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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Model-Based Approaches to Generate Knowledge from Data in a Plant Reliability Context

One challenge that nuclear power plant system engineers are facing is that the amount of equipment reliability (ER) data being continuously generated are extremely large. These data elements come in different forms: textual (e.g., condition reports) and numeric (e.g., generated by monitoring systems) and they provide system engineers with valuable insights and information regarding the discovery of anomalous behaviors or degradation trends, the identification of the possible causes behind such behaviors and trends, and the prediction of their direct consequences. This paper directly targets the generation of knowledge from ER data by putting “data into context”. Here, we employ model-based system engineering (MBSE) models of systems and assets to represent and capture their architecture and functional (i.e., cause-effect) relations. ER data elements are processed by identifying first which elements of the developed MBSE elements they are referring to. This task is much harder for textual data since the information contained in issue or maintenance reports needs to “be understood” by a computational tool. Here we called this process “knowledge extraction” where our methods to extract knowledge from textual data. Lastly, once numeric and textual ER data elements have been processed and “understood”, we discover possible cause-effect relations among them. This is performed by observing if a logical connection through the MBSE models exists, and if there is a temporal relation among them. The logic and temporal are the two main ingredients to perform “machine reasoning” from ER data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Cyber-Informed Engineering (CIE) Integration into Model- Based Systems Engineering (MBSE)

Engineering design in the field of industrial engineering, such as designing automated factories or warehouses, is critical for the effective operation of facilities. Any design flaws introduced early can result in significant capital expenses to correct. However, early-stage engineering design is inherently complex. The systems are not yet built, requiring designers to integrate various aspects, including digital engineering and cybersecurity, to support virtual representations throughout the design process. In this study, we propose an approach to integrate Cyber-Informed Engineering (CIE) principles into model-based systems engineering (MBSE). This approach facilitates the development of a digital thread for engineering systems, ensuring secure digital artifacts in the design of industrial engineering systems.

42 - ENGINEERING↗
DOE OSTI2025

From Machine Learning to Machine Reasoning: A Model-based Approach to Analyze Equipment Reliability Data

In current nuclear power plants (NPPs) a large amount of condition-based data which can be used to assess and monitor component health and performance. Assessing component health from such data can be performed with a large variety of methods. While the analysis of numeric data can be performed with several methods, the extraction of information from textual data remains a challenge. Currently employed natural language processing (NLP) methods do not really provide quantitative information that might be contained in IRs. In addition, the integration of numeric and textual data to identify possible causal relationships between data elements is still an unresolved challenge. This paper presents an approach to extract information from textual (e.g., incident or maintenance reports) and numeric data that relies on model based system engineer (MBSE) models. MBSE are diagrams designed to represent system and component dependencies (from both a form and functional point of view). In our approach, MBSE models emulate system engineer knowledge about component/system architecture. NLP methods are employed to perform syntactic and semantic analyses. Syntactic analysis analyzes the grammatical structure of a sentence while semantic analysis is designed to analyze the logic structure of a sentence. An innovative element of our approach is that semantic analysis uses MBSE models to identify links between textual elements. Similarly, numeric data is directly linked to elements of the MBSE models in order to map which functions are being monitored.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Optimizing Batch Crystallization with Model-based Design of Experiments

Adaptive and self-optimizing intelligent systems such as digital twins are increasingly important in science and engineering. Digital twins utilize mathematical models to provide added precision to decision-making. However, physics-informed models are challenging to build, calibrate, and validate with existing data science methods. Model-based design of experiments (MBDoE) is a popular framework for optimizing data collection to maximize parameter precision in mathematical models and digital twins. In this work, we apply MBDoE, facilitated by the open-source package Pyomo.DoE, to train and validate mathematical models for batch crystallization. We quantitatively examined the estimability of the model parameters for experiments with different cooling rates. This analysis provides a quantitative explanation for the heuristic of using multiple experiments at different cooling rates.

Lynch, Hailey↗
DOE OSTI2024

Model-Based Detection of Coordinated Attacks (DCA) in Distribution Systems

The fast-paced growth in digitization of smart grid components enhances system observability and remote-control capabilities through efficient communication. However, enhanced connectivity results in heightened system vulnerability towards cybersecurity risks in the cyber-physical power system. Coordinated cyber-attacks (CCA), when undetected, lead to system-wide impact in terms of large disturbances or widespread outages. Detecting CCA in the cyber layer is critical to thwart cyber-attacks in real-time before the attack impacts the physical system. The challenge of locating CCA stems from the complex grid dynamics, making it difficult to distinguish between normal operational variations and cyber-attack impact. CCA often employs multiple attack vectors targeting geographically distributed components, further complicating CCA identification. Existing research in intrusion detection is primarily focused on the transmission network and limited to detecting individual attacks. In this paper, a novel proactive DCA strategy is proposed for early detection of CCA by establishing correlations among distinct attack events through model-based reinforcement learning that utilizes abductive reasoning to conclude the attacker goal. The solution includes understanding the system model, learning the system dynamics, and correlating individual cyber-attacks to extract the attacker’s objective. The developed learning algorithm identifies the most probable attack path to reach the attacker’s objective by predicting the next attack steps. A DNP3-based cyber-physical co-simulation testbed is developed to test the proposed algorithm using the IEEE 13-node test feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Inverse model based error detection in beamline optics

Optics tuning in transfer lines and LINACs can be challenging due to the fact that multiple combinations of machine settings can lead to the same diagnostic output. Moreover, the lack of a periodic solution can limit the ability to infer optics in the same way as rings from BPM signals. Model based approaches are often used to assist with the optics tuning in combination with optimization or parameter estimation. Here we have developed a novel approach using machine learning inverse models trained on a known configuration to detect variations in quadrupole settings without explicitly including them in the model. This paper shows a comparison of neural network models and linear models on both a simulation based study and experimental studies conducted at the AGS to RHIC transfer line at Brookhaven National Lab.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Model-based economic analysis under uncertainty for PFAS treatment by granular activated carbon and ion exchange technologies

Recent drinking water regulations have imposed the need for per- and polyfluoroalkyl substances (PFAS) remediation. In response, treatment facilities may be required to retrofit existing treatment schemes to treat PFAS below maximum contaminant levels (MCLs). Adsorption technologies such as granular activated carbon (GAC) and ion exchange (IX) have been demonstrated to be effective; however, there are limited techno-economic metrics available which provide guidance on technology selection and design for diverse PFAS-containing source water conditions. Process systems engineering (PSE) tools which can traditionally perform these analyses are hindered by the data availability, model validity, and understanding of treatment phenomena for emerging contaminants. This work employs published data regressions, statistical models, process models, techno-economic analyses, and other process systems tools in a model-based uncertainty framework to consider the limitations of emerging contaminant research. Through this analysis framework, economic results are provided as probabilistic distributions based on the uncertainty of the models and diverse conditions that treatment facilities experience.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Improving Text Classification with Large Language Model-Based Data Augmentation

Large Language Models (LLMs) such as ChatGPT possess advanced capabilities in understanding and generating text. These capabilities enable ChatGPT to create text based on specific instructions, which can serve as augmented data for text classification tasks. Previous studies have approached data augmentation (DA) by either rewriting the existing dataset with ChatGPT or generating entirely new data from scratch. However, it is unclear which method is better without comparing their effectiveness. This study investigates the application of both methods to two datasets: a general-topic dataset (Reuters news data) and a domain-specific dataset (Mitigation dataset). Our findings indicate that: 1. ChatGPT generated new data consistently enhanced model’s classification results for both datasets. 2. Generating new data generally outperforms rewriting existing data, though crafting the prompts carefully is crucial to extract the most valuable information from ChatGPT, particularly for domain-specific data. 3. The augmentation data size affects the effectiveness of DA; however, we observed a plateau after incorporating 10 samples. 4. Combining the rewritten sample with new generated sample can potentially further improve the model’s performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

AUTOMATIC GENERATION OF EVENT TREES AND FAULT TREES: A MODEL-BASED APPROACH

In the past few decades, increasing complexity in modern engineering systems has been driven by the integration of a large number of components and by the fact that the system operations involve many disciplines (e.g., thermal-hydraulics, plant operations, cyber-security). Current safety/reliability modeling approaches to such systems are labor intensive, difficult to learn, and rely heavily on simplistic Boolean logic to depict failure propagation and accident progression. While these methods serve well for simple systems (i.e., linear causal systems with limited small inter- and intra-system interactions), their results are difficult to verify when modeling complex systems (typically performed through the extensive use of modeling assumptions). The development of new methods is addressed to meet these challenges through a model-based system engineering (MBSE) lens. Under MBSE philosophy, every aspect of the system (form or function) is represented by a model that completely characterizes its architecture or behavior. MBSE approach greatly improves the management of design, analysis and verification of complex systems. An integration of Dynamic Probabilistic Risk Assessment (DPRA) methods with MBSE models is proposed to perform safety/reliability analyses of engineering systems. In particular, MBSE representation of the system (performed using Systems Modeling Language [SysML]) is coupled with DPRA methods to automatically generate event trees and fault trees.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2024

EV Forecasting-Based Model Predictive Control for Distribution System Congestion Mitigation

The uncoordinated charging of electric vehicles (EVs) in time and space brings congestion issues to the distribution network. This paper proposes an EV charging demand forecasting-based model predictive control (MPC) method for distribution system congestion management. To effectively forecast the time-series EV station charging demand, a hybrid forecasting model that integrates the long short-term memory network (LSTM) and Transformer is proposed. The Transformer-LSTM model is trained using a one-year real historical charging dataset of EV stations to forecast future charging demand in 15-minute intervals. This informs the MPC for distribution network congestion management and minimization of PV curtailment. Numerical results carried out on the modified IEEE 123-bus distribution system demonstrate that the proposed method can effectively resolve line congestion issues through EV smart charging and PV curtailment while outperforming other benchmarks.

ADVANCED PROPULSION SYSTEMS,SOLAR ENERGY↗
DOE OSTI2025

Assessment of Extinction‐, Satellite‐, and Model‐Based Vertical Cloud Condensation Nuclei (CCN) Retrieval Methods Using Airborne CCN Measurements Over the Southern Great Plains

Abstract Accurate estimates of the vertical profile of cloud condensation nuclei (CCN) concentration are crucial to better quantify aerosol‐cloud interactions. We assessed the correlation between the vertical CCN concentrations obtained from extinction‐, satellite‐, and model‐based retrieval methods and airborne CCN concentrations collected at 0.24% supersaturation within the 3, 9, 27, and 81 km regions centered over the U.S. Department of Energy's Atmospheric Radiation Measurement User Facility Southern Great Plains (SGP) site during the spring and summer of 2016. The extinction profiles at a wavelength 355 nm were provided by the ground‐based Raman lidar. Our analysis showed moderate correlation between dry‐corrected extinction and airborne CCN data. We found the retrieved number concentration of CCN (RNCCN) method showed regression best‐fit slopes close to unity and consistent prediction errors for the majority of the data. The Lenhardt et al. (2023, https://doi.org/10.5194/amt‐16‐2037‐2023 ) method showed similar conclusions but only during spring, whereas the Mamouri and Ansmann (2016, https://doi.org/10.5194/acp‐16‐5905‐2016 ) method showed poor correlation. The Shinozuka et al. (2015, https://doi.org/10.5194/acp‐15‐7585‐2015 ) satellite‐based method exhibited reasonable agreement during summer but poor correlation during periods where both high (∼1,400 #/cm 3 ) and low (∼50 #/cm 3 ) airborne CCN concentrations were observed. The Copernicus Atmosphere Monitoring Service reanalysis modeled 3‐D CCN data set showed a moderate to weak positive correlation but performed poorly at high airborne CCN concentrations. Our analysis suggests the extinction‐based RNCCN method performed better than other methods across most observation periods under the diverse meteorological conditions observed at the SGP site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Modeling based assessment of salt cavern performance for underground hydrogen storage

This poster is about the recent progress in my LDRD project of underground hydrogen storage in multiple salt caverns. The main progress of my work is to develop modeling-based workflow to evaluate the salt cavern performance and assess the potential of geomechanical risk for hydrogen storage.

Chang, Kyung Won [Sandia National Laboratories (SN↗
DOE OSTI2026

Agent-based Modeling for the Multi-objective Optimization of Energy Production Pathways: Integrated Techno-Economics and Life Cycle Assessment

This project developed an integrated modeling framework to evaluate how purpose-grown bioenergy feedstocks could support large-scale sustainable aviation fuel production in the United States. Led by Colorado State University with project partners, the work combined geographically resolved analysis, techno-economic assessment, life cycle assessment, multi-objective optimization, and agent-based modeling to examine feedstock performance, deployment potential, land-use implications, and adoption dynamics. The overall goal was to identify practical and sustainable pathways for producing aviation fuel from feedstocks such as energy crops, woody crops, oilseeds, and algae while helping inform policy, investment, and research needs tied to national SAF goals. In essence, the project provides a systems-level assessment of the opportunities and constraints associated with scaling bioenergy-based aviation fuels in the U.S.

09 BIOMASS FUELS↗
DOE OSTI2026

Simplex‐based model for nanoparticle grain identification in four‐dimensional scanning transmission electron microscopy data

Grain identification in polycrystalline nanoparticles, for example, determining which crystal phases are present at each spatial location, is fundamental to materials characterisation. This is particularly challenging when grains overlap extensively, as commonly occurs in four-dimensional scanning transmission electron microscopy (4D-STEM) datasets. We propose a simplex-based model (SBM) in which each simplex vertex represents the diffraction pattern (DP) of a pure grain, and the simplex edges and interior represent overlapping grains. Our SBM grain identification algorithm operates on the Bragg disk (BD) data matrix distilled from the 4D-STEM data to identify the grain membership at each scan position, together with a BD feature matrix whose columns represent the DPs for each constituent grain, which is important for identifying the crystal structure of each grain. We solve the model using a two-stage algorithm. In Stage 1, we adapt a linear mixing algorithm to estimate an initial BD feature matrix whose columns represent DPs of potentially overlapping grains. Our Stage 2 algorithm incorporates sparsity considerations to transform the initial BD feature matrix so that its columns represent DPs of pure grains. Using simulated datasets with various grain configurations, we demonstrate that SBM recovers both the BD feature matrix and membership maps more accurately than existing methods, even when a grain lacks any pure region and completely overlaps with other grains.

4D-STEM segmentation↗
DOE OSTI2025

Microstructure-based modeling of inner oxygen pressure in solid oxide electrolysis cells: Analysis of electrode delamination and mitigation

One major degradation mechanism during long-term operation of solid oxide electrolysis cells (SOECs) is delamination of oxygen electrodes (OEs). The driving force for the electrode delamination could be the generated high inner oxygen pressure near the electrode-electrolyte interface during operation. However, the effects of transport properties and electrode thickness on the inner oxygen partial pressure are not well understood. Here a microstructure-based electrochemical model, which includes the conduction of electrons and oxygen ions coupled with Butler-Volmer-type chemical reactions at triple-phase-boundaries (TPBs), is employed to investigate the oxygen pressure in lanthanum strontium manganate (LSM)-based SOECs. The model is applied to both two-dimensional (2D) prototype microstructures and three-dimensional (3D) realistic microstructures, and the oxygen pressure is analyzed as a function of transport properties and electrode thickness under both potentiostatic and galvanostatic operations. The simulation results suggest strategies to suppress electrode delamination. The simulation results are compared to an analytical solution, and the discrepancies are attributed to the Butler-Volmer-type kinetics included in the microstructure-based model.

25 ENERGY STORAGE↗
DOE OSTI2025

ATEAM4Py: An Efficient and Scalable Python-Based Model for Charging Demand

This report details the development and implementation of ATEAM4Py, a Python-based simulation model that projects demand for battery electric vehicle (BEV) charging based on adoption trends and consumer behavior. With Exelon’s support, Argonne National Laboratory converted the original Java-based Agent-based Transportation Energy Analysis Model (ATEAM) into Python, resulting in a faster and more efficient tool for forecasting the timing, location, and scale of charging demand growth. ATEAM4Py tackles key challenges in simulation efficiency and runtime, supporting the strategic development of cost-effective grid capacity expansion strategies and ensuring reliable service for stakeholders.

33 ADVANCED PROPULSION SYSTEMS↗