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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Performant, Scalable Processing Pipeline for High‐Quality and FAIR Environmental Sensor Data

High-resolution environmental monitoring is necessary to record, understand, and predict biogeochemical and ecological changes particularly in coastal systems but brings significant challenges in processing and making rapidly available the resulting data. The COMPASS-FME project established a network of coastal observational sites across the Chesapeake Bay and western Lake Erie regions extensively instrumented with soil, vegetation, and weather sensors logging data every 15 min. Our data processing framework, written in R and completely open source, prioritizes rapid model-experiment iteration and makes biogeochemical data rapidly available for quality assurance/quality control, analysis, and model ingestion. This pipeline is distinguished by a standardized and modular approach to data curation, extensive metadata and documentation, and its high performance. These attributes combine to make biogeochemical data rapidly accessible across COMPASS-FME and the broader community. Flexible, powerful, and reproducible approaches to handling high-volume environmental data are crucial for accelerating biogeosciences research.

Pennington, Stephanie C. [Pacific Northwest Nation↗
DOE OSTI2025

A comprehensive approach for elucidating the interplay between 4f n +1 and 4f n 5d 1 configurations in Ln 2+ complexes

Lanthanides (Ln) are typically found in the +3 oxidation state. However, in recent decades, their chemistry has been expanded to include the less stable +2 oxidation state across the entire series except promethium (Pm), facilitated by the coordination of ligands such as trimethylsilylcyclopentadienyl, C 5 H 4 SiMe 3 (Cp'). The [LnCp' 3 ] complexes have been the workhorse for the synthesis and theoretical study of the fundamental aspects of divalent lanthanide chemistry, where experimental and computational evidence have suggested the existence of different ground state (GS) configurations, 4f n+1 or 4f n 5d 1 , depending on the specific metal. Standard reduction potentials and 4f n+1 to 4f n 5d 1 promotion energies have been two factors usually considered to rationalize the occurrence of these variable GS configurations, however the driving force behind this phenomenon is still not clear. In this work we present a comprehensive theoretical approach to shed light on this matter using the [LnCp 3 ] - model systems. We begin by calculating 4f n+1 to 4f n 5d 1 promotion energies and successfully correlate them with existing experimental data. Furthermore, we analyze how changes in the GS charge distribution between the Ln ions, LnCp 3 and the reduced [LnCp 3 ] - complexes (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) correlate with experimental trends in redox potentials and the calculated promotion energies. For this purpose, a comprehensive theoretical work that includes relativistic ligand field density functional theory (LFDFT) and relativistic ab initio wavefunction methods was performed. This study will help the rational design of suitable environments to tune the different GS configurations as well as modulating the spectroscopic properties of new Ln 2+ complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Molecular-based analysis of nanoparticle solvation: Classical density functional approach

Proper statistical mechanics understanding of nanoparticle solvation processes requires an accurate description of the molecular structure of the solvent. Achieving this goal with standard molecular dynamics (MD) simulation methods is challenging due to large length scales. An alternative approach to this problem can be formulated using classical density functional theory (cDFT), where a full configurational description of the positions of all the atoms is replaced by collective atomic site densities in the molecule. Using an example of the negatively charged silica-like system in an aqueous polar environment represented by a two-site water model, we demonstrate here that cDFT can reproduce MD data at a fraction of the computational cost. An important implication of this result is the ability to understand how the solvent molecular features may affect the system’s properties at the macroscopic scale. A concrete example highlighted in this work is the analysis of nanoparticle interactions with sizes of up to 100 nm in diameter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The impact of new d(p,γ)3 rates on Big Bang Nucleosynthesis

We consider the effect on Big Bang Nucleosynthesis (BBN) of new measurements of the d(p,γ) 3 He cross section by the LUNA Collaboration. These have an important effect on the primordial abundance of D/H which is also sensitive to the baryon density at the time of BBN. We have re-evaluated the thermal rate for this reaction, using a world average of cross section data, which we describe with model-independent polynomials; our results are in good agreement with a similar analysis by LUNA. We then perform a full likelihood analysis combining BBN and Planck cosmic microwave background (CMB) likelihood chains using the new rate combined with previous measurements and compare with the results using previous rates. Concordance between BBN and CMB measurements of the anisotropy spectrum using the old rates was excellent. The predicted deuterium abundance at the Planck value of the baryon density was (D/H) BBN+CMB old = (2.57 ± 0.13) × 10 –5 which can be compared with the value determined from quasar absorption systems (D/H) obs = (2.55 ± 0.03) × 10 –5 . Using the new rates we find (D/H) BBN+CMB = (2.51 ± 0.11) × 10 –5 . We thus find consistency among BBN theory, deuterium and 4He observations, and the CMB, when using reaction rates fit in our data-driven approach. We also find that the new reaction data tightens the constraints on the number of relativistic degrees of freedom during BBN, giving the effective number of light neutrino species N ν = 2.880 ± 0.144 in good agreement with the Standard Model of particle physics. Lastly, we note that the observed deuterium abundance continues to be more precise than the BBN+CMB prediction, whose error budget is now dominated by d(d,n) 3 He and d(d,p) 3 H.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

An Alternative Timing and Synchronization Approach for Situational Awareness and Predictive Analytics

Accurate and synchronized timing information is required by power system operators for controlling the grid infrastructure (relays, Phasor Measurement Units (PMUs), etc.) and determining asset positions. Satellite-based global positioning system (GPS) is the primary source of timing information. However, GPS disruptions today (both intentional and unintentional) can significantly compromise the reliability and security of our electric grids. A robust alternate source for accurate timing is critical to serve both as a deterrent against malicious attacks and as a redundant system in enhancing the resilience against extreme events that could disrupt the GPS network. To achieve this, we rely on the highly accurate, terrestrial atomic clock-based network for alternative timing and synchronization. In this paper, we discuss an experimental setup for an alternative timing approach. The data obtained from this experimental setup is continuously monitored and analyzed using various time deviation metrics. We also use these metrics to compute deviations of our clock with respect to the National Institute of Standards and Technologys (NIST) GPS data. The results obtained from these metric computations are elaborately discussed. Finally, we discuss the integration of the procedures involved, like real-time data ingestion, metric computation, and result visualization, in a novel microservices-based architecture for situational awareness.

Chinthavali, Supriya↗
DOE OSTI2025

Intelligent Manufacturing Support: Specialized LLMs for Composite Material Processing and Equipment Operation

Engineering educational curriculum and standards cover many material and manufacturing options. However, engineers and designers are often unfamiliar with certain composite materials or manufacturing techniques. Large language models (LLMs) could potentially bridge the gap. Their capacity to store and retrieve data from large databases provides them with a breadth of knowledge across disciplines. However, their generalized knowledge base can lack targeted, industry-specific knowledge. To this end, we present two LLM-based applications based on the GPT-4 architecture: (1) The Composites Guide: a system that provides expert knowledge on composites material and connects users with research and industry professionals who can provide additional support and (2) The Equipment Assistant: a system that provides guidance for manufacturing tool operation and material characterization. By combining the knowledge of general AI models with industry-specific knowledge, both applications are intended to provide more meaningful information for engineers. In this paper, we discuss the development of the applications and evaluate it through a benchmark and two informal user studies. The benchmark analysis uses the Rouge and Bertscore metrics to evaluate our models’ performance against GPT-4o. The results show that GPT-4o and the proposed models perform similarly or better on the ROUGE and BERTScore metrics. The two user studies supplement this quantitative evaluation by asking experts to provide qualitative and open-ended feedback about our model’s performance on a set of domain-specific questions. The results of both studies highlight a potential for more detailed and specific responses with the Composites Guide and the Equipment Assistant.

Kapoor, Gunnika [Oak Ridge National Laboratory (OR↗
DOE OSTI2026

Data from: "Reply to ‘The challenge of defining effectively-no-snow’"

This repository contains the data and code associated with the paper titled "Reply to ‘The challenge of defining effectively-no-snow’" published in Nature Reviews Earth and Environment, 2026. In this reply, we argue that the 10th percentile of peak SWE (Snow Water Equivalent), which we propose in the original article, can be used as intended given it's a standardized, impact-based benchmark for comparing snow conditions across regions, not as a literal measure of snow absence. We present new evidence with SNOwpack TELemetry (SNOTEL) data showing that years meeting the threshold are overwhelmingly associated with subsequent drought (given United States Drought Monitor conditions), supporting its hydrologic and societal relevance. We conclude that while the distinction between "effectively no snow" and "zero snow" should be clearly communicated, the original definition remains appropriate for assessing impacts on snow-dependent water systems. The file code_nree_ML_reply_2026.Rmd contains the main processing scripts which analyze the SNOTEL data. Data from the US Drought Monitor was downloaded at: https://usdmdataservices using the Get Drought Severity Statistics By Area Percent' option, saved to the *_HUC4_delineated.csv files (Hydrologic Unit Code), which are labeled accordingly. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SNOW/ICE↗
DOE OSTI2020

System-Independent X-Ray Characterization

We have developed a method for image reconstruction and analysis of dual-energy X-ray scans that has been demonstrated to yield a physically intuitive characterization of materials (by electron density and effective atomic number) in a system-independent way. Our methodology stands in contrast to common practice of reconstructing images to yield linear attenuation coefficients, which depend strongly on system spectral response. At the core of our method, a technique called dual-energy decomposition is used to generate spectral energy-independent characterizations of the attenuation properties of a material. Inputs to this decomposition include system spectral response estimates and dual-energy X-ray projection data. X-ray cross-section tables are used to convert decomposition results to physical feature estimates (electron density, effective atomic number). Our method currently works best for materials with atomic numbers below 22 (titanium). In prior work for DHS, we demonstrated in a controlled, no-clutter environment that the decomposition technique could be applied to scans of a well-characterized materials on multiple systems with different X-ray spectral responses. In cases where LAC values showed a standard deviation of as much as 20% of mean value, application of our method yielded results with standard deviations as low as 1–3% of mean value.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A Data Science and Machine Learning Platform Supporting Large Particle Accelerator Control and Diagnostics Applications Final Report: SBIR Initial Phase II DE-SC0022583

The Machine Learning Data Platform (MLDP) is a product providing full-stack support for data science, Machine Learning, and Artificial Intelligence (ML/AI) applications at particle accelerator and large experimental physics facilities. It supports ML/AI applications from front-end, high-speed acquisition of heterogeneous, time-series data, through data archiving and management, to back-end analysis. The MLDP embodies a “data-science ready” platform for data analysis and ML/AI applications in diagnosis, modelling, control, and optimization of these facilities. It provides data scientists and applications a consistent, datacentric interface to archive data standardizing implementation and deployment of ML/AI algorithms to different operations configurations within the same facility, or between facilities. Being an open-source, public-domain project, the MLDP is intended for broadest possible impact by increasing accessibility and minimizing the required expertise for installation and operation. The MLDP can also be deployed at user facilities for experimental data collection, archiving, and analysis. It is capable of acquisition and archiving of heterogeneous data from experimental equipment (e.g., images, arrays, structures, etc.) along with system hardware configurations (e.g., scalars, tables), control system process variables, and any metadata required for provenance. Thus, the MLDP can manage experimental data through its entire lifecycle, from acquisition and archiving, through analysis and investigation, to release and final publication.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Transformer Health Monitoring Using Dissolved Gas Analysis

As integral components of any power plant, transformers supply the generated electricity to the grid. However, a transformer’s cellulose-based paper insulation and the mineral oil in which it is immersed break down over time under standard operating conditions—or more rapidly due to potential faults within the system. As the transformer’s mineral oil breaks down, gases are released that can be measured and monitored. This technical brief exhibits a collection of diagnostic and prognostic techniques that utilities can adopt in lieu of labor-intensive periodic preventive maintenance routines. Furthermore, prognostic models have been incorporated using the latest version of the Institute of Electrical and Electronics Engineers (IEEE) standard (IEEE, 2019) for dissolved gas analysis (DGA), thus expanding it to include estimation of the time to maintenance. Overall, four different methodologies are explained, each of which aids in determining a transformer’s state of health. These methodologies include the Chendong model, the IEEE thermal life consumption model (IEEE, 2012), a diagnostic model for DGA, and a prognostic model for DGA that uses an autoregressive integrated moving average (ARIMA) model. An additional improvement for estimating missing system parameters by using monitoring data (i.e., a tool for parameter estimation utilizing Powell’s method) is presented, enabling the IEEE thermal life consumption model to benefit not only the collaborating power plant, but also the power industry at large.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Evidence for Higgs boson decays to a low-mass dilepton system and a photon in pp collisions at $\sqrt{s}$ =13 TeV with the ATLAS detector

A search for the Higgs boson decaying into a photon and a pair of electrons or muons with an invariant mass mℓℓ < 30 GeV is presented. The analysis is performed using 139 fb -1 of proton–proton collision data, produced by the LHC at a centre-of-mass energy of 13 TeV and collected by the ATLAS experiment. Evidence for the H → ℓℓγ process is found with a significance of 3.2 over the background-only hypothesis, compared to an expected significance of 2.1 for the Standard Model prediction. The best-fit value of the signal-strength parameter, defined as the ratio of the observed signal yield to the one expected in the Standard Model, is μ=1.5±0.5. The Higgs boson production cross-section times the H → ℓℓγ branching ratio for mℓℓ < 30 GeV is determined to be $8.7_{-2.7}^{+2.8}$ fb.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Using non-invasive MEMS pressure sensors for measuring building envelope air leakage

Micro-electromechanical systems (MEMS)-based sensors have seen significant improvements in accuracy and cost over the past several years, and due to the need for altitude sensing in unmanned aerial vehicles and wearable technologies, absolute pressure sensors have shown the most dramatic improvements. This paper investigates applications of MEMS sensors in commercial buildings, including pairing two absolute pressure sensors to determine differential pressures between different locations in and around buildings. Differential pressure measurements are commonly made in commercial buildings for a number of applications, including static pressure measurements for variable-speed supply fan control, air balancing in hospitals, and for envelope and duct air leakage testing. This paper focuses specifically on envelope air-leakage testing applications of these sensors. The use of continuous pressure measurements in addition to one-time non-intrusive outdoor airflow measurements of rooftop packaged units is investigated. A comparison with standardized leakage testing indicated that continuous measurements with MEMS pressure-sensors were able to estimate envelope leakage to within 3–16% of the standardized test result. In addition, the magnitude and stability of differential pressure differences that can be resolved with absolute pressure sensors are also investigated in the laboratory and the field. Results show that the sensors can be effectively used for pressures seen in low rise buildings with rooftop units.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Evidence for the charge asymmetry in $pp$ → $t\bar{t}$ production at $\sqrt{s}$ = 13 TeV with the ATLAS detector

Inclusive and differential measurements of the top–antitop ($t\bar{t}$) charge asymmetry ${A}_{C}^{t\bar{t}}$ and the leptonic asymmetry ${A}_{C}^{\ell\bar{\ell}}$ are presented in proton–proton collisions at $\sqrt{s}$ = 13 TeV recorded by the ATLAS experiment at the CERN Large Hadron Collider. The measurement uses the complete Run 2 dataset, corresponding to an integrated luminosity of 139 fb –1 , combines data in the single-lepton and dilepton channels, and employs reconstruction techniques adapted to both the resolved and boosted topologies. A Bayesian unfolding procedure is performed to correct for detector resolution and acceptance effects. The combined inclusive $t\bar{t}$ charge asymmetry is measured to be ${A}_{C}^{t\bar{t}}$ = 0.0068 ± 0.0015, which differs from zero by 4.7 standard deviations. Differential measurements are performed as a function of the invariant mass, transverse momentum and longitudinal boost of the $t\bar{t}$ system. Both the inclusive and differential measurements are found to be compatible with the Standard Model predictions, at next-to-next-to-leading order in quantum chromodynamics perturbation theory with next-to-leading-order electroweak corrections. The measurements are interpreted in the framework of the Standard Model effective field theory, placing competitive bounds on several Wilson coefficients.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A guideline to document occupant behavior models for advanced building controls

The availability of computational power, and a wealth of data from sensors have boosted the development of model-based predictive control for smart and effective control of advanced buildings in the last decade. More recently occupant-behavior models have been developed for including people in the building control loops. However, while important objectives of scientific research are reproducibility and replicability of results, not all information is available from published documents. Therefore, the aim of this paper is to propose a guideline for a thorough and standardized occupant-behavior model documentation. For that purpose, the literature screening for the existing occupant behavior models in building control was conducted, and the occupant behavior modeling processes were studied to extract practices and gaps for each of the following phases: problem statement, data collection, and preprocessing, model development, model evaluation, and model implementation. Here, the literature screening pointed out that the current state-of-the-art on model documentation shows little unification, which poses a particular burden for the model application and replication in field studies. In addition to the standardized model documentation, this work presented a model-evaluation schema that enabled benchmarking of different models in field settings as well as the recommendations on how OB models are integrated with the building system.

Building control↗
DOE OSTI2024

Long-Term Statistical Process Monitoring of an Ultrafiltration Water Treatment Process

As water treatment technology has improved, the amount of available process data has substantially increased, making real-time, data-driven fault detection a reality. One shortcoming of the fault detection literature is that methods are usually evaluated by comparing their performance on hand-picked, short-term case studies, which yields no insight into long-term performance. In this work, we first evaluate multiple statistical and machine learning approaches for detrending process data. Then, we evaluate the performance of a PCA-based fault detection approach, applied to the detrended data, to monitor influent water quality, filtrate quality, and membrane fouling of an ultrafiltration membrane system for indirect potable reuse. Based on two short case studies, the adaptive lasso detrending method is selected, and the performance of the multivariate approach is evaluated over more than a year. The method is tested for different sets of three critical tuning parameters, and we find that for long-term, autonomous monitoring to be successful, these parameters should be carefully evaluated. However, in comparison with industry standards of simpler, univariate monitoring or daily pressure decay tests, multivariate monitoring produces substantial benefits in long-term testing.

ammonia↗
DOE OSTI2023

An open-source framework for simulation-based testing of buildings control strategies

Here this paper presents a simulation framework for evaluating building control strategies (BCSs), developed with VOLTTRON, an opensource platform that integrates data, devices, and systems for sensing and control applications, and is based on co-simulation interfaces. It realizes an integrated environment for both testing and deploying BCSs, thereby eliminating the need for having a dedicated implementation of BCS for testing. For the first time, this framework provides critical functionalities, including scalable communication management and time-drive simulation advance, i.e., advancing the simulation based on clock time. We applied this framework to evaluating two BCSs from ASHRAE Guideline 36-2008 and ASHRAE Standard 90.1-2019. The evaluation results show that those BCSs primarily benefit the heating operation by reducing gas usage but yield insignificant savings in electricity consumption. The results also emphasize the importance of tuning the parameters of the BCSs to achieve better performances.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Discrete generative diffusion models without stochastic differential equations: A tensor network approach

Diffusion models (DMs) are a class of generative machine learning methods that sample a target distribution by transforming samples of a trivial (often Gaussian) distribution using a learned stochastic differential equation. In standard DMs, this is done by learning a “score function” that reverses the effect of adding diffusive noise to the distribution of interest. Here we consider the generalisation of DMs to lattice systems with discrete degrees of freedom, and where noise is added via Markov chain jump dynamics. We show how to use tensor networks (TNs) to efficiently define and sample such “discrete diffusion models” (DDMs) without explicitly having to solve a stochastic differential equation. We show the following: (i) by parametrising the data and evolution operators as TNs, the denoising dynamics can be represented exactly; (ii) the auto-regressive nature of TNs allows to generate samples efficiently and without bias; (iii) for sampling Boltzmann-like distributions, TNs allow to construct an efficient learning scheme that integrates well with Monte Carlo. We illustrate this approach to study the equilibrium of two models with non-trivial thermodynamics, the d = 1 constrained Fredkin chain and the d = 2 Ising model. Published by the American Physical Society 2025

Causer, Luke (ORCID:0000000194243473)↗
DOE OSTI2025

Grid Resiliency with a 100% Renewable Microgrid

San Diego Gas & Electric Company (SDG&E) installed America’s first and largest utility-scale microgrid in Borrego Springs in 2013. The first generation Borrego Springs Microgrid utilized diesel generators to form and stabilize the microgrid island, with support from grid-scale batteries and local solar photovoltaic (PV) generation. In this project, SDG&E in partnership with National Renewable Energy Laboratory (NREL) demonstrated through modeling, simulation and utility field testing that blackstart and islanding of the microgrid can be led with 100% renewable, inverter based resources (IBRs), to help reduce community reliance on conventional generation resources. Through equipment upgrades, grid-forming island leader capability was transitioned to a battery IBR instead of the Borrego Springs Microgrid diesel generators. A new microgrid controller was integrated to the microgrid and programmed to control and manage multiple energy storage systems. Synchrophasor and other power quality data verified autonomous, high-speed response of the IBRs through blackstart, islanding, and load step testing. Results of project field evaluations provide distribution systems operators (DSO) with increased confidence that renewable, IBR can replace traditional generators to blackstart and island microgrids and rapidly establish stable island frequency with rapid changes in peak power demand. Importantly, the project validated the integration feasibility of a distributed energy resource management system (DERMS) controller that manages multiple grid-forming and grid-following IBRs, establishing a standard design interface to reduce the complexity of integrating new DERs in the future and supporting replication by the industry. As a result of learnings in this project, SDG&E has implemented the microgrid controller strategy at multiple other microgrid sites, thereby validating the replicability of the solution. Hardware-in-the-loop (HIL) simulations including power and controller HIL hardware — along with electromagnetic transient (EMT) simulations of Borrego Springs Microgrid —informed adjustments to inverter parameters and were important to characterize the performance of the IBRs in relevant operating conditions before deployment. The EMT and HIL simulations of islanding the entire community are important contributions in providing confidence in IBR performance prior to future islanding of the community in the field. High-fidelity EMT and/or HIL simulation of IBRs can de-risk field operations, and its relevance and importance as a tool is increasing as distribution grids and microgrids become more complex and dynamic with an increasing proportion of renewable generation, distributed energy storage, and two-way power and energy flows.

24 POWER TRANSMISSION AND DISTRIBUTION↗