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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33

An adaptive approach to machine learning for compact particle accelerators

Abstract Machine learning (ML) tools are able to learn relationships between the inputs and outputs of large complex systems directly from data. However, for time-varying systems, the predictive capabilities of ML tools degrade if the systems are no longer accurately represented by the data with which the ML models were trained. For complex systems, re-training is only possible if the changes are slow relative to the rate at which large numbers of new input-output training data can be non-invasively recorded. In this work, we present an approach to deep learning for time-varying systems that does not require re-training, but uses instead an adaptive feedback in the architecture of deep convolutional neural networks (CNN). The feedback is based only on available system output measurements and is applied in the encoded low-dimensional dense layers of the encoder-decoder CNNs. First, we develop an inverse model of a complex accelerator system to map output beam measurements to input beam distributions, while both the accelerator components and the unknown input beam distribution vary rapidly with time. We then demonstrate our method on experimental measurements of the input and output beam distributions of the HiRES ultra-fast electron diffraction (UED) beam line at Lawrence Berkeley National Laboratory, and showcase its ability for automatic tracking of the time varying photocathode quantum efficiency map. Our method can be successfully used to aid both physics and ML-based surrogate online models to provide non-invasive beam diagnostics.

97 MATHEMATICS AND COMPUTING↗

Accelerating Radiation Computations for Dynamical Models With Targeted Machine Learning and Code Optimization

Abstract Atmospheric radiation is the main driver of weather and climate, yet due to a complicated absorption spectrum, the precise treatment of radiative transfer in numerical weather and climate models is computationally unfeasible. Radiation parameterizations need to maximize computational efficiency as well as accuracy, and for predicting the future climate many greenhouse gases need to be included. In this work, neural networks (NNs) were developed to replace the gas optics computations in a modern radiation scheme (RTE+RRTMGP) by using carefully constructed models and training data. The NNs, implemented in Fortran and utilizing BLAS for batched inference, are faster by a factor of 1–6, depending on the software and hardware platforms. We combined the accelerated gas optics with a refactored radiative transfer solver, resulting in clear‐sky longwave (shortwave) fluxes being 3.5 (1.8) faster to compute on an Intel platform. The accuracy, evaluated with benchmark line‐by‐line computations across a large range of atmospheric conditions, is very similar to the original scheme with errors in heating rates and top‐of‐atmosphere radiative forcings typically below 0.1 K day −1 and 0.5 W m −2 , respectively. These results show that targeted machine learning, code restructuring techniques, and the use of numerical libraries can yield material gains in efficiency while retaining accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symplectic machine learning model for fast simulation of space-charge effects

Symplectic simulation of space-charge effects is crucial for the design and operation of high-intensity particle accelerators. Traditional methods for simulating these effects are often computationally expensive, resulting in significant overhead. In this work, we introduce a generative model based on a U-Net architecture within a generative adversarial network framework to efficiently simulate space-charge effects. The model is trained to predict the transverse multiparticle space-charge Hamiltonian, which can be physically computed using a gridless spectral method. The one-step symplectic transverse transfer map for the particles is then obtained by differentiating the predicted Hamiltonian. Benchmarking results demonstrate that this generative model achieves an order of magnitude higher computational efficiency compared to the spectral method, providing a highly efficient alternative for simulating space-charge effects with a large number of particles. By maintaining symplecticity, the model effectively preserves the phase-space structure and mitigates nonphysical errors in long-term simulations. This model has been integrated into jutrack, a novel autodifferentiable accelerator modeling code developed in the julia programming language.

Beam code development & simulation techniques↗

Permutationally Invariant Networks for Enhanced Sampling (PINES): Discovery of Multimolecular and Solvent-Inclusive Collective Variables

The typically rugged nature of molecular free energy landscapes can frustrate efficient sampling of the thermodynamically relevant phase space due to the presence of high free energy barriers. Enhanced sampling techniques can improve phase space exploration by accelerating sampling along particular collective variables (CVs). A number of techniques exist for data-driven discovery of CVs parameterizing the important large scale motions of the system. A challenge to CV discovery is learning CVs invariant to symmetries of the molecular system, frequently rigid translation, rigid rotation, and permutational relabeling of identical particles. Of these, permutational invariance has proved a persistent challenge in frustrating the data-driven discovery of multi-molecular CVs in systems of self-assembling particles and solvent-inclusive CVs for solvated systems. In this work, we integrate Permutation Invariant Vector (PIV) featurizations with autoencoding neural networks to learn nonlinear CVs invariant to translation, rotation, and permutation, and perform interleaved rounds of CV discovery and enhanced sampling to iteratively expand sampling of configurational phase space and obtain converged CVs and free energy landscapes. Here, we demonstrate the Permutationally Invariant Network for Enhanced Sampling (PINES) approach in applications to the self-assembly of a 13-atom Argon cluster, association/dissociation of a NaCl ion pair in water, and hydrophobic collapse of a C 45 H 92 n-pentatetracontane polymer chain. We make the approach freely available as a new module within the PLUMED2 enhanced sampling libraries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Science Uses Deployment Operations-Advanced Wireless: Exploring Open Radio Access Network Technologies for Energy Science

Open Radio Access Network is emerging as a solution to the increasing demand for more flexible, cost-effective, and advanced mobile network infrastructures. This evolution is driven by advancements in wireless technologies and the growing complexity of deploying and managing these networks. O-RAN represents a significant shift in wireless technology, building upon the 3rd Generation Partnership Project framework to foster openness, flexibility, and interoperability. By decoupling hardware and software components, Open Radio Access Network enables a multi-vendor ecosystem that encourages innovation and diverse solutions. Open Radio Access Network's potential extends beyond traditional wireless applications, with growing interest in its role in advancing energy systems, particularly in the context of smart grids, microgrids, and the integration of renewable energy sources. While the role of open-wireless technologies in driving energy transformation is increasingly recognized, further exploration is needed. Vendors and utilities are investigating how Open Radio Access Network technologies can optimize energy use cases and improve the performance of 5G and beyond applications. This report outlines efforts under the Science Uses Deployment Operations Advance Wireless project, a collaboration between the National Laboratory of the Rockies' Cybersecurity Research Center, Argonne National Laboratory, Lawrence Berkeley National Laboratory, and the Department of Energy's Energy Science Network research and operations staff. The focus of this project is on due diligence, through testing and evaluation, preparing for the deployment of advanced wireless infrastructure for scientific use cases, with an emphasis on Open Radio Access Network technology, its components, integrations, and its ability to support vertical stack application across the energy sector. Additionally, the report highlights the value cases for utilities, underscoring how adopting open wireless standards can accelerate the evolution of energy systems, foster innovation, and improve the integration of critical energy technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Equivariant, safe and sensitive — graph networks for new physics

This study introduces a novel Graph Neural Network (GNN) architecture that leverages infrared and collinear (IRC) safety and equivariance to enhance the analysis of collider data for Beyond the Standard Model (BSM) discoveries. By integrating equivariance in the rapidity-azimuth plane with IRC-safe principles, our model significantly reduces computational overhead while ensuring theoretical consistency in identifying BSM scenarios amidst Quantum Chromodynamics backgrounds. The proposed GNN architecture demonstrates superior performance in tagging semi-visible jets, highlighting its potential as a robust tool for advancing BSM search strategies at high-energy colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Discovering Innovations in Stress Tolerance through Comparative Gene Regulatory Network Analysis and Cell-Type Specific Expression Maps (Final Technical Report with Cover Page)

Through this grant, we developed a comparative framework to elucidate the mechanisms behind variations in environmental stress responses among a diverse group of species within the Brassicaceae family. Our focus was on the differences in physiological and transcriptomic responses to abscisic acid (ABA), a hormone associated with water stress. We examined the differential growth responses of four Brassicaceae species, finding that most exhibited reduced root growth correlated with smaller meristem size. In contrast, Schrenkiella parvula showed accelerated growth due to increased root cell elongation. We employed RNA sequencing to analyze the transcriptional responses to ABA across these species, and innovative bioinformatics techniques were used to pinpoint biological pathways with significant divergence. Additionally, we utilized DAP-seq to map the gene regulatory networks associated with ABAresponsive transcription factors, revealing that variations in the regulation of growth hormone biosynthesis play a critical role in the distinct ABA effects on root growth among the species. This research sets a new standard for comparative physiology by integrating comparative genomics and transcriptomics to uncover pathway divergences.

59 BASIC BIOLOGICAL SCIENCES↗

Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility

Lucina pectinata live in high concentrations of hydrogen sulfide (H 2 S) and contains one hemoglobin, Hemoglobin I (HbI), transporting H 2 S and two hemoglobins, Hemoglobin II (HbII) and Hemoglobin (HbIII), transferring dioxygen to symbionts. HbII and HbIII contain B10 tyrosine (Tyr) and E7 glutamine (Gln) in the heme pocket generating an efficient hydrogen bonding network with the (HbII-HbIII)-O 2 species, leading to very low ligand dissociation rates. The results indicate that the oxy-hemeprotein is susceptible to pH from 4 to 9, at acidic conditions, and as a function of the potassium ferricyanide concentration, 100% of the met-aquo derivative is produced. Without a strong oxidant, pH 5 generates a small concentration of the met-aquo complex. The process is accelerated by the presence of salts, as indicated by the crystallization structures and UV–Vis spectra. The results suggest that acidic pH generates conformational changes associated with B10 and E7 heme pocket amino acids, weakening the (HbII-HbIII)-O 2 hydrogen bond network. The observation is supported by X-ray crystallography, since at pH 4 and 5, the heme-Fe tends to oxidize, while at pH 7, the oxy-heterodimer is present. Additionally, conformational changes are observed at higher pH by the presence of a 605 nm transition associated with the iron heme-Tyr interaction. Therefore, pH is one crucial factor regulating the (HbII-HbIII)-O 2 complex hydrogen-bonding network. Thus, it can be proposed that the hydrogen bonding adjustments between the heme bound O 2 and the Tyr and Gln amino acids contribute to oxygen dissociation from the (HbII-HbIII)-O 2 system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Image-Based Fracture Surface Defect Characterization Methods for Additively Manufactured Ti-6Al-4V Tested in Fatigue

Abstract Fatigue initiation in additively manufactured samples/parts often occurs at processed-induced defects such as lack-of-fusion (LoF), keyhole, or other morphological/microstructural defects that have unique characteristics and measurable qualities. Attempts at identifying and minimizing such defects have utilized optimized processing conditions along with in situ and ex situ characterization that includes metallography and/or X-ray computed tomography (XCT). This paper highlights the benefits of using fracture surface analyses to detect and quantify defects that may not be detected by metallography/XCT due to sectioning and resolution limits. In addition to using manual quantification of fatigue initiating LoF and keyhole defects on fracture surfaces, image-based machine learning using convolutional neural networks such as U-Net were also used to automate the process. Statistical analyses were used to identify the extreme cases of defects that initiated and accelerated fatigue and to model the distribution of defect size and shape characteristics to distinguish the type of defect. Initial results show agreement between trained machine learning models and ground truth data in defect segmentation, and the distributions of defect characteristics are distinguishable to particular process-induced defect types.

Materials Science↗

Communication-Constrained Expansion Planning for Resilient Distribution Systems

Distributed generation and remotely controlled switches have emerged as important technologies to improve the resiliency of distribution grids against extreme weather-related disturbances. Therefore it becomes important to study how best to place them on the grid in order to meet a resiliency criteria, while minimizing costs and capturing their dependencies on the associated communication systems that sustain their distributed operations. This paper introduces the Optimal Resilient Design Problem for Distribution and Communication Systems (ORDPDC) to address this need. The ORDPDC is formulated as a two-stage stochastic mixed-integer program that captures the physical laws of distribution systems, the communication connectivity of the smart grid components, and a set of scenarios that specifies which components are affected by potential disasters. The paper proposes an exact branch-and-price algorithm for the ORDPDC that features a strong lower bound and a variety of acceleration schemes to address degeneracy. The ORDPDC model and branch-and-price algorithm were evaluated on a variety of test cases with varying disaster intensities and network topologies. The results demonstrate the significant impact of the network topologies on the expansion plans and costs, as well as the computational benefits of the proposed approach.

97 MATHEMATICS AND COMPUTING↗

Issues in gravitational wave detection with space missions

Two masses freely orbiting in the solar system, separated by several astronomical units, are proposed as antennas for the detection of monochromatic gravitational radiation emitted by double stars. If one of these masses was an artificial satellite, then relative acceleration could be measured by the Doppler effect on the satellite radio signal. A highly accurate clock would have to be invented and incorporated into the tracking network in order for this plan to be feasible.

Davies, R. W.↗

Climatology of the equatorial lower stratosphere

Twenty years of radiosonde data have been analyzed in an attempt to develop a latitudinal structure climatology of winds, temperature and geopotential at 30 and 50 mb in the equatorial stratosphere. The fine latitudinal resolution provided by the WMO station network reveals several interesting features in the latitudinal structure of the annual and quasi-biennial cycles which dominate this region. For example, the westerly and easterly acceleration phases of the quasi-biennial oscillation are markedly different. Westerly accelerations appear first at the equator, spreading outward with time to higher latitudes, and are more intense, on average, than the easterly accelerations. The easterly accelerations are more uniform in latitude, but less uniform in time, sometimes occurring in two stages. The quasi-biennial wind and temperature oscillations are symmetric about the equator, while the annual harmonic in zonal wind is antisymmetric about the equator, but is not proportional to the Coriolis parameters. Monthly mean zonal wind and temperature appear to be in thermal wind balance at the equator. Some brief remarks are also made concerning variability of the quasi-biennial oscillation and the effects of El Chichon.

Dunkerton, T. J.↗

Design and Performance Estimates of an Ablative Gallium Electromagnetic Thruster

The present study details the high-power condensable propellant research being conducted at NASA Glenn Research Center. The gallium electromagnetic thruster is an ablative coaxial accelerator designed to operate at arc discharge currents in the range of 10-25 kA. The thruster is driven by a four-parallel line pulse forming network capable of producing a 250 microsec pulse with a 60 kA amplitude. A torsional-type thrust stand is used to measure the impulse of a coaxial GEM thruster. Tests are conducted in a vacuum chamber 1.5 m in diameter and 4.5 m long with a background pressure of 2 microtorr. Electromagnetic scaling calculations predict a thruster efficiency of 50% at a specific impulse of 2800 seconds.

Thomas, Robert E.↗

Low-latency NuMI Trigger for the CHIPS-5 Neutrino Detector

The CHIPS R&D project aims to develop affordable water Cherenkov detectors for large-scale underwater installations. In 2019, a 5kt prototype detector CHIPS-5 was deployed in northern Minnesota to study neutrinos generated by the nearby NuMI beam. This contribution presents a dedicated low-latency time distribution system for CHIPS-5 that delivers timing signals from the Fermilab accelerator to the detector with sub-nanosecond precision. Exploiting existing NOvA infrastructure, the time distribution system achieves this only with open-source software and conventional network elements. In a time-of-flight study, the presented system has reliably offered a time budget of $610 \pm 330\text{ ms}$ for on-site triggering. This permits advanced analysis in real-time as well as a novel hardware-assisted active triggering mode, which reduces DAQ computing load and network bandwidth outside triggered time windows.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Framework for Neural Network Inference on FPGA-Centric SmartNICs

FPGA-based SmartNICs offer great potential to significantly improve the performance of high-performance computing and warehouse data processing by tightly coupling support for reconfigurable data-intensive computation with cross-node communication, thereby mitigating the von Neumann bottleneck. Existing work, however, has been generally been limited in that it assumes an accelerator model where kernels are offloaded to SmartNICs, but most control tasks are left to the CPUs. This leads to frequent waiting, inferior performance, and scaling challenges. In this work, we propose a new distributive data-centric computing framework, named FCsN, for reconfigurable SmartNIC-based systems. Through a lightweight task circulation execution model and its implementation architecture, FCsN allows the complete detaching of kernel execution, control logic, system scheduling, and network communication to the SmarNICs. This boosts performance by: (i) avoiding the control dependency with CPUs and (ii) supporting streaming kernel execution and network communication at line rate and in a very fine-grained manner. We demonstrate the efficiency and flexibility of FCsN using various types of neural network applications including graph neural networks; as these last are both irregular and data intensive they offer an especially robust demonstration. Evaluations using commonly-used neural network models and graph datasets show that a system with the support of FCsN can achieve, on average, 144 speedups over the MPI-based standard CPU baselines.

Guo, Anqi↗

Novel High-Power Microwave Circulator Employing Circularly Polarized Waves

A novel four-port circulator is presented which uses an inline ferromagnetic element to allow for transmission or reflection depending on the sense of the incident circularly polarized wave. This configuration has been shown to reduce the dependency on ferrite anisotropy and support higher power, low rf loss, operation. An analytic analysis of this device is presented here alongside corroborating cold test data of the first prototype. High-power operation was performed at 2.856 GHz, with input power levels up to 8 MW for 3.5 μs in a pressurized nitrogen environment. The results from this research not only demonstrate ability to eliminate the use of greenhouse insulators, such as SF6, but also provide conceptual groundwork for a new class of ultrahigh power (50 MW+) nonreciprocal networks including circulators, isolators, phase shifters, and rf switches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Accelerated carbonation and structural transformation of blast furnace slag by mechanochemical alkali-activation

Alternative cements and production routes are necessary to offset the considerable global CO 2 emissions of Portland cement production. The combination of alkali-activation and mechanochemical milling in a CO 2 rich atmosphere is a promising green direction for synthesizing cementitious material as it upcycles hazardous material (slag) while capturing wt% of CO 2 during synthesis. We investigate the resulting structural transformations incurred during synthesis and hydration using a suite of characterization techniques including solid-state 27 Al, 29 Si, and 13 C NMR. The local aluminosilicate network structure of the processed clinker is best described by a melilite-type structure. Upon hydration, the network polymerizes to form a calcium, sodium aluminosilicate hydrate gel. The synthesis route also creates various metastable carbonates and bicarbonates from captured CO 2 and alkali-additives that transform into stable carbonate phases like calcite, aragonite, and gaylussite, after hydration. These findings indicate accelerated carbonation reactions occur during clinker production and demonstrates novelty as a green cement technology.

36 MATERIALS SCIENCE↗

Online Modelling and Optimization of Nonlinear Integrable Systems

Nonlinear integrable optics was recently proposed as a design approach to increase the limits on beam brightness and intensity imposed by fast collective instabilities. To study these systems experimentally, a new research electron and proton storage ring, the Integrable Optics Test Accelerator, was constructed and recently commissioned at Fermilab. Beam-based diagnostics and online modelling of nonlinear systems presents unique challenges - in this paper, we report on our efforts to develop optimization methods suited for such lattices. We explore the effectiveness of neural networks as fast online surrogate estimators, and integrate them into a beam-based tuning algorithm. We also develop a method of knob dimensionality reduction and subsequent robust multivariate optimization for maximizing key performance metrics under complicated lattice optics constraints.

43 PARTICLE ACCELERATORS↗