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At least 397 records · Page 22

Convergence of sum-up rounding schemes for cloaking problems governed by the Helmholtz equation

In this work, we consider the problem of designing a cloak for waves described by the Helmholtz equation from an integer programming point of view. The problem can be modeled as a PDE-constrained optimization problem with integer-valued control inputs that are distributed in the computational domain. A first-discretize-then-optimize approach results in a large-scale mixed-integer nonlinear program that is in general intractable because of the large number of integer variables that arise from the discretization of the domain. Instead, we propose an efficient algorithm that is able to approximate the local infima of the underlying nonconvex infinite-dimensional problem arbitrarily close without the need to solve the discretized finite-dimensional integer programs to optimality. We optimize only the continuous relaxations of the approximations for local minima and then apply the sum-up rounding methodology to obtain integer-valued controls. If the solutions of the discretized continuous relaxations converge to a local minimizer of the continuous relaxation, then the resulting discrete-valued control sequence converges weakly \(^*\) in \(L^\infty\) to the same local minimizer. These approximation properties follow under suitable refinements of the involved discretization grids. Our results use familiar concepts arising from the analytical properties of the underlying PDE and complement previous results, derived from a topology optimization point of view.

97 MATHEMATICS AND COMPUTING↗

Zonal-Based Emission Source Term Model for Predicting Particulate Emission Factors in Wildfire Simulations

A physics/chemistry-based numerical model for predicting the emission of fine particles from wildfires is proposed. This model implements the fundamental mechanisms of soot formation in a combustion environment: soot nucleation, surface growth, agglomeration, oxidation, and particle fragmentation. These mechanisms occur on a scale too fine for the discretization of most wildfire models, which need to simulate landscape-scale dynamics. As a result this model implements a zonal approach, where the computed soot particle distribution is partitioned into process zones within a single resolved grid cell. These process zones include: an inception zone (for nucleation), a heating zone (for coagulation, surface growth, and fragmentation), a reaction zone (for oxidation), and a quenched zone (for atmospheric processes). Governing mechanisms are applied to the appropriate zones to predict total particle growth and emission. Additionally, the proposed model is implemented into HIGRAD/FIRETEC, a physics-based wildfire simulation code which couples interactions between fire, fuels, atmosphere, and topography on a landscape scale. Fire simulations among grasslands and conifer forests are performed and compared against experimental data for emission factors.

54 ENVIRONMENTAL SCIENCES↗

High-Energy X-ray Tomographic Analysis of Precursor Metal Powders (Ti-6Al-4V) Used for Additive Manufacturing

We utilized high-energy x-ray tomography to characterize Ti-6Al-4V metal powders (both as-received and recycled) used in powder-bed additive manufacturing process. The image processing workflow was developed to process and analyze large amount of data objectively by computer program. The distribution of size and shape of the metal particles as well as defect (mainly porosity) inside the particles was analyzed with the statistical representation and resolution in micrometer. The result revealed that circular-shaped porosity with various sizes could be embedded in the powder particles. These porosities could potentially be transferred to the 3D printed part and critically affect the mechanical performance of the component. The present study shows the effectiveness of characterizing metal powders using x-ray imaging techniques where sufficient number of particles can be sampled within tens of minutes with a minimum sample preparation and high accuracy. Clear structural differences in the as-received and recycled powders were delineated that helps in determining the feasibility of using the recycled powders.

36 MATERIALS SCIENCE↗

Multi-GPU porting of a phase-change cascaded lattice Boltzmann method for three-dimensional pool boiling simulations

The Lattice Boltzmann method (LBM) has proven effective in simulating phase-change phenomena, such as melting, solidification, evaporation, and boiling. In this work, we develop a highly parallelized multi-GPU implementation of LBM for three-dimensional pool boiling simulations. The code is based on the OpenACC programming model, which enables the code to be deployed efficiently on multi-core CPUs, GPUs, and potentially other accelerators, without the need for architecture-specific rewrites. To support large-scale simulations, the domain is decomposed and distributed across multiple compute nodes using MPI. We demonstrate that the code exhibits excellent scaling properties, with ideal strong-scaling running with up to 256 GPUs on the MareNostrum5 cluster.

97 MATHEMATICS AND COMPUTING↗

Rapid Atomic Ordering Transformation toward Intermetallic Nanoparticles

Chemically ordered intermetallic nanoparticles are promising candidates for energy-related applications such as electrocatalysis. However, the synthesis of intermetallics generally requires long annealing (several hours) to achieve the ordered structure, which causes nanoparticles agglomeration and diminished performance, particularly for catalysis. Herein, we demonstrate a new rapid Joule heating approach that can synthesize highly ordered and well-dispersed intermetallic nanoparticles. As a proof-of-concept, we synthesized fully ordered Pd 3 Pb intermetallic nanoparticles that feature small size distribution (~6 nm). Computational analysis of the L1 2 Pd 3 Pb material suggests that this rapid atomic ordering transformation can be attributed to a vacancy-mediated diffusion mechanism. Moreover, the nanoparticles demonstrate excellent electrocatalytic activity and exceptional stability for the oxygen reduction reaction (ORR), retaining >95% of the current density over 10 h of chronoamperometry test with negligible structural and compositional changes. Furthermore, this study demonstrates a new strategy of providing a new direction for intermetallic synthesis and catalyst discovery.

25 ENERGY STORAGE↗

Thermal Experiments for Fractured Rock Characterization: Theoretical Analysis and Inverse Modeling

Abstract Field‐scale properties of fractured rocks play a crucial role in many subsurface applications, yet methodologies for identification of the statistical parameters of a discrete fracture network (DFN) are scarce. We present an inversion technique to infer two such parameters, fracture density and fractal dimension, from cross‐borehole thermal experiments data. It is based on a particle‐based heat‐transfer model, whose evaluation is accelerated with a deep neural network (DNN) surrogate that is integrated into a grid search. The DNN is trained on a small number of the heat‐transfer model runs and predicts the cumulative density function of the thermal field. The latter is used to compute fine posterior distributions of the (to be estimated) parameters. Our synthetic experiments reveal that fracture density is well constrained by data, while fractal dimension is harder to determine. Adding nonuniform prior information related to the DFN connectivity improves the inference of this parameter.

Zhou, Zitong↗

Chaotic neural dynamics facilitate probabilistic computations through sampling

Cortical neurons exhibit highly variable responses over trials and time. Theoretical works posit that this variability arises potentially from chaotic network dynamics of recurrently connected neurons. Here, we demonstrate that chaotic neural dynamics, formed through synaptic learning, allow networks to perform sensory cue integration in a sampling-based implementation. We show that the emergent chaotic dynamics provide neural substrates for generating samples not only of a static variable but also of a dynamical trajectory, where generic recurrent networks acquire these abilities with a biologically plausible learning rule through trial and error. Furthermore, the networks generalize their experience in the stimulus-evoked samples to the inference without partial or all sensory information, which suggests a computational role of spontaneous activity as a representation of the priors as well as a tractable biological computation for marginal distributions. These findings suggest that chaotic neural dynamics may serve for the brain function as a Bayesian generative model.

60 APPLIED LIFE SCIENCES↗

High-Fidelity Multiphysics Modeling of a Heat Pipe Microreactor Using BlueCrab

Researchers who are actively developing nuclear microreactors are planning to employ innovative designs and features using traditional commercial modeling tools that may be inadequate for their design and licensing activities. The codes developed under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program provide flexibility in terms of geometry modeling and multiphysics coupling and are particularly well suited for modeling novel microreactor concepts. To test the maturity of these codes, this paper introduces a conceptual heat pipe microreactor (HP-MR) designed to gather various technologies of interest to microreactor developers such as control drums, heat pipes, and hydride moderators. Here, the objective of this effort is to demonstrate NEAMS tools capability to perform high-fidelity multiphysics simulations, using coupled neutronics (via the Griffin code), heat conduction (via the BISON code), heat pipe modeling (via the Sockeye code), and hydrogen redistribution in hydride metal moderator (via the SWIFT code). Codes are coupled in-memory through the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which permits flexible multiphysics data transfer schemes. The analysis confirmed two key aspects of the HP-MR concept: (1) its ability to follow the power load requested from the heat pipe and (2) its ability to avoid heat pipe cascading failure unless designed with high power close to operating failure limits of its heat pipes. The developed computational model was distributed publicly on the Virtual Test Bed for training purposes to accelerate adoption by industry and to provide a high-fidelity multiphysics solution for benchmarking against other tools. Additional multiphysics analyses including other transients and coupled physics were identified as necessary future work, together with a focus on validating multiphysics behavior against experiments.

Microreactor↗

Physics-inspired spatiotemporal-graph AI ensemble for the detection of higher order wave mode signals of spinning binary black hole mergers

We present a new class of AI models for the detection of quasi-circular, spinning, non-precessing binary black hole mergers whose waveforms include the higher order gravitational wave modes ($\ell$, |m|) = {(2,2), (2,1), (3,3), (3,2), (4,4)}, and mode mixing effects in the $\ell$ = 3, |m| = 2 harmonics. These AI models combine hybrid dilated convolution neural networks to accurately model both short- and long-range temporal sequential information of gravitational waves; and graph neural networks to capture spatial correlations among gravitational wave observatories to consistently describe and identify the presence of a signal in a three detector network encompassing the Advanced LIGO and Virgo detectors. We first trained these spatiotemporal-graph AI models using synthetic noise, using 1.2 million modeled waveforms to densely sample this signal manifold, within 1.7 h using 256 NVIDIA A100 GPUs in the Polaris supercomputer at the Argonne Leadership Computing Facility. This distributed training approach exhibited optimal classification performance, and strong scaling up to 512 NVIDIA A100 GPUs. With these AI ensembles we processed data from a three detector network, and found that an ensemble of 4 AI models achieves state-of-the-art performance for signal detection, and reports two misclassifications for every decade of searched data. We distributed AI inference over 128 GPUs in the Polaris supercomputer and 128 nodes in the Theta supercomputer, and completed the processing of a decade of gravitational wave data from a three detector network within 3.5 h. Finally, we fine-tuned these AI ensembles to process the entire month of February 2020, which is part of the O3b LIGO/Virgo observation run, and found 6 gravitational waves, concurrently identified in Advanced LIGO and Advanced Virgo data, and zero false positives. This analysis was completed in one hour using one NVIDIA A100 GPU.

79 ASTRONOMY AND ASTROPHYSICS↗

Boosting H I -Galaxy Cross-Clustering Signal through Higher-Order Cross-Correlations

After reionization, neutral hydrogen (${\rm H\, \small {I}}$) traces the large-scale structure (LSS) of the Universe, enabling ${\rm H\, \small {I}}$ intensity mapping (IM) to capture the LSS in 3D and constrain key cosmological parameters. We present a new framework utilizing higher-order cross-correlations to study ${\rm H\, \small {I}}$ clustering around galaxies, tested using real-space data from the IllustrisTNG300 simulation. This approach computes the joint distributions of k-nearest neighbor (kNN) optical galaxies and the ${\rm H\, \small {I}}$ brightness temperature field smoothed at relevant scales (the kNN-field framework), providing sensitivity to all higher-order cross-correlations, unlike two-point statistics. To simulate ${\rm H\, \small {I}}$ data from actual surveys, we add random thermal noise and apply a simple foreground cleaning model, filtering out Fourier modes of the brightness temperature field with k ∥ < k min,∥ . Under current levels of thermal noise and foreground cleaning, typical of a Canadian Hydrogen Intensity Mapping Experiment (CHIME)-like survey, the ${\rm H\, \small {I}}$-galaxy cross-correlation signal in our simulations, using the kNN-field framework, is detectable at >30σ across r = [3, 12] h –1 Mpc. In contrast, the detectability of the standard two-point correlation function (2PCF) over the same scales depends strongly on the foreground filter: a sharp k ∥ filter can spuriously boost detection to 8σ due to position-space ringing, whereas a less sharp filter yields no detection. Nonetheless, we conclude that kNN-field cross-correlations are robustly detectable across a broad range of foreground filtering and thermal noise conditions, suggesting their potential for enhanced constraining power over 2PCFs.

79 ASTRONOMY AND ASTROPHYSICS↗

Theory of resonant x-ray scattering with ultrafast intense pulses

Here, we present a time-dependent Schrödinger equation approach within a nonrelativistic quantum electrodynamics framework to investigate resonant x-ray scattering driven by intense x-ray pulses. This method enables us to explore how coherent x-ray electron dynamics influence scattering signals from Ne + . We account for both resonance fluorescence and elastic scattering channels, while also considering competing photoionization and inner-shell decay processes. By computing the angular distribution and energy spectrum of scattered photons, we uncover interference effects between elastic scattering and resonance fluorescence pathways. Notably, this interference results in a small asymmetry in the energy spectrum. We discuss the experimental potential for detecting signatures of interference. Our findings demonstrate that the x-ray Rabi dynamics can be used to control scattering responses and provide insights into interference mechanisms and scattering efficiency in high-intensity x-ray regimes.

Venkatesh, Akilesh [Argonne National Laboratory (A↗

Moments of nucleon unpolarized, polarized, and transversity parton distribution functions from lattice QCD at the physical point

The second Mellin moments ⟨ x ⟩ of the nucleon’s unpolarized, polarized, and transversity parton distribution functions are computed. Two lattice QCD ensembles at the physical pion mass are used: these were generated using a tree-level Symanzik-improved gauge action and 2 + 1 flavor tree-level improved Wilson Clover fermions coupling via 2-level HEX-smearing. The moments are extracted from forward matrix elements of local leading twist operators. We determine renomalization factors in RI-(S)MOM and match to MS ¯ at scale 2 GeV. Our findings show that operators that exhibit vanishing kinematics at zero momentum can have significantly reduced excited-state contamination. The resulting polarized moment is used to quantify the longitudinal contribution to the quark spin-orbit correlation. All our results agree within two sigma with previous lattice results. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear mass radius and pressure in the Skyrme model

We compute the mass radius, scalar radius, tensor radius, baryon number radius, and mechanical radius of nuclei with baryon number B = 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 32, 108 in the Skyrme model. The relations between these radii and the nuclear gravitational form factors are investigated. We also compute the ‘pressure’ distribution and find that it is negative in the core region for all the nuclei with B > 1 . This suggests that the way mechanical stability is achieved in nuclei is qualitatively different than in the nucleon. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Engineering Privacy at the Edge: A Practical Guide to Differential Privacy in System Architectures

The rapid expansion of distributed and edge computing platforms—spanning autonomous vehicles, IoT sensors, and healthcare monitors—has heightened concerns about data privacy. Differential Privacy (DP) offers a rigorous mathematical framework to protect sensitive information while retaining analytical utility. This tutorial introduces the foundations of DP for both numerical and categorical datasets and extends the discussion to correlation-aware techniques tailored for structured and high-dimensional data. Hands-on demonstrations will begin with the PETINA (Privacy prEservaTIoN Algorithms) package for numerical data and continue with MIC-DP (Maximum Information Correlated Differential Privacy) for tabular data. Designed for researchers and practitioners in secure systems, embedded architectures, and AI accelerators, the tutorial emphasizes practical and scalable methods for integrating DP into real-world system designs.

Kotevska, Olivera [ORNL] (ORCID:0000000316772243)↗

Design and Evaluation of a Model-Free Frequency Control Strategy in Islanded Microgrids with Power-Hardware-in-the-Loop Testing

The deterioration of inertial and primary frequency response of islanded microgrids has been a crucial issue for the proper operation of such microgrids. Several approaches, including inertia emulation strategies, have been proposed to improve the primary frequency response. However, the demonstrations of most inertia emulation research works are based on simulation-only testing which hinder their applicability in the field. In this paper, a novel model-free control (MFC) strategy for frequency response support in a diesel-wind microgrid system is presented, and it is tested for evaluation using a power-hardware-in-the-Ioop (PHIL) platform. The PHIL testing is one step closer to field testing since it allows real-time verification and accounts for the nonlinear grid dynamics, noise, and time delays that are usually ignored in simulation-only environments. The proposed MFC strategy is fully distributed, has low computational requirements, and can be easily implemented in resource constrained devices such as smart inverters. A PHIL microgrid platform consisting of two type-3 wind turbine generators and one diesel generator is used to test the proposed MFC strategy.

Ferrari Maglia, Max↗

Transmission-and-Distribution Dynamic Co-simulation Framework for Distributed Energy Resource Frequency Response

The rapid deployment of distributed energy resources (DERs) in distribution networks has made it challenging to balance the transmission system and stabilize frequency. DERs have the ability to provide frequency regulation services; however, existing frequency dynamic simulation tools - which were developed mainly for the transmission system - lack the capability to simulate distribution network dynamics with high penetrations of DERs. Although electromagnetic transient simulation tools can simulate distribution network dynamics, the computation efficiency limits their use for large-scale transmission-and-distribution (T&D) co-simulation. This paper presents an efficient open-source T&D dynamic co-simulation framework for DER frequency response based on the HELICS platform and off-the-shelf T&D simulators. The challenge of synchronizing the simulation time between the transmission network and the DERs in the distribution network is solved through the detailed modeling of DERs in frequency dynamic models while DER power flow models are also preserved in the distribution networks, thereby respecting local voltage constraints when dispatching DER power for frequency response. DER frequency response (primary and secondary) is simulated in case studies to validate the proposed framework. Last, the accuracy of the proposed co-simulation model is benchmarked, and a large T&D system simulation (2k transmission and 1M distribution nodes) is presented to demonstrate the efficiency and effectiveness of the overall framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Reeber v2.0

Reeber is a library for shared- and distributed-memory parallel computation of merge trees

Morozov, Dmitriy↗

Elga v.1

SAND2021-4635 O Elga is a software system that provides distributed and elastic computation for temporal graph algorithms. 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.

Gabert, Kasimir↗