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DOE OSTI2026

DUNE Rucio Server Scalabiilty Studies

The DUNE collaboration has an ongoing production effort to simulate the full detectors and to analyze the various prototypes that are currently running. Rucio is used to manage the 40PB of files made to date. When 500 or more jobs were sending output to Rucio simultaneously via Rucio upload, we observed timeouts, unhandled exceptions, and Rucio server restarts due to slow performance. In collaboration with the core Rucio team we did a full review of the Rucio upload code and identified several optimizations that can be made. We also have deployed the Ingress load balancer in front of our Rucio servers and added a database connection pooling utility. These changes led to significant improvement both in reliability and scalability, yet we anticipate even better performance will eventually be required. We describe in this paper the initial state of the system, the various debugging processes that were used, and our plans to further improve scalability.

Calcutt, J. [Brookhaven Natl. Lab.]↗

NASA NTRS2016

James Webb Space Telescope Core 2 Test - Cryogenic Thermal Balance Test of the Observatorys Core Area Thermal Control Hardware

The James Webb Space Telescope (JWST), successor to the Hubble Space Telescope, will be the largest astronomical telescope ever sent into space. To observe the very first light of the early universe, JWST requires a large deployed 6.5-meter primary mirror cryogenically cooled to less than 50 Kelvin. Three scientific instruments are further cooled via a large radiator system to less than 40 Kelvin. A fourth scientific instrument is cooled to less than 7 Kelvin using a combination pulse-tube Joule-Thomson mechanical cooler. Passive cryogenic cooling enables the large scale of the telescope which must be highly folded for launch on an Ariane 5 launch vehicle and deployed once on orbit during its journey to the second Earth-Sun Lagrange point. Passive cooling of the observatory is enabled by the deployment of a large tennis court sized five layer Sunshield combined with the use of a network of high efficiency radiators. A high purity aluminum heat strap system connects the three instrument's detector systems to the radiator systems to dissipate less than a single watt of parasitic and instrument dissipated heat. JWST's large scale features, while enabling passive cooling, also prevent the typical flight configuration fully-deployed thermal balance test that is the keystone of most space missions' thermal verification plans. This paper describes the JWST Core 2 Test, which is a cryogenic thermal balance test of a full size, high fidelity engineering model of the Observatory's 'Core' area thermal control hardware. The 'Core' area is the key mechanical and cryogenic interface area between all Observatory elements. The 'Core' area thermal control hardware allows for temperature transition of 300K to approximately 50 K by attenuating heat from the room temperature IEC (instrument electronics) and the Spacecraft Bus. Since the flight hardware is not available for test, the Core 2 test uses high fidelity and flight-like reproductions.

JWST Thermal Core 2 Test↗

DOE OSTI2022

Development of a three-dimensional APOLLO3 neutrons deterministic scheme for the CABRI reactor

CABRI is an experimental reactor to study the fuel behavior during reactivity injection transients. These transients being highly multiphysics, the development of suitable modeling and simulation tools to simulate them is important for the optimization of the tests and the control of the experimental conditions. This paper focuses on the development of an APOLLO3 deterministic core calculation tool dedicated to the CABRI transient analysis. It represents the first stage of the incremental process for the implementation of a multiphysics time-dependent modeling of the CABRI transient. The neutron calculation scheme is based on a classical two-step approach. The first step consists of a 281-energy group calculation flux with the TDT-MOC (Method Of Characteristics) solver for cross-section space and energy (23 groups) collapsing for the CABRI different assembly clusters. The bias on a 2D core neutron calculation due to the self-shielding calculation and collapsing on a restricted pattern are investigated thanks to a comparison with a direct full 2D calculation on a quarter of core. The second step relies on a pin-resolved transport 3D transport core calculation with the SN solver MINARET. A progressive numerical validation process is followed to quantify the calculation biases on reactivity and reaction rates at each step using reference calculations with the stochastic code TRIPOLI4. The next development stage toward a multiphysics scheme will be the implementation of the 3D-kinetics equation resolution and the coupling with a core thermal-hydraulics model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX

Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

HFIR LEU High Density Silicide Dispersion Optimized Design Steady-State Heat Transfer Analyses

Steady-state heat transfer simulations of the Oak Ridge National Laboratory High Flux Isotope Reactor (HFIR) with the low-enriched uranium (LEU) high-density silicide dispersion Optimized fuel design were performed to support comprehensive performance and safety metric studies concerning this design. The LEU Optimized design operates at 95 MW to maintain HFIR’s current highly enriched uranium (HEU) core performance level at 85 MW. Full cycle Mode 1 full flow Case 1 (inlet temperature), Case 2 (flux-to-flow), and Case 3 (inlet pressure) safety limit analyses were performed to assess the margins to critical heat flux. Under the prescribed conditions, this LEU design meets the safety limit and limiting control setting requirements outlined in HFIR’s documented safety analysis; however, the safety margins are less than those for the 85 MW HEU core, and several assumptions were made where fuel fabrication and qualification data are currently lacking for the silicide fuel design. Effects of changes to pertinent fuel fabrication assumptions and uncertainty factors on thermal safety margins were also evaluated, showing that the margins are sensitive to many of these parameters. Power and pressure perturbations were also performed, indicating that significant steady-state thermal margins could be gained by increasing the coolant inlet pressure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Circular dichroism in hard X-ray photoelectron diffraction observed by time-of-flight momentum microscopy

X-ray photoelectron diffraction (XPD) is a powerful technique that yields detailed structural information of solids and thin films that complements electronic structure measurements. Among the strongholds of XPD we can identify dopant sites, track structural phase transitions, and perform holographic reconstruction. High-resolution imaging of k ll -distributions (momentum microscopy) presents a new approach to core-level photoemission. It yields full-field k x -k y XPD patterns with unprecedented acquisition speed and richness in details. Here, we show that beyond the pure diffraction information, XPD patterns exhibit pronounced circular dichroism in the angular distribution (CDAD) with asymmetries up to 80%, alongside with rapid variations on a small k ll -scale (0.1 Å -1 ). Measurements with circularly-polarized hard X-rays (hν = 6 keV) for a number of core levels, including Si, Ge, Mo and W, prove that core-level CDAD is a general phenomenon that is independent of atomic number. The fine structure in CDAD is more pronounced compared to the corresponding intensity patterns. Additionally, they obey the same symmetry rules as found for atomic and molecular species, and valence bands. Further, the CD is antisymmetric with respect to the mirror planes of the crystal, whose signatures are sharp zero lines. Calculations using both the Bloch-wave approach and one-step photoemission reveal the origin of the fine structure that represents the signature of Kikuchi diffraction. To disentangle the roles of photoexcitation and diffraction, XPD has been implemented into the Munich SPRKKR package to unify the one-step model of photoemission and multiple scattering theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

MTA Removable Beam Absorber

Once commissioned, the secondary production beamline in the MeV Test Area (MTA) will require a removable beam absorber for continuous beam operation. A 4"x 4" x 4" copper core encased within steel will absorb the full 15 Hz 400 MeV Fermilab Linac primary proton beam. However the residual activation will constrain work activities in the hall, so a 6” marble casing is proposed entombing the core. Marble has minimal residual activation. This presentation describes the initial concept and planned ANSYS analysis.

Blas, Efren↗

DOE OSTI2023

KinCat v.1.0

SAND2024-02099O The software is designed to allow researchers to perform kinetic Monte Carlo (KMC) simulations of catalytic reactions on a 2D lattice. The code is written efficiently to run on a variety of shared memory computing architectures (e.g. GPU, multi-core) and to natively express the full complexity of lateral interactions on reaction rates. The software allows researchers to perform KMC simulations of catalytic reactions on a 2D lattice. It uses parallel shared-memory computing architectures to reduce run-times and allows for simultaneous simulation of multiple independent runs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Najm, Habib↗

NASA NTRS1992

Science in action: An interdisciplinary science education program

Science in Action is an education outreach program for pre-collegiate students. It is based on the concept that, in order to interest students in science, they must see science and scientists at work. The program encompasses the full range of scientific disciplines - the core sciences, engineering, and mathematics. A unique aspect of the program is the involvement and support of scientists and engineers representing local professional societies, industries, business, and academic institutions. An outline of the program is given.

Horton, Linda L.↗

NASA NTRS2001

Warm-Core Intensification Through Horizontal Eddy Heat Transports into the Eye

A simulation of Hurricane Bob (1991) using the PSU/NCAR MM5 mesoscale model with a finest mesh spacing of 1.3 km is used to diagnose the heat budget of the hurricane. Heat budget terms, including latent and radiative heating, boundary layer forcing, and advection terms were output directly from the model for a 6-h period with 2-min frequency. Previous studies of warm core formation have emphasized the warming associated with gentle subsidence within the eye. The simulation of Hurricane Bob confirms subsidence warming as a major factor for eye warming, but also shows a significant contribution from horizontal advective terms. When averaged over the area of the eye, subsidence is found to strongly warm the mid-troposphere (2-9 km) while horizontal advection warms the mid to upper troposphere (5-13 km) with about equal magnitude. Partitioning of the horizontal advective terms into azimuthal mean and eddy components shows that the mean radial circulation does not, as expected, generally contribute to this warming, but that it is produced almost entirely by the horizontal eddy transport of heat into the eye. A further breakdown of the eddy components into azimuthal wave numbers 1, 2, and higher indicates that the warming is dominated by wave number 1 asymmetries, with smaller coming from higher wave numbers. Warming by horizontal eddy transport is consistent with idealized modeling of vortex Rossby waves and work is in progress to identify and clarify the role of vortex Rossby waves in warm-core intensification in both the full-physics model and idealized models.

Braun, Scott A.↗

NASA NTRS2001

Warm-Core Intensification of a Hurricane Through Horizontal Eddy Heat Transports Inside the Eye

A simulation of Hurricane Bob (1991) using the PSU/NCAR MM5 mesoscale model with a finest mesh spacing of 1.3 km is used to diagnose the heat budget of the hurricane. Heat budget terms, including latent and radiative heating, boundary layer forcing, and advection terms were output directly from the model for a 6-h period with 2-min frequency. Previous studies of warm core formation have emphasized the warming associated with gentle subsidence within the eye. The simulation of Hurricane Bob also identifies subsidence warming as a major factor for eye warming, but also shows a significant contribution from horizontal advective terms. When averaged over the area of the eye, excluding the eyewall (at least in an azimuthal mean sense), subsidence is found to strongly warm the mid-troposphere (2-9 km) while horizontal advection warms the mid to upper troposphere (5-13 km) with about equal magnitude. Partitioning of the horizontal advective terms into azimuthal mean and eddy components shows that the mean radial circulation cannot, as expected, generally contribute to this warming, but that it is produced almost entirely by the horizontal eddy transport of heat into the eye. A further breakdown of the eddy components into azimuthal wave numbers 1, 2, and higher indicates that the warming is dominated by wave number 1 asymmetries, with smaller contributions coming from higher wave numbers. Warming by horizontal eddy transport is consistent with idealized modeling of vortex Rossby waves and work is in progress to identify and clarify the role of vortex Rossby waves in warm-core intensification in both the full-physics model and idealized models.

Braun, Scott A.↗

DOE OSTI2024

Qualifying the Instrument Thimble 11 Test Position in the Advanced Test Reactor Critical

The Advanced Test Reactor (ATR) is a versatile nuclear research reactor located at the Idaho National Laboratory (INL) in Eastern Idaho, United States of America. It is one of the most powerful and flexible research reactors in the world and is primarily used for materials testing, isotope production and basic nuclear science research. The ATR is a light-water-cooled, beryllium-moderated reactor with a nominal thermal power capacity of 250 MW utilizing specially designed fuel, arranged in a serpentine pattern to create 9 flux traps. The special design of ATR allows for the neutron flux within each of the flux traps providing flexibility for experiments, programs and allowing experiments with different dose requirements to be irradiated simultaneously. The Advance Test Reactor Critical (ATRC) is a full-scale replica of the ATR core but is housed in a pool instead of a pressure vessel. ATRC is usually operated at less than 600 watts [1]. There are 12 dry instrument thimbles located around the outside of the core tank where a variety of measurement equipment is housed to facilitate reactor operations. Currently Instrument Thimble 11 (IT-11) is not utilized in ATR or ATRC. A range of measurements is ongoing to qualify IT-11 as a test platform for nuclear instrumentation research, development and further experimentation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Initial Findings in Qualifying the Instrument Thimble 11 Position in the Advanced Test Reactor Critical

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2026

Feedforward-feedback ammonia control at a water resource recovery facility based on a digital twin with hybrid model

Ammonia-based aeration control (ABAC) at full-scale Water Resource Recovery Facilities (WRRFs) can be challenged by diurnal loading and transport delays. This work addressed these challenges using a hybrid feedforward–feedback controller built on Activated Sludge Model 1 (ASM1), marking the first full-scale deployment to pair a mechanistic feedforward core with data-driven corrections. The objectives were to improve ammonia setpoint tracking, assess performance of the mechanistic model when enhanced with data-driven corrections, and document full-scale operation. The hybrid model incorporates two data-driven components: (1) a Mechanistic Error Forecasting Engine (MEFE), consisting of a multivariate linear regressor and a long short-term memory (LSTM) ensemble. Defying expectations, low-parameter models outperformed more complex alternatives, reducing the mechanistic error by 71%. (2) A Residual Oscillation Forecasting Engine (ROFE), based on Fast Fourier Transform, reduced the remaining error by another 35%. Two proportional–integral (PI) feedback loops further (i) trim the feedforward output and (ii) eliminate residual controller error in the final aerobic zone. In full-scale operation, the controller reduced mean-squared error (MSE) by 94% over the baseline and produced more stable dissolved oxygen (DO) setpoints. Overall, it was proven that layering multi-timescale data-driven models on a mechanistic core can yield reliable ABAC performance at WRRFs.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2011

Compression Behavior of Fluted-Core Composite Panels

In recent years, fiber-reinforced composites have become more accepted for aerospace applications. Specifically, during NASA s recent efforts to develop new launch vehicles, composite materials were considered and baselined for a number of structures. Because of mass and stiffness requirements, sandwich composites are often selected for many applications. However, there are a number of manufacturing and in-service concerns associated with traditional honeycomb-core sandwich composites that in certain instances may be alleviated through the use of other core materials or construction methods. Fluted-core, which consists of integral angled web members with structural radius fillers spaced between laminate face sheets, is one such construction alternative and is considered herein. Two different fluted-core designs were considered: a subscale design and a full-scale design sized for a heavy-lift-launch-vehicle interstage. In particular, axial compression of fluted-core composites was evaluated with experiments and finite-element analyses (FEA); axial compression is the primary loading condition in dry launch-vehicle barrel sections. Detailed finite-element models were developed to represent all components of the fluted-core construction, and geometrically nonlinear analyses were conducted to predict both buckling and material failures. Good agreement was obtained between test data and analyses, for both local buckling and ultimate material failure. Though the local buckling events are not catastrophic, the resulting deformations contribute to material failures. Consequently, an important observation is that the material failure loads and modes would not be captured by either linear analyses or nonlinear smeared-shell analyses. Compression-after-impact (CAI) performance of fluted core composites was also investigated by experimentally testing samples impacted with 6 ft.-lb. impact energies. It was found that such impacts reduced the ultimate load carrying capability by approximately 40% on the subscale test articles and by less than 20% on the full-scale test articles. Nondestructive inspection of the damage zones indicated that the detectable damage was limited to no more than one flute on either side of any given impact. More study is needed, but this may indicate that an inherent damage-arrest capability of fluted core could provide benefits over traditional sandwich designs in certain weight-critical applications.

Schultz, Marc R.↗

DOE OSTI2025

Propagation of ion cyclotron emission in the DIII-D tokamak

Experiments in L- and H-mode plasmas performed on the DIII-D tokamak explored ion cyclotron emission (ICE) propagation via the recently upgraded ICE diagnostic. The distance between the plasma and the outer wall was scanned to alter the evanescent region, which was seen to impact the detection of runaway electron-driven whistler modes in a comparable frequency range to typical ICE harmonics (f≳10fci) [Heidbrink et al., Plasma Phys. Controlled Fusion 61, 014007 (2018)]. In L-mode plasmas, core ICE did not exhibit clear trends as the plasma-wall distance was altered. Instead, inadvertent changes to the fast ion density correlated with different ICE fine structures; the most spectral bands (spaced ∼150–200 kHz apart) were observed at the highest fast ion density, and a just single band when nfast decreased by ∼ 40%. The full-wave Petra-M code simulated core ICE propagation through the plasma and to ICE probes, agreeing with experimental findings that these are likely compressional fast waves, which propagate to probe locations with no dependence on plasma-wall gap. Edge ICE in H-mode plasmas was similarly unaffected by plasma-wall distance. Unlike in core ICE cases, there were negligible changes to the edge fast ion distribution and edge bulk plasma profiles. However, changes in ELM frequency seemed most closely tied to ICE behavior. Ultimately, core and edge ICE did not exhibit clear dependencies on the plasma-wall distance, and ICE harmonics were observed with even the largest plasma-wall gaps. This independence bodes well for similar diagnostics in future tokamaks, which might be placed further from high radiation areas without adversely impacting measurement capabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Growth of metal nanoparticles in hydrocarbon atmosphere of arc discharge

A direct current (DC) arc discharge is a widely used method for large-scale production of metal nanoparticles, core–shell particles, and carbon nanotubes. Here, the growth of iron nanoparticles is explored in a modified DC arc discharge. Iron particles are produced by the evaporation of an anode, made from low-carbon steel. Methane admixture into argon gas serves as a carbon source. Electron microscopy and elemental analysis suggest that methane and/or products of its decomposition adhere to iron clusters forming a carbon shell, which inhibits iron particle growth until its full encapsulation, at which point the iron core growth is ceased. Experimental observations are explained using an aerosol growth model. The results demonstrate the path to manipulate metal particle size in a hydrocarbon arc environment.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS2018

Experimentation to Understand Planet and Proto-Planet Formation

Experimental petrology has placed constraints on a wide variety of nebular and planet formation processes such as chondrule formation, CAI (Calcium-Aluminum-rich Inclusions) crystallization, asteroid magmatism, mantle melting, core formation, element partitioning related to radiogenic isotopes and heat production. Although great progress has been made, there remain several key problems where more data are required to constrain modelling, both empirical and thermodynamics-based. Here I will focus on several areas with implications for meteoritics and planetary science, including systems of low fO2 (Oxygen fugacity), constructing models that include both metal and silicate for mantle melting and differentiation, high pressure phase equilibria relevant to full range of silicate mantles, and core-mantle equilibria where H and O are specified, and their effects are measured.

Righter, K.↗