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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 55 records · Page 3

Feasibility of critical infrastructure protection using network functions for programmable and decoupled ICS policy enforcement over WAN

Industrial control systems (ICS) represent a major component of our critical infrastructure. With the increasing need for more control and monitoring of such systems, ICS have seen an increase in connectivity to wide area networks (WAN) exposing aging equipment to rapidly evolving cybersecurity threats. Furthermore, the ICS data requires a reliability measure from the networks for critical functions for infrastructure monitoring and control. Especially when remote plant sites are involved such as pipelines, energy distribution networks, and transportation, WAN transport impairments most often provide a best effort delivery with no strict reliability guarantees. Network functions can provide a vendor agnostic, programmable critical infrastructure protection with a single maintenance, policy determination, and reliability assurance surface. A network function (NF) can be utilized for policy enforcement over the communication between remote entities and the main control office. This paper presents the research on transparent integration with existing ICS without disrupting communications, resulting in minimal downtime while decoupling the fast paced evolution of defensive security measures from the upgrade cycle of expensive long term hardware. We report our measurements on the resource requirements and overhead in the network for successful NF insertion under a wide variety of network impairments (network packet delay, reordering, and loss). Our paired NF implementation provides a policy enforcement platform extensible to cover myriad cybersecurity-related communication goals, including packet signing for verification, encryption for data privacy, packet filtering and data diode operation (i.e. protecting against eavesdropping, packet injection, and denial-of-service). Furthermore, bundling communication specifications into packet flows allows for tunability in applying policies as coarse- or fine-grained as the needs of the operator. We report on network function resource requirements in the form of required queue depth and network utilization overhead to inform the decision making against hardware cost constraints.

42 ENGINEERING↗

A Parallel Computing Infrastructure for Building Energy Simulation

In order to study grid-interactive efficient buildings, Pacific Northwest National Laboratories (PNNL) needs an infrastructure for urban-scale building energy modeling. Such an infrastructure should be fast, scalable, and easy-to-use. Given a set of data from the Energy Information Administration’s Commercial Building Energy Consumption Survey (CBECS) and tool to translate survey data into simulation inputs, this project aimed to conduct the simulation of the entire dataset in parallel. Before running the simulations, the necessary software was bundled into a container for use on the PNNL supercomputing network. Then, the parallel simulation workflow was designed using GNU Make, a file creation software, and submitted to a supercomputing partition which could run hundreds of simulations simultaneously. The EnergyPlus simulations output hourly electric meter data for each CBECS sample, which represents the electricity consumption of similar commercial buildings across the United States. Analyzing and visualizing the meter data is important to the future of the work, and this project wrote code to make common analysis methods simple, fast, and accessible. Moving forwards, the model will need to be expanded to include data from other sources and its accuracy will need to be improved and eventually validated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

PVAnalytics: A Python Package for Automated Processing of Solar Time Series Data

Multiple publicly available software packages exist that analyze solar time series data, including RdTools and Solar Data Tools, among others. Several of these packages contain their own unique quality assurance (QA) and feature recognition algorithms. The python PVAnalytics package was developed to offer an internally consistent source for these analysis tools, making it easier for the end user to deploy these routines on his or her solar data. The PVAnalytics package currently contains routines for outlier detection, inverter clipping detection, irradiance and temperature checks, orientation checks, and data shift detection, among other functions. These functions have been aggregated from various sources including Solar Forecast Arbiter, RdTools, and the QA process developed by NREL's PV Fleets Initiative. We are continuously adding new functionality to the package, including documentation, examples and algorithms. By bundling QA functionality into a single software package, we hope to make PVAnalytics a comprehensive software library to support analysis of solar metadata and time series data.

data cleaning↗

Probing the PeV region in the astrophysical neutrino spectrum using 𝜈 𝜇 from the Southern sky

IceCube has observed a diffuse astrophysical neutrino flux over the energy region from a few TeV to a few PeV. At PeV energies, the spectral shape is not yet well measured due to the low statistics of the data. This analysis probes the gap between 1 and 10 PeV by using high-energy downgoing muon neutrinos. Here, to reject the large atmospheric muon background, two complementary techniques are combined. The first technique selects events with high stochasticity to reject atmospheric muon bundles whose stochastic energy losses are smoothed due to high muon multiplicity. The second technique vetoes atmospheric muons with the IceTop surface array. Using 9 yrs of data, we found two neutrino candidate events in the signal region, consistent with expectation from background, each with relatively high signal probabilities. A joint maximum likelihood estimation is performed using this sample and an independent 9.5-yr sample of tracks to measure the neutrino spectrum. A likelihood ratio test is done to compare the single power-law (SPL) vs SPL+cutoff hypothesis; the SPL+cutoff model is not significantly better than the SPL. High-energy astrophysical objects from four source catalogs are also checked around the direction of the two events. No significant coincidence was found.

Abbasi, R. [Loyola University Chicago] (ORCID:0000↗

JGI Archive and Metadata Organizer (JAMO) v2.0.0

JAMO (JGI Archive and Metadata Organizer) helps researchers keep large collections of scientific files organized, findable, and safe. It lets you submit files with consistent, template-driven metadata, bundle related files into sets, and track them as a group instead of one by one. As data ages, JAMO automatically moves it from fast disk to cost-saving tape and can bring it back when needed, keeping storage lean without losing access. A simple web/CLI workflow supports submitting, checking status, retrying, and updating metadata. Compared with generic storage, JAMO's strengths are: clear, searchable metadata tuned for science; set-level organization that mirrors real projects; and built-in lifecycle care (archive, purge, restore) so you don't have to manage those steps yourself.

Cassol, Daniela [Lawrence Berkeley National Labora↗

Blockchain based Communication Architectures with Applications to Private Security Networks

Existing communication protocols in high consequence security networks are highly centralized. While this naively makes the controls easier to physically secure, external actors require fewer resources to disrupt the system because there are fewer points in the system can be destroyed or interrupted without the entire system failing. We present a solution to this problem using a proof-of-work-based blockchain implementation built on MultiChain. We construct a test-bed network containing two types of data input: visual imagers and microwave sensor information. These data types are ubiquitous in perimeter intrusion detection security systems and allow a realistic representation of a real-world network architecture. The cameras in this system use an object detection algorithm to nd important targets in the scene. The raw data from the camera and the outputs from the detection algorithm are then placed in a transaction on the distributed ledger. Similarly, microwave data is used to detect relevant events and are placed in a transaction. These transactions are then bundled into blocks and broadcast to the rest of the network using the Bitcoin-based MultiChain protocol. We develop five tests to examine the security metrics of our network. We performed the five security metric test using different sized networks from 7 to 39 nodes to determine how the metrics scale with respect to size. We nd that when compared to a centralized architecture our implementation provides a resiliency increase that is expected from a blockchain-based protocol without slowing the system so much that a human operator would notice. Furthermore, our approach is able to detect tampering in real time. Based on these results, we theorize that security networks in general could use a blockchain-based approach in a meaningful way.

97 MATHEMATICS AND COMPUTING↗

Model America: Data and Models for every U.S. Building

The 5-year goal of the “Model America” concept was to generate a model of every building in the United States. This data repository delivers on that goal with "Model America v1". Oak Ridge National Laboratory (ORNL) has developed the Automatic Building Energy Modeling (AutoBEM) software suite to process multiple types of data, extract building-specific descriptors, generate building energy models, and simulate them on High Performance Computing (HPC) resources. For more information, see AutoBEM-related publications (bit.ly/AutoBEM). There were 125,715,609 buildings detected in the United States. Of this number, 122,146,671 (97.2%) buildings resulted in a successful generation and simulation of a building energy model. This dataset includes the full 125 million buildings. Future updates may include additional buildings, data improvements, or other algorithmic model enhancements in "Model America v2". This dataset contains OSM and IDF zip files for every U.S. county. Each zip file contains the generated buildings from that county. The .csv input data contains the following data fields: 1. ID - the Unique Building Identifier (UBID), generated using the Pacific Northwest National Laboratory (PNNL) BuildingID framework 2. Centroid - building center location in latitude/longitude (from Footprint2D) 3. Footprint2D - building polygon of 2D footprint (lat1/lon1_lat2/lon2_...) 4. State_abbr - state name 5. Area - estimate of total conditioned floor area (ft2) 6. Area2D - footprint area (ft2) 7. Height - building height (ft) 8. NumFloors - number of floors (above-grade) 9. WWR_surfaces - percent of each facade (pair of points from Footprint2D) covered by fenestration/windows (average 14.5% for residential, 40% for commercial buildings) 10. CZ - ASHRAE Climate Zone designation 11. BuildingType - DOE prototype building designation (IECC=residential) as implemented by OpenStudio-standards 12. Standard - building vintage This data is made free and openly available in hopes of stimulating any simulation-informed use case. Data is provided as-is with no warranties, express or implied, regarding fitness for a particular purpose. We wish to thank our sponsors which include Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD), U.S. Dept. of Energy’s (DOE) Building Technologies Office (BTO), Office of Electricity (OE), Biological and Environmental Research (BER), and National Nuclear Security Administration (NNSA). Update (September 23, 2025): We corrected the ID field in all state-level.csv input files to ensure one-to-one consistency with the corresponding .osm and .idf output files. The schema and file structure are unchanged; only the values in the ID column were modified. No files were added or removed, and the .zip bundles (containing .osm / .idf) are unchanged. The corrected .csv inputs were re-extracted in March 2025 from the original data generated ~ 2021 (Theta supercomputer runs), and published here to align input IDs with model outputs. Update (September 6, 2026): The Model America dataset was updated to replace the previous building ID field with the Unique Building Identifier (UBID), using the Pacific Northwest National Laboratory (PNNL) BuildingID framework. UBIDs provide standardized, location-based identifiers for individual building footprints and improve interoperability with other building and geospatial datasets. The data files containing the previous building identifiers were updated to include UBIDs. This update standardizes building identification; the underlying Model America building characteristics and energy simulation results were not recomputed as part of this update.

54 ENVIRONMENTAL SCIENCES↗

Constructing A New CHF Look-Up Table Based on the Domain Knowledge Informed Machine Learning Methodology

Accurate prediction of CHF under various fluid flow conditions continues to be required for design, operation and safety analysis of light water reactor rod bundles. Due to the lack of in-depth physical understanding as well as limited high-resolution data in the micro-scale flow and heat transfer, the existing models feature a sub-optimal uncertainty band. In this study, driven by the prior domain knowledge information obtained, an improved CHF look-up table is developed through unified machine learning algorithms for the vertical flow conditions within tube and annulus geometry. The Groeneveld 2006 look-up table is used as the domain knowledge to train machine learning process against tube and annulus CHF data for both DNB and DO type. The new look-up table shows improved accuracy for conditions relevant to PWRs and BWRs. In addition, its domain knowledge informed nature ensures that a rationale prediction can be made, thus accounting for previous valuable information in the machine learning model training process.

Jin, Yue↗

Non-averaged single-molecule tertiary structures reveal RNA self-folding through individual-particle cryo-electron tomography

Large-scale and continuous conformational changes in the RNA self-folding process present significant challenges for structural studies, often requiring trade-offs between resolution and observational scope. Here, we utilize individual-particle cryo-electron tomography (IPET) to examine the post-transcriptional self-folding process of designed RNA origami 6-helix bundle with a clasp helix (6HBC). By avoiding selection, classification, averaging, or chemical fixation and optimizing cryo-ET data acquisition parameters, we reconstruct 120 three-dimensional (3D) density maps from 120 individual particles at an electron dose of no more than 168 e - Å -2 , achieving averaged resolutions ranging from 23 to 35 Å, as estimated by Fourier shell correlation (FSC) at 0.5. Each map allows us to identify distinct RNA helices and determine a unique tertiary structure. Statistical analysis of these 120 structures confirms two reported conformations and reveals a range of kinetically trapped, intermediate, and highly compacted states, demonstrating a maturation folding landscape likely driven by helix-helix compaction interactions.

36 MATERIALS SCIENCE↗

Multiscale Microtubule Dynamics in Active Nematics

In microtubule-based active nematics, motor-driven extensile motion of microtubule bundles powers chaotic large-scale dynamics. We quantify the interfilament sliding motion both in isolated bundles and in a dense active nematic. The extension speed of an isolated microtubule pair is comparable to the molecular motor stepping speed. In contrast, the net extension in dense 2D active nematics is significantly slower; the interfilament sliding speeds are widely distributed about the average and the filaments exhibit both contractile and extensile relative motion. These measurements highlight the challenge of connecting the extension rate of isolated bundles to the multimotor and multifilament interactions present in a dense 2D active nematic. Furthermore, they also provide quantitative data that is essential for building multiscale models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Native Architecture of Wheat Straw Cell Walls: A Unified Model from X-ray Scattering and Solid-State NMR

Plant secondary cell walls constitute the dominant reservoir of renewable biomass, comprising tightly packed cellulose, hemicellulose, and lignin at the nanoscale. Recent advances in solid-state NMR spectroscopy and the availability of small-angle X-ray scattering for biomass characterization have led to an accumulation of experimental data on cell wall organization, yet no explicit structure model has simultaneously satisfied both Xray and NMR observations. Using wheat straw as a model system, we propose a structural framework consistent with current knowledge of cellulose biosynthesis, X-ray scattering data, and one- and two-dimensional 13 C solid-state NMR spectra. In this model, 18-chain elementary fibrils align in parallel and populate the cross-section at random. Arabinose-substituted xylan shows no conformational dependence for cellulose-binding in wheat, and only a minor fraction of 2-fold xylan appears in close proximity to cellulose, unlike in Arabidopsis, where xylan is more tightly attached to the cellulose surface. While NMR data cannot unambiguously resolve the internal arrangement of the 18 glucan chains, X-ray scattering profiles uniquely constrain the fibril size and exclude the possibility of tight bundling in the intact walls. The specific interaction between the matrix polymers and the cellulose elementary fibrils must be reconsidered in light of the small interfibril spaces, which bring the matrix components into spatial proximity with cellulose even in the absence of attractive interactions. These findings provide fundamental molecular-level insight into cellulose fibril architecture and matrix−polymer interactions, resolving longstanding discrepancies between spectroscopic and scattering data and advancing our understanding of biopolymer assembly into structurally and functionally versatile lignocellulosic biomaterials.

Carbohydrates↗

Turbulent flow characteristics in an 84-pin rod bundle for typical and damaged spacer grids

Hexagonal rod bundles arranged in a tightly packed triangular lattice are extensively used for heat transfer and energy generation applications. Staggered spacer grids are used to maintain the structural integrity of gas-cooled fast reactor (GFR) fuel assemblies, while inducing localized turbulence in flow. Damage to these spacer grids results in a disruption of flow fields within these hexagonal fuel bundles. Experimental flow visualizations are critical to identify the differences in local flow properties that the structural damage may cause. This experimental research investigates the flow-field characteristics at a near-wall and center plane in a prototypical 84-pin GFR fuel assembly. Newly installed typical spacers and spacers subject to naturally occurring damage due to material degradation over prolonged experimentation were investigated. Velocity fields were acquired by utilizing the matched-index-of-refraction method to obtain time-resolved particle image velocimetry measurements for a Reynolds number of 12 000. Reynolds decomposition statistical results divulged differences in the time-averaged velocity, velocity fluctuations, flow anisotropy, and Reynolds stress distributions. Galilean decomposition demarcated the influence of spacer grid damage on the velocity fields. To extract turbulent structures and elucidate mechanisms of flow instabilities, proper orthogonal decomposition analysis was employed. Reduced order flow reconstructions enabled the application of vortex identification algorithms to determine the spatial and statistical characteristics of vortices generated. This research work provides unique experimental data on the spacer grid condition-dependent flow. The results offer a deeper understanding of fluid dynamics behavior to support GFR rod bundle design efforts and computational fluid dynamics model validation.

36 MATERIALS SCIENCE↗

A high-throughput experimentation platform for data-driven discovery in electrochemistry

Automating electrochemical analyses combined with artificial intelligence is poised to accelerate discoveries in renewable energy sciences and technologies. This study presents an automated high-throughput electrochemical characterization (AHTech) platform as a cost-effective and versatile tool for rapidly assessing liquid analytes. The Python-controlled platform combines a liquid handling robot, potentiostat, and customizable microelectrode bundles for diverse, reproducible electrochemical measurements in microtiter plates, minimizing chemical consumption and manual effort. To showcase the capability of AHTech, we screened a library of 180 small molecules as electrolyte additives for aqueous zinc metal batteries, generating data for training machine learning models to predict Coulombic efficiencies. Key molecular features governing additive performance were elucidated using Shapley Additive exPlanations and Spearman’s correlation, pinpointing high-performance candidates like cis-4-hydroxy-d-proline, which achieved an average Coulombic efficiency of 99.52% over 200 cycles. The workflow established herein is highly adaptable, offering a powerful framework for accelerating the exploration and optimization of extensive chemical spaces across diverse energy storage and conversion fields.

Lin, Dian-Zhao [Johns Hopkins University, Baltimor↗

Cross-sectoral synergies for household energy savings: the role of electric vehicles, solar photovoltaics, and remote work

Over the past two decades, new technologies and behavioral shifts – such as electric vehicles, solar photovoltaics, and increased work-from-home practices – have reshaped residential electricity consumption and cost. However, their combined or synergistic impact on a household’s electricity cost remains unexplored. Leveraging data from the 2020 Residential Energy Consumption Survey, this study uses a structural equation model to unravel the extent to which the bundled adoption of EV-PV and stay-at-home decisions impact the total electricity cost of households. Results indicate that adopting both EVs and PV reduces electricity costs by 31% despite a 16% rise in consumption. When combined with stay-at-home practices, households still experience a 13% cost reduction, even with a 25% increase in electricity consumption. In conclusion, these findings suggest that financial savings are not merely a byproduct of adopting new technologies or behavioral changes but could serve as a key consideration for household contemplating engagement with multiple modern energy solutions simultaneously.

14 SOLAR ENERGY↗

Machine learning and algebraic approaches towards complete matter spectra in 4d F-theory

Motivated by engineering vector-like (Higgs) pairs in the spectrum of 4d F-theory compactifications, we combine machine learning and algebraic geometry techniques to analyze line bundle cohomologies on families of holomorphic curves. To quantify jumps of these cohomologies, we first generate 1.8 million pairs of line bundles and curves embedded in dP 3 , for which we compute the cohomologies. A white-box machine learning approach trained on this data provides intuition for jumps due to curve splittings, which we use to construct additional vector-like Higgs-pairs in an F-Theory toy model. We also find that, in order to explain quantitatively the full dataset, further tools from algebraic geometry, in particular Brill-Noether theory, are required. Using these ingredients, we introduce a diagrammatic way to express cohomology jumps across the parameter space of each family of matter curves, which reflects a stratification of the F-theory complex structure moduli space in terms of the vector-like spectrum. Furthermore, these insights provide an algorithmically efficient way to estimate the possible cohomology dimensions across the entire parameter space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DISCO GUI v.1

SAND2024-08619O The DISCO GUI software, written in MATLAB, allows for data calibration for X-ray diffraction work at Sandia National Labs’ Z Machine. The program manually identifies and manipulates images from seven fiber bundles based on a calibration reticle. 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.

Smith, Anthony↗

Code Validation of SAM Using Forced and Natural Circulation Data from NACIE-UP Benchmark

Heavy liquid metals (HLMs) are promising candidates as coolants of Generation IV fast reactors due to their thermophysical properties. In the last decade, experimental work has been proposed as part of research and development efforts to develop such systems. In this context, researchers from the Brasimone Research Center have conducted many experiments using the Natural Circulation Experiment Upgrade (NACIE-UP) facility to study the thermofluid dynamic behavior of HLMs in rod bundle configurations with or without wire wrappers. This facility consists of a rectangular loop operated with lead-bismuth eutectic. Sensors across the loop monitor relevant parameters, i.e. temperatures, heat transfer, and flow conditions. Here, in the present work, we carefully select published data from NACIE-UP to validate the System Analysis Module (SAM), a modern system analysis code developed at Argonne National Laboratory. We developed one SAM model using specifications of the facility geometry and materials existing in relevant papers and reports. On top of that, these references provided the boundary conditions for simulating natural circulation and forced convection experiments in either steady or transient conditions. The SAM model simulates five test cases with diverse operating conditions. Ultimately, the code is proven to predict temperatures and mass flow rates that closely match the experiments. The discrepancies between numerical predictions and diverse transients are limited to a few degrees Celsius, showcasing that SAM is well suited for analyzing nuclear systems relying on HLM coolants.

advanced reactors↗