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At least 469 records · Page 26

Quantum Computing Technology Roadmaps and Capability Assessment for Scientific Computing - An analysis of use cases from the NERSC workload

The National Energy Research Scientific Computing Center (NERSC), as the high-performance computing (HPC) facility for the Department of Energy’s Office of Science, recognizes the essential role of quantum computing in its future mission. In this report, we analyze the NERSC workload and identify materials science, quantum chemistry, and high-energy physics as the science domains and application areas that stand to benefit most from quantum computers. These domains jointly make up over 50% of the current NERSC production workload, which is illustrative of the impact quantum computing could have on NERSC’s mission going forward. We perform an extensive literature review and determine the quantum resources required to solve classically intractable problems within these science domains. This review also shows that the quantum resources required have consistently decreased over time due to algorithmic improvements and a deeper understanding of the problems. At the same time, public technology roadmaps from a collection of ten quantum computing companies predict a dramatic increase in capabilities over the next five to ten years. Our analysis reveals a significant overlap emerging in this time frame between the technological capabilities and the algorithmic requirements in these three scientific domains. We anticipate that the execution time of large-scale quantum workflows will become a major performance parameter and propose a simple metric, the Sustained Quantum System Performance (SQSP), to compare system-level performance and throughput for a heterogeneous workload.

97 MATHEMATICS AND COMPUTING↗

Status of Multiple Channel Fuel Performance Capabilities Within the SAS4A/SASSYS-1 Safety Analysis Software

SAS4A/SASSYS-1 (SAS) is a fast-running simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. It is a critical element of safety analysis capabilities for the U.S. Department of Energy and is utilized within industry to perform the transient safety analyses required to support the licensing of Liquid Metal-cooled Fast Reactors (LMFRs). Although SAS is exceptionally fast for most transient scenarios, fuel performance calculations, along with the associated pre-transient characterization of the fuel pin, may be required for transient scenarios where fuel pin failure is hypothesized. Both the pre-transient characterization and the transient fuel performance calculation are necessary to properly quantify margins to potential fuel failure and assess the time spent potentially exceeding such margins during events. While safety analysis calculations with fuel performance models provide a more detailed characterization of the reactor during a transient, the pre-transient characterization can be time-consuming and computationally expensive. Often, large numbers of fuel pins have been exposed to similar pre-transient irradiation conditions. Similarly, the same pre-transient fuel characterization may be applicable to numerous transient conditions. This provides an opportunity to optimize the SAS computational framework such that pre-transient fuel characterization can be shared across multiple channels (fuel pins) and across multiple simulations, thus dramatically reducing overall computational costs. This report summarizes progress toward enhancing the SAS computational framework to support shared, multiple channel fuel performance characterizations intended to significantly reduce computational costs. Preliminary testing has shown that the computational time saved by using the pre-transient sharing capability is approximately equal to the time it takes to perform the pre-transient characterization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

National Laboratories for Environmental Management and Stewardship (NNLEMS) National Lab Capabilities in Unmanned Aerial Systems (UAS) (Revision 1)

The Network of National Laboratories for Environmental Management and Stewardship (NNLEMS) formed an Unoccupied Aircraft Systems (UAS) topical team in spring 2025 for the purpose of documenting the capabilities of the National Laboratories relevant to the goals and needs of the Department of Energy (DOE) Office of Legacy Management (LM). The team was comprised of representatives from eight National Laboratories (Table 1), thereby bringing diverse skillsets from across the DOE complex. Recognizing that LM has extensive experience working with UAS contractors and using data collected from UAS, the topical team focused on the National Laboratories’ unique capabilities and types of scientific investigations that are not yet commercially available or easily contracted as services.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas↗

Editorial: Predicting near-earth space environment: new perspective and capabilities in the AI age

Editorial on the Research Topic Predicting near-earth space environment: new perspective and capabilities in the AI age The near-Earth space environment is not only an operational hazard for space missions, but also a scientific laboratory for advancing our understanding and prediction of space plasma populations. This Research Topic is organized around three interconnected themes: observational datasets, machine-learning (ML) model development, and the discovery of new physical insights through those models. Its primary goal is to highlight the emerging capabilities in space environment prediction that are enabled, or will be enabled, by integrating advanced techniques—including AI/ML methods—with long-term curated datasets.

58 GEOSCIENCES↗

NLR Core Modeling & Decision Support Capabilities: FASTSim, RouteE, T3CO & OpenPATH

This project is part of the program area to develop and improve core capabilities for the Energy-Efficient Mobility Systems (EEMS) program that enable research, development and deployment of advanced mobility solutions and enhance the EEMS Program's ability to address system-level transportation challenges. Advancements to the Future Automotive Systems Technology Simulator (FASTSim), Route Energy Prediction Model (RouteE), Transportation Technology Total Cost of Ownership (T3CO) and Open Platform for Agile Trip Heuristics (OpenPATH) core capabilities under this project supports the overall EEMS Program goals to effectively evaluate energy and mobility impacts of future transportation technologies and services, and to identify the most promising pathways to reduce transportation costs and environmental harms, and to improve mobility access. This presentation was prepared for the 2026 Annual Merit Review of this project.

33 ADVANCED PROPULSION SYSTEMS↗

Mission Capabilities of Ion Engines Using SNAP-8 Power Supplies

Mission performance capabilities of ion engines powered by the 30 kw and 60 kw SNAP-8 power supplies are compared for the following missions: a 24-hr equatorial satellite, a 100 n mi lunar satellite, a 500 n mi Mars satellite, a Mercury probe, and an out-of-the-ecliptic probe. The capabilities of arc- jet engines and chemical engines for the same missions are compared with those of the ion engines. The majority of the comparisons are for 8500-lb spacecraft which are boosted into a 300 n mi orbit by the Atlas-Centaur. Variations in initial orbit altitude, the use of actual launch dates rather than dates based on simplifying assumptions, and the combined use of chemical and electrical propulsion systems were also evaluated in terms of their effect on mission performance.

IONIC PROPULSION↗

Study Program to Determine the Acceleration Environment Capability of the GG159C Gas- Bearing Spinmotor Final Report

The goal of this contract was to determine the g environment under which the GC159C Gas-Bearing Spinmotor (GBSM) could reliably operate. This was fulfilled by building and testing of four GBSM's, a test fixture, and a "dummy" gyro. The test program was divided into two phases when a gas bearing improvement was required to withstand JPL shock requirement of 200 g. Phase I determined existing g capabilities and performance of the GC159C GBSM and gimbal-case structure. Phase II increased GBSM capability to meet required JPL g environments. Life tests were run on two GBSM's which were shocked at a high level to obtain bearing contact while rotating at their operating speed of 23,000 rpm. A third (nonoperating) GBSM was exposed to JPL maximum shock levels, and a fourth (nonoperating) GBSM was exposed to random vibration. Both nonoperating GBSM's were then subjected to life testing.

SPIN↗

Almucantar radio telescope report 1: A preliminary study of the capabilities of large partially steerable paraboloidal antennas

The almucantar radio telescope development and characteristics are presented. The radio telescope consists of a paraboloidal reflector free to rotate in azimuth but limited in altitude between two fixed angles from the zenith. The fixed angles are designed to provide the capability where sources lying between two small circles parallel with the horizon (almucantars) are accessible at any one instant. Basic geometrical considerations in the almucantar design are presented. The capabilities of the almucantar telescope for source counting and for monitoring which are essential to a resolution of the cosmological problem are described.

Usher, P. D.↗

Ultimate wind sensing capabilities of the jimsphere and other rising balloon systems

The error in the magnitude of the horizontal wind field as computed for balloons with linear and quadratic rise rates ascending through a light, moderate, or severe wind field is derived. The rise rate function of the Jimsphere is analyzed as a special case. Figures are presented of wind error versus altitude for each rise rate and wind field, assuming linear smoothing. The ultimate capability of rising balloon systems for measuring wind from the surface to 18 kilometers can be determined from the data and the wind accuracy can be computed by knowing only the rise rate behavior versus altitude. The radii of smooth and roughened spheres needed to achieve the desired rise rate at various altitudes are derived. The radii for smooth and roughened balloons for tow-meter-per-second to 20-meter-per-second rise rates at 10 and 14 km altitudes, and the wind-following capability for each are tabulated.

Luers, J. K.↗

A comparison of the capabilities of three finite element programs

Three finite element programs are compared to assess their capabilities as an analysis tool in a structural design process. Because of the need for repetitive analyses as an integral part of a design loop, a candidate program must be capable of handling large problems, operate efficiently, and be readily adaptable for use in computer-aided design. The three programs considered in the study, ELAS,SNAP, and NASTRAN, range from a relatively small finite element program limited to static structural analysis (ELAS) to a large complex general analysis system (NASTRAN). Results are given for comparative speeds and computer resources required for each program in the analysis of sample fuselage problems representative of practical aircraft design.

Loendorf, D. D.↗

An error analysis of the recovery capability of the relative sea-surface profile over the Puerto Rican trench from multi-station and ship tracking of GEOS-2

Error analyses were performed to examine the height error in a relative sea-surface profile as determined by a combination of land-based multistation C-band radars and optical lasers and one ship-based radar tracking the GEOS 2 satellite. It was shown that two relative profiles can be obtained: one using available south-to-north passes of the satellite and one using available north-to-south type passes. An analysis of multi-station tracking capability determined that only Antigua and Grand Turk radars are required to provide satisfactory orbits for south-to-north type satellite passes, while a combination of Merritt Island, Bermuda, and Wallops radars provide secondary orbits for north-to-south passes. Analysis of ship tracking capabilities shows that high elevation single pass range-only solutions are necessary to give only moderate sensitivity to systematic error effects.

Stanley, H. R.↗

Performance evaluation capabilities for the design of physical systems

The results are presented of a study aimed at developing and formulating a capability for the limiting performance of large steady state systems. The accomplishments reported include: (1) development of a theory of limiting performance of large systems subject to steady state inputs; (2) application and modification of PERFORM, the computational capability for the limiting performance of systems with transient inputs; and (3) demonstration that use of an inherently smooth control force for a limiting performance calculation improves the system identification phase of the design process for physical systems subjected to transient loading.

Pilkey, W. D.↗

Combining human and computer interpretation capabilities to analyze ERTS imagery

The human photointerpreter and the computer have complementary capabilities that are exploited in a computer-based data analysis system developed at the Forestry Remote Sensing Laboratory, University of California. This system is designed to optimize the process of extracting resource information from ERTS images. The human has the ability to quickly delineate gross differences in land classes, such as wildland, urban, and agriculture on appropriate ERTS images, and to further break these gross classes into meaningful subclasses. The computer, however, can more efficiently analyze point-by-point spectral information and localized textural information which can result in a much more detailed agricultural or wildland classification based on species composition and/or plant association. These human and computer capabilities have been integrated through the use of an inexpensive small scale computer dedicated to the interactive preprocessing of the human inputs and the display of raw ERTS images and computer classified images. The small computer is linked to a large scale computer system wherein the bulk of the statistical work and the automatic point-by-point classification is done.

Nichols, J. D.↗

NASTRAN cyclic symmetry capability

A development for NASTRAN which facilitates the analysis of structures made up of identical segments symmetrically arranged with respect to an axis is described. The key operation in the method is the transformation of the degrees of freedom for the structure into uncoupled symmetrical components, thereby greatly reducing the number of equations which are solved simultaneously. A further reduction occurs if each segment has a plane of reflective symmetry. The only required assumption is that the problem be linear. The capability, as developed, will be available in level 16 of NASTRAN for static stress analysis, steady state heat transfer analysis, and vibration analysis. The paper includes a discussion of the theory, a brief description of the data supplied by the user, and the results obtained for two example problems. The first problem concerns the acoustic modes of a long prismatic cavity imbedded in the propellant grain of a solid rocket motor. The second problem involves the deformations of a large space antenna. The latter example is the first application of the NASTRAN Cyclic Symmetry capability to a really large problem.

Macneal, R. H.↗