was predicted to be approximately within the margin of error of the MC transport calculation, average core power density (in megawatts per cubic meter) was predicted within 2.5% relative error, and maximum thermal flux (10 13 n/cm 2 .s −1 ) was predicted within 1.8% relative error. The calculated inventory of fission products and fuel composition in the equilibrium core were within 15% and 16.6%, respectively, when compared to reported values from the literature. The difference is attributed to variance in the considered values of the core temperature, which was found to significantly affect the depletion analyses.

Equilibrium core↗

DOE OSTI2024

System Level Analysis Software Validation with Argonne's THETA Experimental Facility (Final CRADA Report)

Under this CRADA, the Contractor will be generating and collecting sodium-based experimental data with modern instrumentation. The Contractor will work symbiotically with the Participant to generate SAS4A/SASSYS-1 and SAM computational models of the THETA experimental facility for validation of the system-level analysis codes utilized by Oklo, Inc. This effort will be specifically focused on the design basis event space scoped by Chapter 15 of the NRC’s Standard Review Plan (NUREG-0800) with an emphasis on natural circulation and thermal stratification phenomena in a prototypic sodium-cooled fast reactor (SFR).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Partially Ionized Plasma Physics and Technological Applications

Partially ionized plasma physics has attracted increased attention recently due to numerous technological applications made possible by the increased sophistication of computer modelling, the depth of the theoretical analysis, and the technological applications to a vast field of manufacturing for computer components. Partially ionized plasma is characterized by a significant presence of neutral particles in contrast to the fully ionized plasma. The theoretical analysis is based upon solutions of the kinetic Boltzmann equation, yielding the non-Maxwellian electron energy distribution function (EEDF), thereby emphasizing the difference with a fully ionized plasma. The impact of the effect on discharges in inert and molecular gases is described in detail, yielding the complex nonlinear phenomena resulting in plasma selforganization. A few examples of such phenomena are given, including the non-monotonic EEDFs in the discharge afterglow in a mixture of argon with the molecular gas NF3; the explosive generation of cold electron populations in capacitive discharges, hysteresis of EEDF in inductively coupled plasmas. Recently, highly advanced computer codes were developed in order to address the outstanding challenges in plasma technology. These developments are briefly described in general terms.

non-Maxwellian electron energy distribution functi↗

DOE OSTI2025

Extreme Heating of Minor Ions in Imbalanced Solar-wind Turbulence

Minor ions in the solar corona are heated to extreme temperatures, far in excess of those of the electrons and protons that comprise the bulk of the plasma. These highly nonthermal distributions make minor ions sensitive probes of the collisionless processes that heat the corona and power the solar wind. The recent discovery of the "helicity barrier" offers a mechanism in which imbalanced Alfvénic turbulence in low-β plasmas preferentially heats protons over electrons, generating high-frequency, proton-cyclotron-resonant fluctuations. We use the hybrid-kinetic particle-in-cell code Pegasus++ to drive imbalanced Alfvénic turbulence in a 3D low-β plasma with additional passive ion species, He 2+ and O 5+ . A helicity barrier naturally develops, followed by clear phase-space signatures of oblique proton-cyclotron-wave heating and Landau-resonant heating from the imbalanced Alfvénic fluctuations. The former results in characteristically arced ion velocity distribution functions, whose non-bi-Maxwellian features are shown by linear ALPS calculations to be critical to the heating process. Additional features include a steep transition-range electromagnetic spectrum, proton-cyclotron waves propagating in the direction of the imbalance, significantly enhanced proton-to-electron heating ratios, ion temperatures that are considerably more perpendicular with respect to magnetic field, and extreme heating of heavier species in a manner consistent with mass scalings inferred from spacecraft measurements. None of these features are realized in an otherwise equivalent simulation of balanced turbulence. If seen simultaneously in the fast solar wind, these signatures of the helicity barrier would testify to the necessity of incorporating turbulence imbalance in a complete theory for the evolution of the solar wind.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Summary report on the mechanical testing performed at INL for creep rupture, fatigue, creep-fatigue, and aging of A709 base material

The report provides the status of the creep, fatigue, and creep-fatigue testing to conducted at Idaho National Laboratory to generate a data package to support Alloy 709 qualification in American Society of Mechanical Engineers, Boiler and Pressure Vessel Code, Section III, Division 5. These tests were performed on three commercial heats of plate material. The first procured heat was manufactured by G.O. Carlson with heat number 58776. Second and third heats were fabricated by ATI Specialty Rolled Products, with heat numbers 529900 and 530843, respectively. A series of creep and cyclic specimens were fabricated from these three heats, and tests were performed. This report presents a master list of all completed and ongoing creep, fatigue, and creep fatigue tests. Cyclic properties of three commercial heats are compared. Thermal aging of three commercial heats for 3000 hours were completed in FY 2025. The thermal aging campaign to age plate material from three commercial heats up to 100,000 hours is ongoing.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations

We report on a methodology for performing laser ray-tracing in three spatial dimensions for radiation-hydrodynamics simulation codes. Our method, which is an extension of that developed in Haines et al., Comput. Fluids 201, 104478 (2020), utilizes an automatically generated separate mesh for the laser ray-tracing from the radiation-hydrodynamics mesh. This enables the laser mesh to be tailored to minimize ray noise with significantly fewer rays than would be required when the ray-tracing is performed on the radiation-hydrodynamics mesh, primarily by allowing the use of high-aspect-ratio cells that are not suitable for hydrodynamics solvers. For a planar target, we show that our method provides a ≈ 100× reduction in computational expense to achieve a fixed level of ray noise relative to ray-tracing directly on the radiation-hydrodynamics mesh. The relatively low ray requirement also enables efficient computation of cross-beam energy transfer. Each cell in the logically cubic laser mesh is a non-convex dodecahedron with triangular sides, and numerical integration of the ray trajectories and inverse bremsstrahlung is performed by mapping each cell to the unit cube. We will describe our methodology in detail as well as its implementation in the xRAGE radiation-hydrodynamics code, discuss performance, and present the results from applying the methodology to test problems with analytic solutions for laser ray-tracing through a quadratic density gradient with an analytic solution as well as for a laser-driven heat front. In 3D radiation-hydrodynamics simulations of laser-driven experiments performed on the National Ignition Facility, laser ray-tracing with our methodology uses less than 1% of total computational time while introducing acceptably low levels of ray noise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Modeling betatron radiation using particle-in-cell codes for plasma wakefield accelerator diagnostics

The analysis of plasma wakefield acceleration experimental measurements, particularly in the characterization of photons emitted through the betatron radiation mechanism, requires the development of accurate numerical models. These computational models are crucial for supporting modern instrumentation designed to measure the single-shot, double-differential angular-energy radiation spectra resulting from interactions between beams and plasmas. Motivated by the needs of such applications, this paper presents detailed numerical models of betatron radiation generated in beam-plasma acceleration experiments. These models are based on the integration of the Liénard-Wiechert (LW) potentials, applied to computed particle trajectories. The particle trajectories are generated using three distinct methods: first, by tracking particles through idealized fields in the blowout regime of PWFA; second, by obtaining trajectories using the fast quasistatic particle-in-cell (PIC) code quickpic; and third, obtaining trajectories from the fully self-consistent PIC code osiris. To ensure the accuracy and reliability of these models, the paper includes various benchmark tests using analytical expressions, as well as employing the PIC code epoch, which takes an alternative approach by using a Monte Carlo quantum electrodynamics (QED)-based radiation model. Additionally, the paper presents simulations of the expected experimental betatron radiation spectra, taking into account parameters relevant to PWFA and plasma photocathode experiments at the SLAC FACET-II facility.

Yadav, M. [University of California, Los Angeles, ↗

DOE OSTI2024

Capturing Correlation Effects in Positron Binding to Atoms and Molecules

A major challenge in contemporary electronic structure theory involves the development of methods to describe in a balanced manner the contribution of correlation effects to energy differences. This challenge can be even greater for multicomponent systems containing more than one type of quantum particle. In the present work, we describe a flexible code for carrying out self-consistent field and configuration interaction (CI) calculations on multicomponent systems and use it to generate trial wave functions for use in diffusion Monte Carlo (DMC) calculations of the positron affinity of Be, Be 2 , Be 4 , Mg, CS 2 , and benzene. The resulting positron affinities (PAs) are in good agreement with the best values from the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Resolved Resonance Evaluation for Neutron Interactions with 103 Rh up to 8 keV

A neutron cross-section evaluation for the n + 103 Rh reaction in the resolved resonance region was carried out in the energy range 10−5 eV to 8 keV encompassing thermal energy at 0.0253 eV. The scope of this work is to generate resonance parameters and resonance parameter covariances based on the Reich-Moore reduced R-matrix formalism using the code SAMMY. Some features of the new evaluation are the inclusion of high-resolution capture data in the SAMMY evaluation process and the extension of the resolved resonance range from 4 to 8 keV. Furthermore, the evaluation employs more accurate resonance parameter representation by exploring the use of the LRF = 7 ENDF feature and also the use of the LCOMP = 2 compact format for resonance parameter covariance representation. Included in the SAMMY evaluation are transmission data, capture cross-section data, and neutron scattering length information. Thermal cross-section values listed in the literature, as well as capture resonance integrals, were also incorporated into the evaluation process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Dynamically generated decoherence-free subspaces and subsystems on superconducting qubits

Abstract Decoherence-free subspaces and subsystems (DFS) preserve quantum information by encoding it into symmetry-protected states unaffected by decoherence. An inherent DFS of a given experimental system may not exist; however, through the use of dynamical decoupling (DD), one can induce symmetries that support DFSs. Here, we provide the first experimental demonstration of DD-generated decoherence-free subsystem logical qubits. Utilizing IBM Quantum superconducting processors, we investigate two and three-qubit DFS codes comprising up to six and seven noninteracting logical qubits, respectively. Through a combination of DD and error detection, we show that DFS logical qubits can achieve up to a 23% improvement in state preservation fidelity over physical qubits subject to DD alone. This constitutes a beyond-breakeven fidelity improvement for DFS-encoded qubits. Our results showcase the potential utility of DFS codes as a pathway toward enhanced computational accuracy via logical encoding on quantum processors.

Physics↗

DOE OSTI2025

An Open-source Llm Enhanced-tool Specialized In Helping Moose Related Problems And Tasks

MOOSEenger is an open-source, terminal-first chat application for the MOOSE ecosystem that couples specialized parsing of MOOSE documentation and “.i” input files with retrieval-augmented generation to deliver grounded answers about multiphysics modeling and workflows. It includes dedicated readers for MOOSE-style HTML and a pyhit-based parser that uses the MOOSE syntax tree to preserve block structure and attach retrieval metadata. A data-ingestion pipeline performs semantic chunking into atomic facts and stores them hierarchically in a local Chroma vector database that maintains parent–child relationships across documents; the system can ingest directories, individual files, and single-page web content, and it provides CRUD operations (insert, update, delete) to manage the corpus. At query time, relevant chunks are embedded, retrieved, and fused into the model context, with interactive features such as token streaming, persistent chat history, and dynamic RAG (retrieval triggered by user input or intermediate model output). Deployment is flexible: MOOSEenger runs with local Ollama models or remote Hugging Face/OpenAI backends—typically coordinating generation, lightweight tagging/summarization, and embeddings across three models—and it also supports a server mode and integration with the VS Code Continue interface.

Li, Mengnan [Idaho National Laboratory (INL), Idah↗

DOE OSTI2026

Dataset for Blueprinting Electrified Transit System Implementation

This dataset contains the figures and tabulated results generated from a system-level optimization study of transit fleet electrification planning. The dataset does not include executable modeling code required to reproduce the optimization. The dataset includes results for optimized charging infrastructure deployment by location and power level and service block assignments by fuel type, battery capacity selections, and distributed energy resource sizing. It also contains aggregated financial results, capital expenditures, operating cost summaries, net present cost comparisons across scenarios, and quantified air quality impacts. Results are structured to reflect multiple planning scenarios, including heuristic electrification plans, system-optimized configurations, and sensitivity cases with alternative objective weightings. The modeling was developed using publicly available General Transit Feed Specification data from Omnitrans and standardized modeling assumptions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Dataset for Blueprinting Electrified Transit System Implementation

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

The Viskores User's Guide (V.1.0)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created Viskores: the visualization toolkit for multi-/many-core architectures. Viskores supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. Viskores also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although Viskores provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction.

97 MATHEMATICS AND COMPUTING↗