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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Designing Antifouling and Antimicrobial Interfaces: Structural Characterization using CryoEM, Automated Microscopy, and AI Image Segmentation

The design of functionalized surfaces for interactions with biological systems is critical across sectors such as healthcare, energy, and agriculture. Tailoring materials for specific applications, such as antifouling and antimicrobial surfaces, demands a comprehensive understanding of topology and chemistry across multiple length and time scales on both biological and materials systems. This work presents the development and characterization of nanostructured surfaces with controlled topographies and chemistries that enhance bacterial membrane disruption, reduce biofilm formation, and improve antimicrobial and antifouling capabilities. Two specific use cases will be presented - the use of cellulose nanocrystals (CNCs) for bacterial growth inhibition and the development of antifouling surfaces to prevent protein and bacterial adsorption [1-4]. By leveraging large language models (LLMs) for image segmentation and training [5], we enable automated analysis of terabyte-scale cryogenic electron microscopy (cryoEM) datasets. This analysis provides statistical insights into the biotic/abiotic interface and facilitates automated electron microscopy experiments to mitigate time and dose. The integration of cryogenic electron tomography (cryoET) and cryogenic focused ion beam (cryoFIB) milling enables high-resolution, near-native-state imaging and 3D reconstructions of bio/material interfaces [6]. Orthogonal characterization techniques and computational modeling further enhances our understanding, offering a robust platform for the design and optimization of next-generation functional surfaces [7].

Williams, Alexis [ORNL] (ORCID:0000000252835822)↗
DOE OSTI2023

Investigation of Nanoparticle Degradation in Hydrogen Fuel Cell Systems through Automated Electron Microscopy

Proton exchange membrane fuel cells (PEMFC) are promising devices for the deployment of hydrogen-powered heavy-duty vehicles, providing a higher efficiency for similar driving range and fueling time than the existing ones. However, PEMFCs still encounter durability challenges mainly due to catalyst degradation in the cathode. Mitigating these performance losses requires a better understanding of the degradation mechanisms under heavy-duty accelerated stress tests (ASTs) [1]. Scanning transmission electron microscopy (STEM) combined with energy dispersive X-ray spectroscopy (EDS) are key tools for the analysis of Pt and PtCo nanoparticle size, spatial distribution and composition [2]. Electron tomography is also used to determine the rate and type of degradation of catalyst nanoparticles as a function of their position on the carbon support. In this work, automated data acquisition software, paired with a custom Python code, have been used to study the effect of different accelerated stress tests (ASTs) on nanoparticle coarsening [2]. Figure 1 shows high-angle annular dark-field (HAADF)-STEM images and EDS maps comparing the cathodes of membrane electrode assemblies (MEAs) following an electrocatalyst AST performed under H2/N2 with that of the heavy-duty AST performed under H2/air. We will discuss how AST conditions affect considerably the spatial distribution of the nanoparticles across the electrode between the membrane and microporous layer. Although the median particle size increased more in the MEA aged under the heavy-duty AST, as determined using a high-throughput image analysis, the quantitative EDS measurements demonstrate that the electrocatalyst AST resulted in more Pt and Co dissolution from the cathode, which is another important indicator of electrocatalyst degradation. We will further present the impact of the relative humidity (% RH) on the degradation mechanisms demonstrated using the same approach. Electron tomography has been used to distinguish the Pt nanoparticles residing on the carbon support surface (exterior) from those within the pore structure (interior) in order to determine the relative stability of interior and exterior nanoparticles. As shown in Figure 2, we will compare the Pt catalyst particle size at the beginning of test (BOT) and end of test (EOT), and discuss the importance of automating the electron tomography workflow, i.e. acquisition, reconstruction, and visualization, to increase sampling and determine the standard deviation of these measurement. The outlook for utilizing low-dose cryo-tomography for limiting damage to the catalyst, support, and especially proton-conducting ionomer will also be discussed [3].

Amichi, Lynda↗
DOE OSTI2022

STRIDES: automated uniform models for 30 quadruply imaged quasars

ABSTRACT Gravitational time delays provide a powerful one-step measurement of H0, independent of all other probes. One key ingredient in time-delay cosmography are high-accuracy lens models. Those are currently expensive to obtain, both, in terms of computing and investigator time (105–106 CPU hours and ∼0.5–1 yr, respectively). Major improvements in modelling speed are therefore necessary to exploit the large number of lenses that are forecast to be discovered over the current decade. In order to bypass this roadblock, we develop an automated modelling pipeline and apply it to a sample of 31 lens systems, observed by the Hubble Space Telescope in multiple bands. Our automated pipeline can derive models for 30/31 lenses with few hours of human time and <100 CPU hours of computing time for a typical system. For each lens, we provide measurements of key parameters and predictions of magnification as well as time delays for the multiple images. We characterize the cosmography-readiness of our models using the stability of differences in the Fermat potential (proportional to time delay) with respect to modelling choices. We find that for 10/30 lenses, our models are cosmography or nearly cosmography grade (<3 per cent and 3–5 per cent variations). For 6/30 lenses, the models are close to cosmography grade (5–10 per cent). These results utilize informative priors and will need to be confirmed by further analysis. However, they are also likely to improve by extending the pipeline modelling sequence and options. In conclusion, we show that uniform cosmography grade modelling of large strong lens samples is within reach.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Preliminary Experiences with the Rexon UL-320-FDR: An Automated Thermoluminescent Dosimeter Reader with Removable Contact Heating Planchets and an Infrared Temperature Feedback System

The Rexon UL-320 FDR is a novel resistive-heating thermoluminescent dosimeter reader with a unique temperature measurement system and an automated dosimeter processing mechanism. The removable contact heating planchets have black-body adhesives on the back for capturing temperature information with infrared sensors. A heating cycle feedback loop ensures accurate, precise, and reproducible heating sequences. Heating rates between 0.8 and 40°C s -1 for up to 1,000 s are possible. Photomultiplier tube sensitivity and drift, dark current counts, and planchet glow were measured experimentally. Additionally, 25 LiF:Mg,Ti dosimeters were calibrated to demonstrate reader performance. Sensitivity was optimized at 1,200 V, which produced the highest reference light count to dark current count ratio while extending photomultiplier tube life. Dark current counts measured with typical time-temperature profiles for LiF:Mg,Ti were below 10 counts per channel but increased by up to 2.5% for more extreme heating cycles. Reader sensitivity drifts of up to 10% were observed during extended automated operations with typical time-temperature profiles. Total counts resulting from planchet glow decreased with faster heating rates. Calibrations performed with LiF:Mg,Ti dosimeters yielded results comparable to more established reader designs. Spikes were observed in ~3% of the glow curves from planchet dust and oil burning off at elevated temperatures. The use of N 2 gas and sensitivity drift corrections are recommended to improve dosimetry performance for the UL-320 FDR reader.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Implementation of Stochastic Gradient Descent in an Automated Glow Peak Identification Software for Multiple Thermoluminescent Dosimeter Types

A glow-curve analysis code was previously developed in C++ to analyze thermoluminescent dosimeter glow curves using automated peak detection while applying a first-order kinetics model. A newer version of this code was implemented to improve the automated peak detection and curve fitting models. The Stochastic Gradient Descent Algorithm was introduced to replace the prior approach of taking first and second-order derivatives for peak detection. Additionally, early stopping mechanisms were invoked to improve the previously used Levenberg-Marquardt Algorithm employed for curve fitting. The two software versions were compared through glow curve analysis of different thermoluminescent dosimeter materials and calculation of the corresponding figures of merit. Altogether improvements were shown, namely an increase in the number of peaks detected and a reduction of the mean figure of merit by approximately 46%.

137Cs↗
DOE OSTI2020

Automated label flows for excited states of correlation functions in lattice gauge theory

Extracting excited states from lattice gauge theory correlation functions can be achieved through $χ^2$ minimization fits or algebraic approaches such as the variational method and Prony's method. Performing any kind of error analysis often leads to overlapping confidence regions of model parameters, even when the spectrum is not particularly dense. To correctly estimate errors, one must beware of mislabeling the states. In this work, we provide an algorithm that we call automated label flows which consistently and systematically identifies a deterministic labeling of states. This is a black-box approach in the sense that it gives a sensible set of labels without user guidance. Further, as an example, we pair one black box method with another, analyzing a lattice correlation function from real data using automated label flows in the context of Prony's method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

pathSQE : an automated workflow for single-crystal inelastic neutron scattering data processing and analysis

Inelastic neutron scattering (INS) experiments utilizing modern time-of-flight spectrometers enable the comprehensive mapping of the energy (E)- and momentum (Q)-resolved dynamical structure factor of single crystals, probing both the lattice and magnetic excitations. Yet, the large size and complexity of four-dimensional INS data are challenging current analysis workflows, often resulting in an underutilization of the measured information. To help address this issue, this paper introduces new software interfaced with the Mantid framework, pathSQE, designed to streamline the processing, analysis and interpretation of 4D single-crystal INS data. By automating key tasks such as 1D/2D slicing, symmetrization, Brillouin zone folding, data visualization, prioritization and filtering, and comparisons with simulations, pathSQE facilitates and accelerates INS data analysis workflows. Here, this paper outlines the features and implementation and provides several illustrations of the use of pathSQE on data collected on single crystals using direct-geometry time-of-flight spectrometers at the Spallation Neutron Source, including Ge, FeSi, MnO and SnS single-crystal measurements on the ARCS, HYSPEC and CNCS neutron spectrometers. Beyond streamlining post-experiment data processing, pathSQE establishes an automated and modular processing pipeline that could support future real-time experiment steering.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An automated approach to the alignment of compound refractive lenses

Compound refractive lenses (CRLs) are established X-ray focusing optics, and are used to focus the beam or image the sample in many beamlines at X-ray facilities. While CRLs are quite established, the stack of single lens elements affords a very small numerical aperture because of the thick lens profile, making them far more difficult to align than classical optical lenses that obey the thin-lens approximation. This means that the alignment must be very precise and is highly sensitive to changes to the incident beam, often requiring regular readjustments. Some groups circumvent the full realignment procedure by using engineering controls ( e.g. mounting optics) that sacrifice some of the beam's focusing precision, i.e. spot size, or resolution. While these choices minimize setup time, there are clear disadvantages. This work presents a new automated approach to align CRLs using a simple alignment apparatus that is easy to adapt and install at different types of X-ray experiments or facilities. This approach builds on recent CRL modeling efforts, using an approach based on the Stochastic Nelder–Mead (SNM) simplex method. This method is outlined and its efficacy is demonstrated with numerical simulation that is tested in real experiments conducted at the Advanced Photon Source to confirm its performance with a synchrotron beam. This work provides an opportunity to automate key instrumentation at X-ray facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Automated Framework for Groundwater Monitoring Using DWT with LSTM and Transformers

Environmental monitoring is critical for safeguarding public health and ecological well-being. Traditional data structuring and workflow monitoring methods consume significant time and effort, hindering timely insights and effective decision-making. Our study addresses this challenge by presenting an AI framework that automates data cleaning, structuring, and modeling processes, specifically targeting applications in groundwater monitoring. By leveraging automation for data processing and model training, our framework establishes a novel and efficient paradigm for environmental monitoring, with its potential application to the vast network of over a hundred Department of Energy Environmental Management (DoE-EM) cleanup sites across the country. It analyzes data streams from a network of groundwater Internet-of-Things (IoT) sensors deployed at the Savannah River Site (SRS) for prediction modeling. This allows human experts to focus on analysis and decision-making, ultimately leading to better environmental outcomes.The framework employs multivariate time-series forecasting methods to study and model the behavior of varying chemical analytes. The continuous learning process is enabled by utilizing deep learning techniques. It allows the framework to become more nuanced in its analysis over time, adapting to the specific characteristics of the environmental site and the evolving nature of contaminant behavior. Deep learning models known for sequence modeling, LSTM, and Transformers are employed for time series forecasting. Data processing and structuring are essential components significantly impacting the final model's performance. This hypothesis was proven by presenting a comparative analysis of model performance with processed and unprocessed data. The feature engineering approach utilized was the Discrete Wavelet Transform, which works well with time series data.

Discrete Wavelet Transform (DWT)↗
DOE OSTI2026

Design of Controller Hardware-In-the-Loop Model of Microgrid with Modular Building Blocks and Automated Design Script

The scalability of controller hardware-in-the-loop (CHIL) simulation is critical for validating control coordination and energy management in microgrids with distributed energy resources, especially as these modern systems become more complex and decentralized. This paper presents a CHIL modeling methodology that combines modular building blocks with an automated design script to streamline the development of high-fidelity microgrid models. Standardized subsystem templates for resources, converters, and buses are integrated with a Python-based script that compiles structured JSON configuration files into simulation-ready initialization code. The proposed approach reduces development time, improves model consistency, and enhances simulation fidelity. The methodology is validated on a Typhoon HIL604 platform and is broadly applicable to real-time simulation of complex, networked microgrid systems. This framework establishes a foundation for automated, scalable CHIL validation and accelerates the design of next-generation distributed energy systems.

Kim, Namwon [ORNL] (ORCID:0000000200438489)↗
DOE OSTI2023

Automated Controller Hardware-In-The-Loop Testbed for EV Charger Resilience Analysis

This paper focuses on the development of a tool that includes an automated testbed with controls, protection, and communications integrated into a real-time system to provide a platform to generate data sets for failure modes and effects analysis. This tool establishes a value for automation of data generation for different scenarios and addresses the gap of nonexistent field data for different applications and use cases. The features of this tool can further be expanded to include multiple power electronics models, communication protocols, and scaled system architectures. This general framework was evaluated for a DC fast charger system use case to provide quantitative solution for resiliency.

Starke, Michael↗
DOE OSTI2021

Assessing the Implications of Automated Merging Control in a Mixed and Heterogeneous Traffic Environment

Previous efforts to explore the implications of partial market penetration of connected and automated vehicles (CAVs) show a consensus on the benefits of higher market penetration rates (MPR) of vehicles enabled with connectivity and/or automation. There is, however, a level of uncertainty regarding the effects of lower market penetration rates and the consideration of heterogeneous vehicle fleets. Using VISSIM to perform microscopic traffic simulation and, vehicle simulation models, we assess the impacts of different CAVs market penetration rates on fuel consumption considering a heterogeneous traffic environment. The results show that the fuel efficiency benefits of optimal coordination control are maximized in moderate congested scenarios when the CAVs MPR exceeds 40%.

Rios Torres, Jackeline↗
DOE OSTI2020

The Application of Coordination to Magnetic Measurement Automation: An SSW System Example

Magnetic measurements are an integral part of the development cycle of accelerator magnets, a part which provides necessary feedback to drive design and manufacturing improvements and corrections. Automation of these measurements allows for reduction of human errors and reproducibility of measurements. Realization of automation via coordination that is separated at the architectural level from the functional code provides flexibility in defining measurement procedures and substantial extensibility. The described Single Stretched Wire (SSW) system herein is an implementation of such a solution with the use of a component-based framework designed to build a family of measurement systems.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Planning Optimization for Inductively Charged On-demand Automated Electric Shuttles Project at Greenville, South Carolina

Wireless charging technology presents an ideal fit for autonomous electric vehicles for realizing a fully automated system (vehicle and charger). This paper presents a planning optimization analysis for a pilot project of in-route wireless charging infrastructure serving fixed-route on-demand shared automated electric shuttles (SAESs) at Greenville, South Carolina, USA. A single-objective non-linear mixed integer system planning optimization problem is formulated. A comprehensive cost model representing the overall inductively charged SAESs system is developed, considering road construction, power electronics and materials, traction battery, and installation costs. The optimization problem is solved to determine the best combination of the system key design parameters (number and allocations of wireless chargers, charging power level, track length and on-board battery capacity) that show the most cost-effective solution and allow the SAESs to achieve charge-sustaining operation. The planning platform incorporates representative simulated traffic data (driving speed and routes) for four SAESs in the Greenville using the Simulation of Urban Mobility tool. These data are fed to a vehicle powertrain model and a wireless charger power model to predict the battery power, energy and state-of-charge profiles, which are provided to the search algorithm to assess the design objectives under specific constraints. Finally, the results indicate that implementing high-power (100 kW) wireless charger at a few designated stops for fixed-route SAESs with the proper track length allows the vehicles to realize charge-sustaining operation, infinite range, and zero recharge downtime, with a significant reduction in the on-board battery (36%) and road coverage (69%), at minimum cost.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Automated Control of Transactive HVACs in Energy Distribution Systems

Heating, Ventilation, and Air Conditioning (HVAC) systems contribute significantly to a building’s energy consumption. In the recent years, there is an increased interest in developing transactive approaches which could enable automated and flexible scheduling of HVAC systems based on the customer demand and the electricity prices decided by the suppliers. Flexible and automated scheduling of the HVAC systems make it a prime source for participation in residential demand response or transactive energy systems. Therefore, it is of significant interest to identify an optimal strategy to control the HVAC systems. Here, reducing the energy cost while keeping the comfort level acceptable to the users, we argue that such a control strategy should consider both the energy cost and user comfort simultaneously. Accordingly, we develop the control strategy through the solution of an optimization problem that balances between the energy cost and consumer’s dissatisfaction. This optimization enables us to solve a decision-making problem through first price prediction and then choosing HVAC temperature settings throughout the day based on the predicted price, history of the price and HVAC settings, and outside temperature. More specifically, we formulate the control design as a Markov decision process (MDP) using deep neural networks and use Deep Deterministic Policy Gradients (DDPG)-based deep reinforcement learning algorithm to find the optimal control strategy for HVAC systems that balances between electricity cost and user comfort.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Automating the interpretation of PM 2.5 time–resolved measurements using a data–driven approach

The rapid development of automated measurement equipment enables researchers to collect greater quantities of time-resolved data from indoor and outdoor environments. While significant, the interpretation of the resulting data can be a time-consuming effort. This paper introduces an automated process of interpreting PM 2.5 time-resolved data and differentiating PM 2.5 emissions resulting from indoor and outdoor sources. Here, we use Random Forest (RF), a machine learning approach, to study a dataset of 836 indoor emission events that occurred over a 2-week period in 18 apartments in California. In this paper, we show model development and evaluate its performance as the sample size and source vary. We discuss the characteristics of the dataset that tended to help the source identification and why. For example, we show that data from many events and from different apartments are essential for the model to be suitable for analyzing a new separate dataset. We also show that longitudinal data appear to be more helpful than the time frequency of measurements within a given apartment. We use the resulting RF model to analyze PM 2.5 data of an entirely separate dataset collected from 65 new homes in California. The RF model identifies 442 indoor emission events, with only a few misidentifications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

S AP F LOWER : an automated tool for sap flow data preprocessing, gap-filling, and analysis using deep learning

Sap flow, a critical process in plant water use and ecosystem water cycles, is often measured using thermal dissipation probes (TDP) due to their ease of installation and continuous data collection. However, sap flow data frequently include noise, outliers, and gaps, creating challenges for analysis and requiring substantial manual processing. We developed S AP F LOWER , a tool that automates data preprocessing, model training, gap-filling, sapwood area scaling and modeling, and water use analysis. It integrates autocleaning, machine learning and deep learning models (e.g. random forest, Gaussian process regression, long short-term memory (LSTM), bidirectional LSTM (BiLSTM)), and efficient workflows to process sap flow data. S AP F LOWER can remove over 90% of noisy data while preserving legitimate variations and achieve high accuracy in gap-filling based on user-determined parameters. Random forest, LSTM, and BiLSTM models reduced root mean square error to 10% or less for long-term gaps. Model training and prediction can be performed efficiently within seconds. S AP F LOWER significantly enhances the efficiency and accessibility of TDP data analysis by automating complex tasks, enabling researchers without programming expertise to employ advanced techniques. Future improvements will focus on species-specific corrections for TDP and support for additional measurement methods. S AP F LOWER is openly available on GitHub (https://github.com/JiaxinWang123/SapFlower) and Zenodo (doi: 10.5281/zenodo.13665919).

ecosystem water balance↗
DOE OSTI2025

Application of automated iterative target detection for standoff hyperspectral imaging

The utility of hyperspectral imaging (HSI) has been well established for a wide array of applications but has generated a need for automated screening of high volumes of large HSI cubes. We report two important automated algorithms for more efficient standoff processing: atmospheric correction and target detection. The atmospheric correction method is based on a fast asymmetric least squares approach that is applied on a pixel-by-pixel basis. Here, the correction can be applied to entire images without manually identifying regions of interest and utilizes only in-scene information, no ancillary modeling of the atmosphere is required. An iterative target detection approach is also introduced which demonstrates faster speeds relative to moving window approaches. The target detection algorithm classifies each pixel as true target detections, near target detections, clutter, and no-calls. The algorithms were tested on forty images of twenty-two solid mineral targets placed at a 14-meter standoff distance allowing general observations on expected detection performance for a variety of minerals. In addition to identifying anomalous pixels, the inclusion of “no-calls” reduced the number of false detections significantly.

47 OTHER INSTRUMENTATION↗