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Advanced Simulation and Computing: ASC FY24 Implementation Plan

The DOE National Nuclear Security Administration (NNSA) Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, security, and reliability of the U.S. nuclear stockpile. The SSP incorporates nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. The suite of data analyzed comes from activities including previous nuclear tests, stockpile surveillance, experimental research, and development and engineering programs. This integrated national program requires the continued use of experimental facilities and the computational capabilities to support the SSP missions. These component parts, in addition to an appropriately scaled production capability, enable NNSA to support stockpile requirements. The ultimate goal of the SSP, and thus of the Advanced Simulation and Computing (ASC) program, is to ensure that the U.S. maintains a safe, secure, and effective strategic deterrent. The ASC program is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification process, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This work requires a balance of resources, including technical staff, hardware, simulation software, and computer science solutions. The ASC program focuses on increasing the predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The Program continues to improve its unique tools for understanding and solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), and quantifying critical margins and uncertainties. Resolving each issue requires increasingly difficult analyses because the aging process has progressively moved the stockpile further from the original test base. While the focus remains on the U.S. nuclear weapons program, where possible, the Program also enables the use of high-performance computing (HPC) and simulation tools to address broader national security needs, such as foreign nuclear weapon assessments and nuclear counterterrorism. The 2022 Nuclear Posture Review (NPR) calls for NNSA to “deliver a modern, adaptive nuclear security enterprise based on an integrated strategy for risk management, production-based resilience, science and technology innovation, and workforce initiatives.” Furthermore, “NNSA will establish a Science and Technology Innovation Initiative to accelerate the integration of science and technology (S&T) throughout its activities.” Executing this strategy necessitates the continued emphasis on developing and sustaining high-quality scientific and engineering staff, as well as supporting computational and experimental capabilities. These components constitute the foundation of the nuclear weapons program. The continued success of the SSP and LEPs is predicated upon the ability to credibly certify the stockpile, without a return to underground nuclear tests (UGTs). Shortly after the nuclear test moratorium entered into force in 1992, the Accelerated Strategic Computing Initiative (ASCI) was established to provide an extensive simulation capability to underpin stockpile certification. While computing and simulation have always been essential to the success of the nuclear weapons program, the program goal of ASCI was to execute NNSA’s vision of using these tools in support of the stockpile stewardship mission. The ASCI program was essential to the successful demonstration of the SSP, providing critical nuclear weapons simulation and modeling capabilities. ASCI officially evolved into the ASC program in fiscal year (FY) 2005, but the mission remains essentially the same: provide the simulation and computational capabilities that underpin the ability to maintain a safe, secure, effective nuclear weapon stockpile, without returning to underground nuclear testing. The capabilities that the ASC program provides at the national laboratories play a vital role in the nuclear security enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Stockpile Management and Production Modernization programs (formerly Directed Stockpile Work) also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these life extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT.

97 MATHEMATICS AND COMPUTING↗

Development of an accelerator-based neutron source to prototype Mo-99 production, part I: A liquid LBE windowless target

In this article, Molybdenum-99 (Mo-99)’s decay product, technetium-99 (Tc-99 m), is one of the most critical isotopes for medical diagnostics. To provide U.S. domestic supply of Mo-99 without using high-enriched uranium (HEU), a subcritical uranium target assembly (UTA) is irradiated by an accelerator-based neutron source to create Mo-99 through fission. This study discusses the development of the accelerator-based neutron source. The high-energy electrons from the accelerator irradiate a liquid lead-bismuth eutectic (LBE) target to produce neutrons. Part I of this work focuses on numerical and experimental analysis towards the development of a liquid LBE windowless target. Unlike the existing windowless targets in literature, the current design creates a vertical free surface for a beam to irradiate. First, a hydrodynamic analysis of the LBE windowless target is performed. Simplified analytical calculations are assisted by 2D computational fluid dynamics (CFD) simulations to design the target, with the focus on eliminating recirculation zones and avoiding cavitation. With the optimized geometry, the experimental study is performed to investigate the flow hydrodynamics using liquid LBE. The experiments (1) compare pressure drop in the system to correlation predictions; (2) visualize the free surface liquid LBE flow from the beam view; (3) validate the LBE flow profile using temperature sensitive paint from the side view; and (4) validate the liquid LBE film thickness using gamma densitometer measurements. Second, the power handling capability of the designed windowless target is investigated. The divider plate in the current design is susceptible to overheating due to the thin LBE film in front. As LBE erosion and corrosion is likely to occur at an LBE velocity of 2.0 m/s and temperature above 500 °C, a power limit of 10 kW of beam power was established to prevent this corrosion from occurring, which is calculated by a Nusselt number correlation. The divider plate surface temperature at 10 kW agrees well with the 3D CFD simulation results. Part I demonstrates the fundamental physics in liquid LBE windowless target design and associated testing. A companion paper, Part II will demonstrate how to couple this windowless target into the Mo-99 production system, including an accelerator system operating under an ultra-high vacuum and the UTA cooled by water at room temperature.

43 PARTICLE ACCELERATORS↗

Positron acceleration in plasma wakefields

Plasma acceleration has emerged as a promising technology for future particle accelerators, particularly linear colliders. Significant progress has been made in recent decades toward high-efficiency and high-quality acceleration of electrons in plasmas. However, this progress does not generalize to the acceleration of positrons, as plasmas are inherently charge asymmetric. Here, we present a comprehensive review of historical and current efforts to accelerate positrons using plasma wakefields. Proposed schemes that aim to increase energy efficiency and beam quality are summarized and quantitatively compared. A dimensionless metric that scales with the luminosity-per-beam power is introduced, indicating that positron-acceleration schemes are currently below the ultimate requirement for colliders. The primary issue is electron motion; the high mobility of plasma electrons compared to plasma ions, which leads to nonuniform accelerating and focusing fields that degrade the beam quality of the positron bunch, particularly for high efficiency acceleration. Finally, we discuss possible mitigation strategies and directions for future research.

43 PARTICLE ACCELERATORS↗

Overview of the New Beam Physics Research at the IOTA/FAST Facility

The Fermilab Accelerator Science and Technology (FAST) facility is dedicated to the exploration of novel concepts in accelerator and beam physics, and the development of a robust workforce, in order to enable and enhance next-generation particle accelerators. FAST comprises a high-brightness superconducting electron linac, and a storage ring, the Integrable Optics Test Accelerator (IOTA). Experiments in the most recent operational run include studies of nonlinear integrable lattices; tracking of single electrons; precise characterization of undulator radiation; studies with low-momentum-compaction lattices; and ultra-wide range beam diagnostics based on Photomultiplier tubes. In the linac, experiments on noise in intense electron bunches were conducted. The IOTA proton injector, currently being commissioned, will enable a diverse program on space-charge-dominated beams. Research areas include non-invasive beam profile monitoring for proton beams; beam dynamics with electron lenses; halo suppression, feedback systems, and electron cooling. In this presentation, we provide an overview of the recent results and highlight future plans together with opportunities for collaboration.

43 PARTICLE ACCELERATORS↗

AI-Accelerated Strategies and Solutions in Environmental Technology (AI-ASSET)

ALTEMIS Present Day • An integrated network of different sensing technologies designed to monitor a complex and evolving hydrogeochemical system • Key Concept: Use controlling (proxy) variables measured by sensors to predict plume anomalies before they occur • 80% Reduction in wells • $12-20K/year/well saved • Reduced sampling frequency • But how did we get here?

De La Noval, Alejandro J. [Savannah River National↗

Technology evaluation of man-rated acceleration test equipment for vestibular research

The considerations for eliminating acceleration noise cues in horizontal, linear, cyclic-motion sleds intended for both ground and shuttle-flight applications are addressed. the principal concerns are the acceleration transients associated with change in direction-of-motion for the carriage. The study presents a design limit for acceleration cues or transients based upon published measurements for thresholds of human perception to linear cyclic motion. The sources and levels for motion transients are presented based upon measurements obtained from existing sled systems. The approaches to a noise-free system recommends the use of air bearings for the carriage support and moving-coil linear induction motors operating at low frequency as the drive system. Metal belts running on air bearing pulleys provide an alternate approach to the driving system. The appendix presents a discussion of alternate testing techniques intended to provide preliminary type data by means of pendulums, linear motion devices and commercial air bearing tables.

Taback, I.↗

Three Modeling Tools Accelerate the Development of Marine Energy Technologies

Enough power flows through U.S. rivers and oceans to meet up to 60% of the country's electricity needs. But before today's early-stage marine energy technologies can harness some of that power, they need to overcome a few challenges, like a volatile ocean and high development costs. And to do that, technology developers need reliable tools to understand and overcome the challenges they face. That's why researchers at the National Renewable Energy Laboratory (NREL) have developed several open-source, validated, and customizable numerical tools for technology developers. With these tools, the marine energy community can assess their devices' potential power output, predict how their technologies might handle extreme loads (like extreme waves), and learn how changing one component might affect their device's performance. The lab's models generate highly accurate, reliable, robust data that can help marine energy devices leap from the computer screen to the ocean and, eventually, the power grid.

current energy↗

Business models to assure availability of advanced superconductors for the accelerator sector and promote stewardship of superconducting magnet technology for the US economy

Stakeholders representing concerns of national and global leadership, industries that use superconducting magnets in products, manufacturers of superconducting wires and tapes that supply to industries, and innovation generators from small businesses and universities came together to address stewardship of superconducting magnet technology and assurance of supply of advanced superconductors to the accelerator sector. This report outlines potential public-private partnerships that develop and enhance domestic capabilities to meet the needs of science facilities in the accelerator systems sector and in the broader commercial ecosystem.

43 PARTICLE ACCELERATORS↗

From the Lab to your Sewage Plant – Accelerators for Environmental Applications

The history of environmental applications of ionizing irradiation dates back to the 80s and 90s of the last century. Electron beam has proven to be a useful tool for the treatment of industrial waste water and flue gases and is already in use in multiple pilot plants in East Europe and Asia. It also offers a new alternative for tackling rising challenges for the wastewater treatment industry of the future in form of newly discovered harmful contaminants. The talk presents developments that enable a technology transfer of well-established superconducting accelerator technology from science to this field of environmental applications with a focus on water treatment. Recent achievements and future concepts are summarized with an emphasis on the pioneering work done at Jefferson Lab.

Vennekate, Hannes↗

Numerical Analysis of High-Order Modes in SRF Resonators for Particle Accelerators

Over the past decades, superconducting technology has rapidly evolved towards high accelerating gradients and low surface resistance, making it possible to operate particle accelerators with high average beam currents and large duty factors. However, RF losses due to coherent excitation of the HOM become the limiting factor for these regimes. Unlike the cavity operating mode, which is tuned separately, the HOM parameters can significantly vary from one cavity to another due to finite mechanical tolerances during the manufacturing process. Thus, it is of utmost importance to know the HOM parameter spread in advance in order to predict unexpected cryogenic losses, overheating of beam line components and maintain stable beam dynamics. In this paper, we present a method for generating cavity geometry with an arbitrary spread of mechanical imperfections and numerically evaluating HOM statistics. Knowing the spread of HOM parameters, we calculated the probability of resonant HOM losses in SRF accelerating cavities used in CW beam current machines such as the PIP-II and LCLS-II linacs, as well as for the SRF crab-cavity for the ILC project. Finally, we present experimental results of HOM spectra measurements in hundreds of 1.3 GHz cavities installed in LCLS-II cryomodules. Studying the effects of HOM excitation results in specifications of the SRF cavity and cryomodule and can significantly impact the efficiency and reliability of the machine operation.

Lunin, Andrei [Fermilab] (ORCID:0000000290096792)↗

Product Reliability Trends, Derating Considerations and Failure Mechanisms with Scaled CMOS

As microelectronics is scaled into the deep sub-micron regime, space and aerospace users of advanced technology CMOS are reassessing how scaling effects impact long-term product reliability. The effects of electromigration (EM), time-dependent-dielectric-breakdown (TDDB) and hot carrier degradation (HCI and NBTI) wearout mechanisms on scaled technologies and product reliability are investigated, accelerated stress testing across several technology nodes is performed, and FA is conducted to confirm the failure mechanism(s).

CMOS integrated circuits↗

Role of Accelerated Burnup Irradiation Testing in Support of Accelerated Fuel Qualification

Accelerated fuel qualification has gained attention as a means to reduce the time needed to realize new nuclear fuel concepts and expand the operating windows of existing fuel forms. A key component of this approach is accelerated burnup irradiation testing. Although the concept of accelerated burnup has been familiar to the community for many decades, the specifics about how the increasing fission rate may be used as a qualification tool have not yet been elucidated. The present work provides a vision of how accelerated fission rate testing can enable accelerated fuel qualification. Technology readiness levels (TRLs) are reintroduced to demarcate the stages of traditional fuel qualification, and accelerated fuel qualification is presented in this context. The critical steps needed to achieve each TRL are reframed within the context of modern nuclear materials research and development, as revolutionary fuel concepts are more common than previous eras. The practical impacts of accelerated fuel qualification approaches as applied to contemporary fuel qualification efforts are illustrated. Examples are given to illustrate how accelerated burnup irradiations are being used currently and could be applied in the future to support qualification and licensure. Finally, outstanding challenges in the application of accelerated burnup methods to nuclear fuel qualification are summarized, with priority placed on understanding how fission rate impacts diffusion, microstructure evolution, and other critical mechanisms that dictate fuel performance.

Accelerated fuel qualification↗

Life-Cycle and Techno-Economic Assessment of Early-Stage Carbon Capture and Utilization Technologies—A Discussion of Current Challenges and Best Practices

The mitigation of climate change requires research, development, and deployment of new technologies that are not only economically viable but also environmentally benign. Systematic and continuous technology assessment from early technology maturity onwards allows assessment practitioners to identify economic and environmental characteristics. With this information, decision-makers can focus time and resources on the most promising technologies. A broad toolset for technology assessment exists—stretching from the well-established life cycle assessment (LCA) methodology to more loosely defined techno-economic analysis (TEA) methods and the increasingly popular principles of technology maturity assessment such as the concept of technology readiness levels (TRL). However, current technology assessment practice faces various challenges at early stages, resulting in a potential mismatch of study results and stakeholders' needs and an escalation of assessment effort. In this practice review, we outline current challenges in the interplay of LCA, TEA, and TRL and present best practices for assessing early-stage climate change mitigation technologies in the field of carbon capture and utilization (CCU). The findings help practitioners systematically identify the TRL of a technology and adapt technology assessment methodologies accordingly. We highlight the methodological challenges for practitioners when adapting the goal and scope, identifying benchmark technologies, creating a comprehensive inventory, comparing early stage to commercial stage, ensuring clarity of recommendations for decision-making under high uncertainty, and streamlining conventional LCA and TEA assessment approaches and provide actionable recommendations. Overall, this work contributes to identifying promising technologies faster and more systematically, accelerating the development of new technologies for climate change mitigation and beyond.

54 ENVIRONMENTAL SCIENCES↗

Toward digital design at the exascale: An overview of project ICECap

High performance computing has entered the Exascale Age. Capable of performing over 1018 floating point operations per second, exascale computers, such as El Capitan, the National Nuclear Security Administration's first, have the potential to revolutionize the detailed in-depth study of highly complex science and engineering systems. However, in addition to these kind of whole machine “hero” simulations, exascale systems could also enable new paradigms in digital design by making petascale hero runs routine. Currently, untenable problems in complex system design, optimization, model exploration, and scientific discovery could all become possible. Motivated by the challenge of uncovering the next generation of robust high-yield inertial confinement fusion (ICF) designs, project ICECap (Inertial Confinement on El Capitan) attempts to integrate multiple advances in machine learning (ML), scientific workflows, high performance computing, GPU-acceleration, and numerical optimization to prototype such a future. Built on a general framework, ICECap is exploring how these technologies could broadly accelerate scientific discovery on El Capitan. In addition to our requirements, system-level design, and challenges, we describe some of the key technologies in ICECap, including ML replacements for multiphysics packages, tools for human-machine teaming, and algorithms for multifidelity design optimization under uncertainty. As a test of our prototype pre-El Capitan system, we advance the state-of-the art for ICF hohlraum design by demonstrating the optimization of a 17-parameter National Ignition Facility experiment and show that our ML-assisted workflow makes design choices that are consistent with physics intuition, but in an automated, efficient, and mathematically rigorous fashion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Establishing a scientific and technical information program: Planning and resource management

In the last 50 years, technological advances have accelerated at a rate unprecedented in history. We are experiencing a tremendous expansion of scientific and technological effort in many directions, and the result is a fantastic increase in the accumulation of scientific and technical information (STI) and knowledge. An integral part of the research and development (R&D) process is the STI associated with it. STI is both a raw material (input) and a product (output) of this process. The topics addressed include the following: the value of STI, management of an STI program, program policy and guidance, organizational structure, data sources, training/orientation, and the current information environment.

Blados, Walter R.↗

Advanced Space Propulsion

This presentation describes a number of advanced space propulsion technologies with the potential for meeting the need for dramatic reductions in the cost of access to space, and the need for new propulsion capabilities to enable bold new space exploration (and, ultimately, space exploitation) missions of the 21st century. For example, current Earth-to-orbit (e.g., low Earth orbit, LEO) launch costs are extremely high (ca. $10,000/kg); a factor 25 reduction (to ca. $400/kg) will be needed to produce the dramatic increases in space activities in both the civilian and government sectors identified in the Commercial Space Transportation Study (CSTS). Similarly, in the area of space exploration, all of the relatively 'easy' missions (e.g., robotic flybys, inner solar system orbiters and landers; and piloted short-duration Lunar missions) have been done. Ambitious missions of the next century (e.g., robotic outer-planet orbiters/probes, landers, rovers, sample returns; and piloted long-duration Lunar and Mars missions) will require major improvements in propulsion capability. In some cases, advanced propulsion can enable a mission by making it faster or more affordable, and in some cases, by directly enabling the mission (e.g., interstellar missions). As a general rule, advanced propulsion systems are attractive because of their low operating costs (e.g., higher specific impulse, ISD) and typically show the most benefit for relatively 'big' missions (i.e., missions with large payloads or AV, or a large overall mission model). In part, this is due to the intrinsic size of the advanced systems as compared to state-of-the-art (SOTA) chemical propulsion systems. Also, advanced systems often have a large 'infrastructure' cost, either in the form of initial R&D costs or in facilities hardware costs (e.g., laser or microwave transmission ground stations for beamed energy propulsion). These costs must then be amortized over a large mission to be cost-competitive with a SOTA system with a low initial development and infrastructure cost and a high operating cost. Note however that this has resulted in a 'Catch 22' standoff between the need for large initial investment that is amortized over many launches to reduce costs, and the limited number of launches possible at today's launch costs. Some examples of missions enabled (either in cost or capability) by advanced propulsion include long-life station-keeping or micro-spacecraft applications using electric propulsion or BMDO-derived micro-thrusters, low-cost orbit raising (LEO to GEO or Lunar orbit) using electric propulsion, robotic planetary missions using aerobraking or electric propulsion, piloted Mars missions using aerobraking and/or propellant production from Martian resources, very fast (100-day round-trip) piloted Mars missions using fission or fusion propulsion, and, finally, interstellar missions using fusion, antimatter, or beamed energy. The NASA Advanced Propulsion Technology program at the Jet Propulsion Laboratory (JPL) is aimed at assessing the feasibility of a range of near-term to far term advanced propulsion technologies that have the potential to reduce costs and/or enable future space activities. The program includes cooperative modeling and research activities between JPL and various universities and industry; and directly supported independent research at universities and industry. The cooperative program consists of mission studies, research and development of ion engine technology using C60 (Buckminsterfullerene) propellant, and research and development of lithium-propellant Lorentz-force accelerator (LFA) engine technology. The university/industry-supported research includes modeling and proof-of-concept experiments in advanced, high-lsp, long-life electric propulsion, and in fusion propulsion.

Frisbee, Robert H.↗