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3,418 records · Page 36

Frontier Job-Centric Telemetry Dataset

Comprehensive analysis of high-performance computing (HPC) systems requires linking workload execution to system behavior. This kind of analysis is vital for diagnosing performance issues, managing capacity, detecting anomalous workloads, and understanding how applications interact with system hardware. This job-centric telemetry dataset unifies scheduler job records with node-level measurements, enabling direct association between workloads and their corresponding power, thermal, and performance characteristics. It contains sanitized, scheduler related metadata for 152,400 individual jobs that ran on the Frontier supercomputer and ended on selected days throughout 2024 and 2025, a subpopulation of ~6.8% of the total number of allocated jobs with non-zero run time on the system over that same period. Each is linked with files that contain telemetry time series records of the power utilization and temperature behavior of its allocated nodes and their processors during the run time of the job. Where available, a portion of the job files also contain network performance time series. Jobs are sampled from select days that reflect normal levels of user activity and possess job size distributions with large numbers of leadership class jobs (>20% of Frontier nodes). Jobs in this dataset attempt to best represent successful user workflows.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Universal Relationship between Limiting Current and Electrochemical Transport Properties in Malonate-Based Polymer Electrolytes

There is considerable interest in developing high-performance electrolytes for rechargeable lithium batteries. For practical applications, the electrolyte must support large dc currents. However, the parameters most often reported in the literature, conductivity, κ, and current fraction, ρ + , reflect ion transport in the limit of infinitesimal currents. In this limit, the efficacy of an electrolyte is given by the product κρ + . The limiting current density, i lim , is the maximum current density that can be applied across an electrolyte; the cell voltage diverges if the applied current density exceeds ilim. This parameter reflects ion transport in the limit of large dc currents and is therefore of practical interest. It would therefore be convenient if i lim could be predicted from measurements of κρ + . In order to explore this possibility, we studied six malonate-based polymers and PEO at a fixed salt concentration (r = 0.08) and temperature (90°C) using symmetric cells with planar electrodes. Unfortunately, there is no correlation between ilim and κρ + . When the applied current density, i, is less than ilim, the cell voltage approaches a stable plateau, ϕ plateau . Here, we found a linear dependence between i and thickness-normalized plateau potential, ϕ plateau L –1 , irrespective of the magnitude of the applied current. In all seven polymer electrolytes, we found a linear correlation between ilim and the slopes of these lines, σ. In other words, measurements of σ can be used to predict the limiting current.

Jana, Rounak [Lawrence Berkeley National Laborator

Thin Film Synthesis of SrZn2P2 with SrI2 Post-Annealing for Enhanced Crystallinity and Optoelectronic Quality

Ternary Zintl phosphides are promising light-absorbing semiconductors for thin-film optoelectronic applications, but strategies for controlling their microstructure and optoelectronic quality remain underexplored. Here, we report the synthesis of phase-pure SrZn2P2 thin films using radio-frequency co-sputtering in a PH3 + Ar atmosphere and investigate the impact of post-growth processing on their structural and optical properties. Grazing-incidence X-ray scattering and Raman spectroscopy confirm the formation of crystalline SrZn2P2 films over a finite compositional window. Optical measurements reveal clear absorption near the direct-band-gap energy (~1.8 eV) and near-band-edge photoluminescence. Further, we have studied the effects of chemically compatible halide-assisted annealing. It is found that SrI2 treatments lead to pronounced grain growth and reduced diffraction peak broadening while preserving phase purity, in contrast to rapid thermal or forming-gas annealing. Notably, annealing with SrI2 at 450 degrees C significantly enhances both the intensity and spatial uniformity of the photoluminescence, thus connecting the observed microstructural consolidation with improved radiative recombination. Our study demonstrates that halide-assisted annealing provides an effective pathway for microstructural control in SrZn2P2 thin films and highlights a generalizable processing strategy for advancing Zintl phosphide semiconductors toward optoelectronic applications.

14 SOLAR ENERGY

Hierarchical Epoxy Structures via Tunable Polymerization-Induced Phase Separation Combined with Additive Manufacturing

Polymerization-induced phase separation (PIPS) allows for the control of thermoset morphologies and properties, enabling the tuning of domain sizes and thermomechanical response. However, its use in generating substructural features in additively manufactured materials has been limited. In this work, we combine epoxy PIPS with UV curable acrylate and rheological modifiers to print nano- to macro-phase separating materials via a two-step, dual-cure approach. This method enables direct ink write printing of hierarchical structures with both controlled morphologies through phase separation and macroscale architecture through print design. We find that formulations for phase-separating materials require judicious incorporation of additives to enable printability and to provide sufficient green strength. Atomic force microscopy-nano infrared mapping reveals tunable, reticulated nano- to micron-scale domains of the resultant multiphase materials and their morphology changes due to additives, resulting in alterations to thermomechanical and tensile properties. Shape memory behavior is also demonstrated through multimaterial additive manufacturing of epoxies with functionally graded internal morphology using active mixing techniques, highlighting this method’s ability to fabricate complex architectures with controlled morphologies and thermomechanical response.

Van Meter, Kylie E [Organic Materials Science, San

Equation of state for Hf, Ta, W, Re, Os, Ir, Pt, and Au to multi-terapascal pressures from density-functional theory

We present the zero-temperature equation of state (pressure dependence of compression) and phase stability predictions for the 5d-transition metals obtained from all-electron density-functional theory (DFT) calculations. The results compare favorably with experiments but extend beyond current experimental capabilities to 10 TPa. Our study reveals phase changes that are explained from the calculated electronic structure. The cubic face-centered and body-centered structures (fcc and bcc), together with two-, three-, and four-layered hexagonal structures, play major roles under compression. The results’ dependence on the electron exchange and correlation in the DFT approach is investigated, and it is shown that the impact of the choice, while significant at lower pressures, diminishes in the terapascal regime. We further illustrate that the normal parabolic trends in atomic volume and bulk modulus with atomic number, due to the occupation of bonding and anti-bonding 5d states, break down at TPa pressures, suggesting drastically different chemical bonding at these extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Kauhale 'O Kipapa: Kahikinui Community Cultural, Educational, and Resilience Center Preliminary Design Technical Assistance Summary Report

The Kahikinui Homestead Community in Maui faces energy resilience challenges due to its remote, off-grid location. This report summarizes preliminary technical assistance to design a microgrid for six modular homes using solar PV, wind, and battery storage. Findings show hybrid PV and battery systems, supplemented by small wind turbines, offer cost-effective, resilient solutions. This work supports enhanced energy independence and disaster preparedness for the community.

Quiroz, Jimmy Edward [Sandia National Laboratories

Proactive Wildfire Management: A Remote Sensing and Multimodal CNN-MLP Architecture for Ignition Risk Forecasting

As the frequency and intensity of wildfires increase, with fire seasons now starting earlier and ending later than they have over the past decades, current monitoring systems, such as lookout towers and satellites, are hindered by cloud cover, low-resolution imagery, and static data gaps that fail to track vegetation moisture levels fast enough to catch rapid pre-ignition changes. This report proposes a Machine Learning-enabled Wildfire Ignition Prediction framework that combines satellite monitoring with dynamic and high-resolution remote sensing from Unmanned Aerial Vehicle (UAV) swarms. The method would use multispectral and thermal data from the Landsat program to create a baseline for vegetation health, calculating a two-band Enhanced Vegetation Index (EVI2) and the moisture content of the vegetation. These inputs will later be fused with microscale UAV weather data, including thermal hotspots found through thick canopies, hyperspectral chemical signatures of pre-visual combustion, and local weather streams. The multispectral satellite, multispectral Light Detection and Ranging (LiDAR), and thermal data would then be processed through a Convolutional Neural Network (CNN), alongside a Multilayer Perceptron (MLP) for the micro-weather telemetry. The outputs of these networks would be fused into a single feature representation and passed through a final prediction network to generate real-time ignition risk scores and hotspot alerts. Model performance would be assessed using standard classification metrics, including a Receiver Operating Characteristic - Area Under the Curve (ROC AUC) and F1 score. This system would allow first responders to identify high-risk zones and intervene before ignition occurs, improving emergency response time compared to current approaches.

machine learning

Halau Uma: Kahikinui Community Cultural, Educational, and Resilience Center Preliminary Design Technical Assistance Summary Report

The Kahikinui Homestead Community in Maui faces energy resilience challenges due to its remote, off-grid location. This report summarizes preliminary technical assistance to design a microgrid for six modular homes using solar PV, wind, and battery storage. Results indicate that a hybrid PV and battery system, supplemented by small wind turbines, offers a cost-effective, resilient solution supporting energy independence and disaster preparedness.

Quiroz, Jimmy Edward [Sandia National Laboratories

Large Scale Granulator Development Designed to Process Reclaimed Feedstock for Sustainable Additive Manufacturing Applications

This CRADA between UT-Battelle, LLC (Contractor) and re:3D Inc. (Participant) aims to develop an affordable large-scale granulator system designed to process reclaimed plastic feedstock suitable for additive manufacturing applications. The 24-month project will focus on testing, prototyping, and optimizing a shredder/granulator system. This project also focuses on the processing steps (e.g. washing and sorting) that can convert waste plastics, like discarded water bottles, into flake/granules which can be 3D printed using re:3D’s Fused Granular Fabrication (FGF) 3D printers. If successful, this could enable more localized 3D printing using recycled plastics, reducing waste and feedstock costs.

Wang, Peter [Oak Ridge National Laboratory (ORNL),

Stoichiometric effects on grain growth in zirconium carbide coatings for high-temperature nuclear fuel

Interest in coated particle fuel for space nuclear propulsion (SNP) has expanded in recent years due to successful demonstrations of the resiliency of the coatings to extreme environments. For SNP applications, the coating layer for the particle design needs to be able to withstand exposure to high temperature hydrogen during operating conditions. ZrC has been proposed as a protective layer, however, it is important to understand the high temperature behavior to ensure adequate protection to this fuel. In this study, surrogate ZrC coated particles were heat treated at 1900 °C up to 300 min, to examine how the microstructure evolves when exposed to high temperature. Scanning electron microscopy and electron backscatter diffraction (EBSD) were conducted to determine grain size and grain boundary character and orientation to determine the degree of change in the ZrC layer post heat treatment. Raman spectroscopy provided insight to understand how the as-fabricated stoichiometry of each sample contributed to the differences in grain growth behavior. Despite the as-fabricated samples showing a similar initial grain size and grain boundary character, the samples with a higher amount of excess carbon exhibited smaller grain areas and slower growth rates when exposed to 1900 °C. In conclusion, this investigation details the as-fabricated microstructure of the ZrC layer, specifically grain size, evolved under high temperature as this can impact the performance of the fuel under operating conditions.

EBSD

Elucidating the impact of stress states on grain boundary passivation in Ni-5Cr using the Rhines pack method

The oxidation behavior of a Ni–5Cr (at.%) alloy was evaluated at 420 ° C using the Rhines pack method and simultaneous tensile and compressive stress states via a miniature four-point bending fixture. At this moderate temperature, grain boundaries dominate mass transport and the resulting oxidation response. Oxidation produced approximately 1μ⁢m-wide protective Cr 2 O 3 films capping some grain boundaries and penetrative, intergranular Cr-rich oxides at other grain boundaries. Externally applied tensile and compressive stress during oxidation increased the prevalence of Cr 2 O 3 cap formation compared to no applied stress, with tensile stress resulting in more Cr 2 O 3 caps than compressive stress. The observed oxide cap morphology was similar across all test conditions. Regions under compressive stress showed an order of magnitude greater Cr depletion depth along the grain boundary. Chromium nitrides (CrN), likely from N contamination of the Rhines pack cell, were observed both at the oxide–metal interface and intergranularly within the alloy. Collectively these results demonstrate that applied stress promotes localized protective oxide cap formation over grain boundaries, with compressive stress additionally promoting deeper Cr depletion. Furthermore the experimental approach helped separate out the effects of stress on local oxide formation and grain boundary passivation.

4 point bend

Effect of Oxidizing Impurities on the Corrosion Behavior of Structural Alloys Exposed to MgCl 2 Molten Salt Vapor

The corrosion behavior of structural alloys SS304 and IN617 when exposed to vapors of MgCl 2 molten salt at 764 °C for 100 h in an argon atmosphere was investigated as a function of the level of oxidizing impurities (e.g., NaOH) present in the salt. Increasing the concentration of oxidizing impurities in the salt caused an increase in corrosion in both structural alloys, as measured by Cr depletion layers. A poorly adhered oxide scale layer containing Mg, Al, and Cr was observed on the surface of the metals, and local attack was observed as well. The Ni-based IN617 showed lower Cr depletion and less scale formation than the Fe-based SS304. These results demonstrate that oxidizing impurities in the molten salt will impact the vapor phase corrosion for structural members exposed to the molten salt headspace. This finding is highly relevant for understanding the effects of the vapor phase in molten salt applications, including molten salt thermal energy storage, molten salt nuclear reactors, and molten salt electrochemistry.

25 ENERGY STORAGE

Influence of Processing Parameters on the Mechanical Properties of 3D Printed Borosilicate Particulate Reinforced Polymer Composites

Emerging composite materials are expanding the potential of additive manufacturing and enabling applications previously restricted by traditional manufacturing methods. The multi-phase nature of these composite materials combined with the complex in-ternal geometry of additively manufactured parts have enabled unique behavior, and potentially new applications. Additionally, these materials can be pyrolyzed to create dense metal, ceramic, and glass parts with geometries typically not achievable by tra-ditional processes. Additive manufacturing of borosilicate glass-based systems can open new applications in nuclear engineering, astronomy, and bone regrowth therapy. To elucidate the process-parameter relationship of borosilicate-polylactic acid (PLA) composites, mechanical testing was conducted and compared with a pure polylactic acid polymer baseline. Test specimens were fabricated by fused-filament fabrication with minimal post-processing. Yield strength, ultimate strength, and elastic modulus were calculated from stress-strain curves. Optical and scanning electron microscopy were conducted to observe the specimen microstructure before and after testing. The highest compressive yield strength for the composite was 28.22 MPa, and the highest compressive yield strength for PLA was 49.30 MPa. Print orientation was found to benefit the composite material but have a detrimental effect on the pure matrix material. An elastic modulus of 2.66 GPa was recorded for the borosilicate-PLA composite at 100% infill, 1 shell wall, and layer lines parallel to compression axis. Microscopy revealed that lower modulus composite specimens had the particulates re-distributed within the matrix. Tensile testing was done according to a polymer testing standard, which caused difficulties obtaining consistent fracture within the gauge length.

mechanical testing

Characterization of ceramic fuel powder packing fractions to support INFLUX

Triply periodic minimal surface (TPMS)-based structures show marked potential in novel nuclear reactor fuel designs, as their high surface area-to-volume ratio increases the efficiency of heat transfer out of the fuel, enabling safer, more innovative reactor designs. This milestone report addresses the role of dUO 2 powder processing route on the fill behavior of TPMS-based cladding shells to understand and advance the feasibility of manufacturing TPMS-based nuclear fuel forms. dUO 2 powder was processed through either a dry granulation route, varying consolidation pressure, or through milling, varying milling time, milling method and milled size distribution. The lowest tapped bulk densities (TBD), but best powder flowabilities, were obtained when testing unprocessed dUO 2 powder which was prone to self-agglomeration and formed low-density spheroids. The highest TBD and lowest flowabilities were obtained when using powder produced by hammer-milling dUO 2 powder to pass through a 200-mesh sieve, which led to particles with angular morphologies. Powder produced by dry granulation exhibited TBD that varied according to the consolidation pressure used to form the initial pellets and exhibited improved flowabilities when compared to hammer-milled material. Because of the large span of granule sizes formed as well as the irregular shape associated with the granules, a packing fraction of 0.69 was achieved, exceeding the analytical solution for random close packing of mono-sized spheres. TPMS polymer shells were loaded with unprocessed, granulated, and hammer-milled dUO 2 powders, and their qualitative packing behaviors were analyzed using x-ray computed tomography (xCT). TBDs calculated after loading TPMS polymer shells were 10-20% lower when compared to tapped bulk density measurements taken in a glass graduated cylinder, indicating a non-trivial impact on the tapped bulk density of either the TPMS channel size, TPMS channel surface material, powder cohesiveness, or a combination of the two parameters. A metallic zircaloy-4 TPMS shell will be loaded with hammer-milled dUO 2 powder upon receipt of the shell from Oak Ridge National Laboratory (ORNL) and shipped to Idaho National Labs (INL) for subsequent hot isostatic pressing (HIP) densification experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Requirements Description of VARPOW

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s VARPOW code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of VARPOW verification tasks necessary to verify VARPOW for usage on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages.

Ramey, Kyle [Argonne National Laboratory (ANL), Ar

Enhanced matter power spectrum from axion kination after Big Bang nucleosynthesis

Despite stringent constraints from Big Bang Nucleosynthesis (BBN) and cosmic microwave background (CMB) observations, it is still possible for well-motivated particle physics models to substantially alter the cosmic expansion history between BBN and recombination. In this work we consider two different axion models that can realize a period of first matter domination, then kination, in this epoch. We perform fits to both primordial element abundances as well as CMB data and determine that up to a decade of late axion domination is allowed by these probes of the early universe. We establish the implications of late axion domination for the matter power spectrum on the scales 1/Mpc ≲ k ≲ 10 3 /Mpc. Our 'log' model predicts a relatively modest bump-like feature together with a small suppression relative to the standard ΛCDM predictions on either side of the enhancement. Our 'two-field' model predicts a larger, plateau-like feature that realizes enhancements to the matter power spectrum of up to two orders of magnitude. These features have interesting implications for structure formation at the forefront of current detection capabilities.

79 ASTRONOMY AND ASTROPHYSICS

Influence of controlled disorder on the dipolar spin-ice state of Ho-based pyrochlores

Pyrochlore magnets of the form 𝑅 2 ⁢𝐵 2 ⁢O 7 , in which rare-earth ions on the 𝑅 site form a three-dimensional network of corner-sharing tetrahedra, provide a canonical setting for geometrical frustration. Ho-based pyrochlores host a dipolar spin-ice ground state, characterized by Ising moments constrained by the ice rules and elementary excitations analogous to magnetic monopoles. Here, in this work, we examine how controlled chemical disorder influences this state by introducing site mixing on the nonmagnetic 𝐵 site in two compounds. Ho 2⁢ GaSbO 7 contains only Ga 3+ /Sb 5+ charge disorder, whereas Ho 2 ⁢ScSbO 7 exhibits both charge and substantial size disorder arising from the large ionic-radius mismatch between Sc 3+ and Sb 5+ . Although both materials retain the pyrochlore structure, neutron-scattering measurements reveal a reduced correlation length for the 𝑅/𝐵-site cation ordering and enhanced local structural distortions in Ho 2 ⁢ScSbO 7 . Despite these structural differences, bulk thermodynamic measurements and magnetic diffuse scattering demonstrate that both systems exhibit the defining signatures of a dipolar spin-ice state. Low-energy inelastic neutron spectroscopy further uncovers broad magnetic excitations that develop within the dipolar spin-ice regime, a feature absent in pristine Ho pyrochlores and indicative of disorder-induced splitting of the non-Kramers ground-state doublet. Together, these results show that controlled disorder generates tunable transverse-field-driven quantum fluctuations in Ho-based pyrochlores, although the dipolar spin-ice state is remarkably robust to this disorder.

magnetic anisotropy

How efficiently can AI recognize Wireless Devices?

This poster presents a hardware benchmarking methodology for a 3-layer CNN waveform classifier deployed using ONNX Runtime on an NVIDIA Jetson AGX Orin. The dataset consist of 9 signal types, -30 to +30 dB SNR with 5dB increments. Benchmarking on the Jetson AGX Orin gave an accuracy of 91.9% and GPU throughput of 107,120 predictions/sec (23× faster than CPU). The Jetson GPU reached approximately 27M samples/sec with stable performance but fell below the 40 MHz rate needed for real-time radio feeds. Sustained testing of 5 minutes confirmed stable performance with no memory leaks, establishing a reproducible benchmarking baseline for future edge-deployment optimization.

99 - GENERAL AND MISCELLANEOUS