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Frontiers in computing for artificial intelligence

An emerging diversity of computational platforms offers many different approaches to adopting the paradigm of artificial intelligence to the study of electron-ion collisions. Here we review several leading candidates in this computational frontier and their workflows for experimental applications of artificial intelligence that may impact the future Electron-Ion Collider. We discuss the motivation for exploring novel methods to solve artificial intelligence and machine learning problems including with customized devices, quantum simulation, and heterogeneous computing systems. Furthermore, these technologies offer promising approaches to address some of the leading concerns of future computing that may impact the Electron-Ion Collider but they will require further development and testing in order to support future planning efforts.

detector design and construction technologies and ↗

Improving Subsurface Stress Characterization for Carbon Dioxide Storage Projects by Incorporating Machine Learning Techniques

The overall objective of this project is to develop a framework for reliable characterization and prediction of the state of stress in the overburden and underburden (including the basement) in CO 2 storage reservoirs using machine learning and integrated geomechanics and geophysical methods. Specifically, we propose to develop workflow encompassing of technologies and/or methods to predict stress and pressure changes due to CO 2 injection in an active tertiary recovery site and their impacts on subtle fault activation, fractures and occurrence of microseismic events and compare responses to field observations. In this project, we anticipate using dataset from the Farnsworth field Unit (FWU) which is operated by Purdure Petroleum. A novel elastic-waveform VSP inversion technique will be used to estimate high-resolution spatial and temporal changes of elastic moduli in CO 2 storage reservoirs, which will be combined with velocity-stress relationship derived from laboratory tests to obtain subsurface pressure and stress. Clustered microseismic data will be jointly inverted for improved focal mechanisms. Least-squares reverse-time migration of microseismic waveform data will be performed to directly image fracture/fault zones. Additionally, a deep neural network machine learning technique with convolutional and recurrent layers will be used for learning the spectro-temporal structures in microseismic waveforms. The results of this geotechnical data analysis will be integrated to develop a high-resolution 3D mechanical earth model extending from the overburden sealing formations to the underburden including the basement. Mechanical properties will be derived through integration of mechanical logs, tests, available results from chemo-mechanical laboratory tests, and elastic inversion of seismic data using a combination of Bayesian and stochastic methods as well as machine learning technique. Failure features (faults/fractures) will be represented and/or modeled based on seismic and core data analysis. A transient hydrodynamic-geomechanical model will be developed through coupling with the calibrated FWU reservoir simulation model. The full physics coupled model will be used to train a reduced order proxy model using machine learning algorithm for estimating stress which will then be used with appropriate constitutive relationships and forward seismological models to simulate pressure changes and induced microseismicity. An advanced optimization framework will be developed to perform a history match to minimize error between field observations and simulated. The history matched proxy model will be verified against the full-physics equivalent. The field observations that will be used in the coupled model calibration process include pressure/stress inverted from VSP, moment magnitude from microseismic analysis, real time downhole pressure measurements, production and injection data. Parameter sensitivity and uncertainty analysis will be performed to characterize the impact of model parameter uncertainty on stress estimates. The proposed project will have significant impact on future field implementation of the proposed technology. Because the project field site is an ongoing CO 2 EOR development, the value of the new technology will be demonstrated in an operational context and evaluated as a viable risk mitigation strategy. Cost/benefit will be evaluated together with the various commercial incentives for CO 2 sequestration available to oil and gas operators. The extensive available dataset and ongoing data acquisition under the SWP Phase III work plan provides flexibility for investigation of multiple approaches and reduces technical risk.

58 GEOSCIENCES↗

TGCM: (T)rait, (G)ene, and (C)rop Growth (M)odel Directed Targeted Gene Characterization in Sorghum (Final Technical Report)

Understanding which genes control important crop traits could help scientists develop better bioenergy and food crops more efficiently. However, plant genomes contain tens of thousands of genes, and testing each one individually is expensive and time-consuming. This project developed computational tools to predict which genes are most likely to matter, allowing researchers to focus their efforts where they will have the greatest impact. This project developed and validated integrated approaches combining machine learning, quantitative genetics, and crop growth modeling to improve the efficiency of functional gene characterization in sorghum (Sorghum bicolor), a critical bioenergy and food security crop. The research addressed a fundamental challenge in plant biology: the majority of genes in plant genomes lack experimentally validated functions, making it difficult to prioritize which genes to study using resource-intensive reverse genetics approaches.

60 APPLIED LIFE SCIENCES↗

Machine learning models for rat multigeneration reproductive toxicity prediction

Reproductive toxicity is one of the prominent endpoints in the risk assessment of environmental and industrial chemicals. Due to the complexity of the reproductive system, traditional reproductive toxicity testing in animals, especially guideline multigeneration reproductive toxicity studies, take a long time and are expensive. Therefore, machine learning, as a promising alternative approach, should be considered when evaluating the reproductive toxicity of chemicals. We curated rat multigeneration reproductive toxicity testing data of 275 chemicals from ToxRefDB (Toxicity Reference Database) and developed predictive models using seven machine learning algorithms (decision tree, decision forest, random forest, k-nearest neighbors, support vector machine, linear discriminant analysis, and logistic regression). A consensus model was built based on the seven individual models. An external validation set was curated from the COSMOS database and the literature. The performances of individual and consensus models were evaluated using 500 iterations of 5-fold cross-validations and the external validation data set. The balanced accuracy of the models ranged from 58% to 65% in the 5-fold cross-validations and 45%–61% in the external validations. Prediction confidence analysis was conducted to provide additional information for more appropriate applications of the developed models. The impact of our findings is in increasing confidence in machine learning models. We demonstrate the importance of using consensus models for harnessing the benefits of multiple machine learning models (i.e., using redundant systems to check validity of outcomes). While we continue to build upon the models to better characterize weak toxicants, there is current utility in saving resources by being able to screen out strong reproductive toxicants before investing in vivo testing. The modeling approach (machine learning models) is offered for assessing the rat multigeneration reproductive toxicity of chemicals. Our results suggest that machine learning may be a promising alternative approach to evaluate the potential reproductive toxicity of chemicals.

consensus model↗

Compression After Impact Testing of Sandwich Structures Using the Four Point Bend Test

For many composite laminated structures, the design is driven by data obtained from Compression after Impact (CAI) testing. There currently is no standard for CAI testing of sandwich structures although there is one for solid laminates of a certain thickness and lay-up configuration. Most sandwich CAI testing has followed the basic technique of this standard where the loaded ends are precision machined and placed between two platens and compressed until failure. If little or no damage is present during the compression tests, the loaded ends may need to be potted to prevent end brooming. By putting a sandwich beam in a four point bend configuration, the region between the inner supports is put under a compressive load and a sandwich laminate with damage can be tested in this manner without the need for precision machining. Also, specimens with no damage can be taken to failure so direct comparisons between damaged and undamaged strength can be made. Data is presented that demonstrates the four point bend CAI test and is compared with end loaded compression tests of the same sandwich structure.

Nettles, Alan T.↗

Adaptation Strategies Strongly Reduce the Future Impacts of Climate Change on Simulated Crop Yields

Abstract Simulations of crop yield due to climate change vary widely between models, locations, species, management strategies, and Representative Concentration Pathways (RCPs). To understand how climate and adaptation affects yield change, we developed a meta‐model based on 8703 site‐level process‐model simulations of yield with different future adaptation strategies and climate scenarios for maize, rice, wheat and soybean. We tested 10 statistical models, including some machine learning models, to predict the percentage change in projected future yield relative to the baseline period (2000–2010) as a function of explanatory variables related to adaptation strategy and climate change. We used the best model to produce global maps of yield change for the RCP4.5 scenario and identify the most influential variables affecting yield change using Shapley additive explanations. For most locations, adaptation was the most influential factor determining the projected yield change for maize, rice and wheat. Without adaptation under RCP4.5, all crops are expected to experience average global yield losses of 6%–21%. Adaptation alleviates this average projected loss by 1–13 percentage points. Maize was most responsive to adaptive practices with a projected mean yield loss of −21% [range across locations: −63%, +3.7%] without adaptation and −7.5% [range: −46%, +13%] with adaptation. For maize and rice, irrigation method and cultivar choice were the adaptation types predicted to most prevent large yield losses, respectively. When adaptation practices are applied, some areas are predicted to experience yield gains, especially at northern high latitudes. These results reveal the critical importance of implementing adequate adaptation strategies to mitigate the impact of climate change on crop yields.

54 ENVIRONMENTAL SCIENCES↗

Using Machine Learning to Infer Material Properties of Debris Fragments from X-ray Images in the DebriSat Project

The DebriSat project is a collaboration effort with the NASA Orbital Debris Program Office, the U.S. Space Force Space Systems Command Center, The Aerospace Corporation, and the University of Florida. To date, over 200,000 fragments from this ground-based, hypervelocity impact experiment have been collected, and processing is underway to determine their physical characteristics, such as material, shape, color, characteristic length, and average cross-sectional area. The x-ray process is primarily used to identify the location of the fragments and estimated size for extraction, so that these physical characteristics can be assessed. This paper proposes a machine learning-based approach to characterize materials from x-ray images of debris fragments embedded in soft-catch foam used in the DebriSat project. The novel methodology discussed in this paper will highlight the use of x-ray imagery data to characterize these fragments without extraction or a human-in-the-loop. Both supervised and unsupervised machine learning techniques are utilized with this approach to infer the physical parameters of the fragments embedded in the soft-catch foam panels used in the impact experiment based on x-ray images of the foam panels. Additionally, 3D reconstructions of the extracted fragments are created with images taken from two different angles using the structure from motion (SfM) method. The characteristic lengths and shape from the 3D reconstruction, alongside the physical characteristics of the debris, are used in the inference of the material type. To develop and test the approach, a dataset of x-ray images of debris fragments of varying sizes and materials is collected. Supervised learning methods such as convolutional neural networks (CNNs), support vector machines (SVM), decision trees, and random forest classifiers are used due to the high-dimensional feature spaces of the debris and nonlinear decision boundaries for material categorization. Given the limited pre-labeled data of embedded debris materials smaller than 10 mm, unsupervised machine learning techniques such as clustering algorithms and autoencoders are used, in addition to supervised learning methods. The clustering algorithms group similar fragments together based on their physical properties, and autoencoders reduce the dimensionality of the x ray images and extract relevant features. The performance of the proposed approach's is analyzed using a range of statistical methods, including confusion matrices, receiver operating characteristic curves, and precision-recall curves. The results are compared with those obtained using a baseline approach that relies on manual identification and classification of debris fragments. To evaluate the effectiveness of different machine learning methods, statistical tests such as t-tests, ANOVA, and cross-validation are performed, comparing the performance of CNNs, SVMs, clustering algorithms, and autoencoders. Additional analysis needs to be conducted to identify any sources of bias or variability that may affect the results, such as variations in imaging conditions or fragmentation patterns. Other topics explored are limitations, refinements, and the potential use of semi-supervised learning techniques, such as self-training to label unlabeled datasets and co-training using x-ray images taken from two different angles as two different models.

Saik Anam Siam↗

Using Machine Learning to Infer Material Properties of Debris Fragments from X-ray Images in the DebriSat Project

The DebriSat project is a collaboration effort with the NASA Orbital Debris Program Office, the U.S. Space Force Space Systems Command Center, The Aerospace Corporation, and the University of Florida. To date, over 200,000 fragments from this ground-based, hypervelocity impact experiment have been collected, and processing is underway to determine their physical characteristics, such as material, shape, color, characteristic length, and average cross-sectional area. The x-ray process is primarily used to identify the location of the fragments and estimated size for extraction, so that these physical characteristics can be assessed. This paper proposes a machine learning-based approach to characterize materials from x-ray images of debris fragments embedded in soft-catch foam used in the DebriSat project. The novel methodology discussed in this paper will highlight the use of x-ray imagery data to characterize these fragments without extraction or a human-in-the-loop. Both supervised and unsupervised machine learning techniques are utilized with this approach to infer the physical parameters of the fragments embedded in the soft-catch foam panels used in the impact experiment based on x-ray images of the foam panels. Additionally, 3D reconstructions of the extracted fragments are created with images taken from two different angles using the structure from motion (SfM) method. The characteristic lengths and shape from the 3D reconstruction, alongside the physical characteristics of the debris, are used in the inference of the material type. To develop and test the approach, a dataset of x-ray images of debris fragments of varying sizes and materials is collected. Supervised learning methods such as convolutional neural networks (CNNs), support vector machines (SVM), decision trees, and random forest classifiers are used due to the high-dimensional feature spaces of the debris and nonlinear decision boundaries for material categorization. Given the limited pre-labeled data of embedded debris materials smaller than 10 mm, unsupervised machine learning techniques such as clustering algorithms and autoencoders are used, in addition to supervised learning methods. The clustering algorithms group similar fragments together based on their physical properties, and autoencoders reduce the dimensionality of the x ray images and extract relevant features. The performance of the proposed approach's is analyzed using a range of statistical methods, including confusion matrices, receiver operating characteristic curves, and precision-recall curves. The results are compared with those obtained using a baseline approach that relies on manual identification and classification of debris fragments. To evaluate the effectiveness of different machine learning methods, statistical tests such as t-tests, ANOVA, and cross-validation are performed, comparing the performance of CNNs, SVMs, clustering algorithms, and autoencoders. Additional analysis needs to be conducted to identify any sources of bias or variability that may affect the results, such as variations in imaging conditions or fragmentation patterns. Other topics explored are limitations, refinements, and the potential use of semi-supervised learning techniques, such as self-training to label unlabeled datasets and co-training using x-ray images taken from two different angles as two different models.

Saik Anam Siam↗

Machine Learning for Advanced Building Construction

High-efficiency retrofits can play a key role in reducing carbon emissions associated with buildings if processes can be scaled-up to reduce cost, time, and disruption. Here we demonstrate an artificial intelligence/computer vision (AI/CV)-enabled framework for converting exterior build scans and dimensional data directly into manufacturing and installation specifications for overclad panels. In our workflow point clouds associated with LiDAR-scanned buildings are segmented into a facade feature space, vectorized features are extracted using an iterative random-sampling consensus algorithm, and from this representation an optimal panel design plan satisfying manufacturing constraints is generated. This system and the corresponding construction process is demonstrated on a test facade structure constructed at the National Renewable Energy Laboratory (NREL). We also include a brief summary of a techno-economic study designed to estimate the potential energy and cost impact of this new system.

build scans↗

Roundup causes embryonic development failure and alters metabolic pathways and gut microbiota functionality in non-target species

Background: Research around the weedkiller Roundup is among the most contentious of the twenty-first century. Scientists have provided inconclusive evidence that the weedkiller causes cancer and other life-threatening diseases, while industry-paid research reports that the weedkiller has no adverse effect on humans or animals. Much of the controversial evidence on Roundup is rooted in the approach used to determine safe use of chemicals, defined by outdated toxicity tests. We apply a system biology approach to the biomedical and ecological model species Daphnia to quantify the impact of glyphosate and of its commercial formula, Roundup, on fitness, genome-wide transcription and gut microbiota, taking full advantage of clonal reproduction in Daphnia. We then apply machine learning-based statistical analysis to identify and prioritize correlations between genome-wide transcriptional and microbiota changes. Results: We demonstrate that chronic exposure to ecologically relevant concentrations of glyphosate and Roundup at the approved regulatory threshold for drinking water in the US induce embryonic developmental failure, induce significant DNA damage (genotoxicity), and interfere with signaling. Furthermore, chronic exposure to the weedkiller alters the gut microbiota functionality and composition interfering with carbon and fat metabolism, as well as homeostasis. Using the “Reactome,” we identify conserved pathways across the Tree of Life, which are potential targets for Roundup in other species, including liver metabolism, inflammation pathways, and collagen degradation, responsible for the repair of wounds and tissue remodeling. Conclusions: Our results show that chronic exposure to concentrations of Roundup and glyphosate at the approved regulatory threshold for drinking water causes embryonic development failure and alteration of key metabolic functions via direct effect on the host molecular processes and indirect effect on the gut microbiota. The ecological model species Daphnia occupies a central position in the food web of aquatic ecosystems, being the preferred food of small vertebrates and invertebrates as well as a grazer of algae and bacteria. The impact of the weedkiller on this keystone species has cascading effects on aquatic food webs, affecting their ability to deliver critical ecosystem services.

59 BASIC BIOLOGICAL SCIENCES↗

Resilience Through Data-Driven, Intelligent Designed Control: A Formal Methods Approach

The PNNL and GTRI team developed a strategy to integrate temporal logic rule specification for detection of cyber-intrusion in the source code and control algorithms of CPS using advanced cyber-data. The GTRI team utilized its capabilities in rule synthesis and temporal logic specifications for software assurance and verification to detect and predict impact of cyber-intrusions and malware in the computational and control algorithms of cyber-physical systems. The team also developed a testing and verification approach that could be used to validate the suggested approach against a realistic use-case CPS showcasing improvements in system impact prediction performance. Temporal logic offers a compact expression of events in absolute and relative time and has a formalized translation to state machines. As such, temporal logic rules can feasibly be synthesized to any system as a rule engine, with the process being formally verified to be correct. The goal here is to utilize temporal logic rules to detect cyber-attacks and manipulations in the computational algorithms and provide real-time software assurance and verification guarantees.

97 MATHEMATICS AND COMPUTING↗

Multiscale Modeling of Woven Ablative Thermal Protection System Materials

The NASA Entry Systems Modeling project maintains a portfolio of computational model and tool development activities focused on reducing performance uncertainties in ablative Thermal Protection System (TPS) materials for NASA missions. The development activities span material scale and strive to allow microstructural characterization of material structure and properties, mesoscale analyses of damage, and macroscale evaluation of heatshield performance and recession in a given aerothermodynamic environment. This talk will detail the application of developed capabilities at all three scales to the woven TPS material that the Agency has selected as the heatshield for the Mars Sample Return Earth Entry System (MSR-EES) mission – 3D Mid-Density Carbon Phenolic (3MDCP). Each of the applications focuses on driving down uncertainties in material performance and thus risk for MSR-EES and other future missions that may leverage woven TPS. At the microscale, machine learning techniques are used to characterize images from destructive microscopy and inform structural variability. At the mesoscale, Lagrangian techniques are used to simulate ballistic impact and interpret damage modes noted in experiments. At the macroscale, coupled flow-material response techniques are validated by Arc Jet testing to enable heatshield design for missions with massive ablation.

Justin B Haskins↗

Development of Increasingly Autonomous Traffic Data Manager Using Pilot Relevancy and Ranking Data

NASA's Safe Autonomous Systems Operations (SASO) project goal is to define and safely enable all future airspace operations by justifiable and optimal autonomy for advanced air, ground, and connected capabilities. This work showcases how Increasingly Autonomous Systems (IAS) could create operational transformations beneficial to the enhancement of civil aviation safety and efficiency. One such IAS under development is the Traffic Data Manager (TDM). This concept is a prototype 'intelligent party-line' system that would declutter and parse out non-relevant air traffic, displaying only relevant air traffic to the aircrew in a digital data communications (Data Comm) environment. As an initial step, over 22,000 data points were gathered from 31 Airline Transport Pilots to train the machine learning algorithms designed to mimic human experts and expertise. The test collection used an analog of the Navigation Display. Pilots were asked to rate the relevancy of the displayed traffic using an interactive tablet application. Pilots were also asked to rank the order of importance of the information given, to better weight the variables within the algorithm. They were also asked if the information given was enough data, and more importantly the "right" data to best inform the algorithm. The paper will describe the findings and their impact to the further development of the algorithm for TDM and, in general, address the issue of how can we train supervised machine learning algorithms, critical to increasingly autonomous systems, with the knowledge and expertise of expert human pilots.

Le Vie, Lisa R.↗

Comparison of Machine Learning-Based Predictive Models of the Nutrient Loads Delivered from the Mississippi/Atchafalaya River Basin to the Gulf of Mexico

Predicting nutrient loads is essential to understanding and managing one of the environmental issues faced by the northern Gulf of Mexico hypoxic zone, which poses a severe threat to the Gulf’s healthy ecosystem and economy. The development of hypoxia in the Gulf of Mexico is strongly associated with the eutrophication process initiated by excessive nutrient loads. Due to the complexities in the excessive nutrient loads to the Gulf of Mexico, it is challenging to understand and predict the underlying temporal variation of nutrient loads. The study was aimed at identifying an optimal predictive machine learning model to capture and predict nonlinear behavior of the nutrient loads delivered from the Mississippi/Atchafalaya River Basin (MARB) to the Gulf of Mexico. For this purpose, monthly nutrient loads (N and P) in tons were collected from US Geological Survey (USGS) monitoring station 07373420 from 1980 to 2020. Machine learning models—including autoregressive integrated moving average (ARIMA), gaussian process regression (GPR), single-layer multilayer perceptron (MLP), and a long short-term memory (LSTM) with the single hidden layer—were developed to predict the monthly nutrient loads, and model performances were evaluated by standard assessment metrics—Root Mean Square Error (RMSE) and Correlation Coefficient (R). The residuals of predictive models were examined by the Durbin–Watson statistic. The results showed that MLP and LSTM persistently achieved better accuracy in predicting monthly TN and TP loads compared to GPR and ARIMA. In addition, GPR models achieved slightly better test RMSE score than ARIMA models while their correlation coefficients are much lower than ARIMA models. Moreover, MLP performed slightly better than LSTM in predicting monthly TP loads while LSTM slightly outperformed for TN loads. Furthermore, it was found that the optimizer and number of inputs didn’t show effects on the LSTM performance while they exhibited impacts on MLP outcomes. This study explores the capability of machine learning models to accurately predict nonlinearly fluctuating nutrient loads delivered to the Gulf of Mexico. Further efforts focus on improving the accuracy of forecasting using hybrid models which combine several machine learning models with superior predictive performance for nutrient fluxes throughout the MARB.

54 ENVIRONMENTAL SCIENCES↗

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials using MALAMUTE

The Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy aims to develop and qualify additively manufactured materials for nuclear applications. One key challenge to this is the microstructural variability observed in the additively manufactured products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-throughput experimental and modeling techniques to accelerate qualification. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the additive manufacturing process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture microstructural variability is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning models to develop a digital twin for additive manufacturing that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation. The melting and subsequent solidification that occurs during the additive process is a complex phenomenon that requires multiscale multiphysics analysis. This work package focuses on understanding the role of process variabilities on the unique microstructural characteristics of additively manufactured materials. Microstructural features at the subgrain level, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. Idaho National Laboratory’s Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for additively manufactured materials in an efficient, reliable, and cost-effective way. This work focuses on capturing the microstructural variabilities at the subgrain level that are often missing in the part-scale models. In fiscal year 2025, we significantly advanced upon our work in the last fiscal year, in terms of the predictive capabilities of the physics-based and ML models, by adding the capabilities to capture subgrain-level micro-segregation during solidification using phase-field model and to predict the time-dependent dynamics of the AM process through the MOGPAR model. The alloy solidification model in MOOSE incorporates the thermodynamic properties and free energy relevant to 316 stainless steel. The model demonstrates the Cr and Ni segregation that occurs during solidification, including that the rate of solidification. The microstructural evolution model is connected to the process conditions via the surrogate model developed in this work. This enables predictions of the final microstructure in conjunctions with the manufacturing process. This work supports AMMT's rapid qualification goals by laying the foundation for an efficient and cost-effective model establishing the PSPP correlation for AM. The generated microstructures and predicted micro-segregation can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work helps to identify the key microstructural features at the subgrain level that are significant in property and performance predictions of additively manufactured components. This work will also provide inputs to the large-scale process variability models to reevaluate and validate assumptions and simplifications made in the part-scale models. Furthermore, through active learning this work can help identify the data need from both modeling and experimental sides for development of a robust digital twin for additive manufacturing and accelerate the AMMT's qualification efforts.

36 - MATERIALS SCIENCE↗

Greybox Thermal Parameter Identification of Electric Machine Stators

The parameters of electric machine thermal equivalent circuit networks are difficult to predict due to material and manufacturing uncertainties. In this paper, a Greybox system identification approach is used to identify parameters of electric machine stator lumped parameter thermal networks (LPTNs). LPTNs provide a low order, computationally efficient, dynamic model of temperatures at specific locations. Second and third order LPTN model structures are defined as state space equations with stator thermal parameters to be identified. To test the Greybox electric machine stator thermal system identification, five stator motorette prototypes were constructed with controlled variations in slot fill and slot liner thickness. The variation in the motorette thermal parameters and thermal time constants are detected using the Greybox identification. Special attention is given to the impact of sampling rate and Greybox data record length on parameter estimation accuracy.

33 ADVANCED PROPULSION SYSTEMS↗

Predicting Airport Runway Configurations for Decision-Support Using Supervised Learning

One of the most challenging tasks for air traffic controllers is runway configuration management (RCM). It deals with the optimal selection of runways to operate on (for arrivals and departures) based on traffic, surface wind speed, wind direction, other environmental variables, noise constraints, and several other airport-specific factors. It affects the efficiency of the National Airspace System (NAS) and both surface and airspace operations can benefit from better understanding future runway configurations. In this paper, we present a comprehensive implementation of predictive models for runway configuration estimation from large volumes of historical data. Specifically, operational data from two full years (2018 and 2019) is collected, analyzed, and fused together to build the data product used in this work. The data set differs from prior work in the field in terms of its scope, resolution, and variety of factors collected and considered. Meteorological data is collected from two different sources – current weather conditions from METAR (Meteorological Terminal Aviation Routine Weather Report) and forecast weather conditions from Localized Aviation MOS Program (LAMP). Operational data from the Federal Aviation Administration (FAA) Aviation System Performance Metrics (ASPM) related to scheduled and actual number of arrivals and departures, average taxi times, etc. are collected. NASA’s Sherlock Data Warehouse is used to identify critical information such as go-arounds, and other events that might impact RCM decision-making. All data is collected and aggregated over 15-minute intervals throughout the two years. This provides a resolution like the timescales that might be necessary for runway configuration management decision-making. A variety of supervised learning algorithms are tested including Support Vector Machine, Random Forest, Gradient Boosting, etc. including tuning of the model hyperparameters. The modeling process is applied and presented on two representative U.S. airports – Charlotte Douglas International Airport (KCLT) and Denver International Airport (KDEN). The two airports present different levels of complexity in terms of the total number of configurations used and provide a balanced perspective on the generalizability of the developed approach to other airports in the NAS. Initial results are promising (F1 score of 0.91 at KCLT and 0.83 at KDEN) for data in the test set. The final paper will contain a comprehensive comparison between different models and model building strategies as well as further refined results. Most important predictors for each airport will be identified along with a discussion and recommendations on adapting the framework to other scenarios.

Tejas G Puranik↗

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials Using MALAMUTE

Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy, aims to develop and qualify additively-manufactured materials for nuclear applications. The key challenges to these efforts are the microstructural variabilities observed on the AM products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-through-put experimental and modeling techniques to accelerate the qualification efforts. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the AM process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture the microstructural variabilities is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning modeling capabilities to develop a digital twin for AM that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation for AM materials. The melting and subsequent solidification that occurs during the AM process is a complex phenomenon that requires multiscale multiphysics analysis. Idaho National Laboratory’s (INL) Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for AM materials in an efficient, reliable, and cost-effective way. This work package focuses on understanding the role of process variabilities on the various microstructural characteristics of the AM materials. Microstructures unique to AM materials, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. In fiscal year (FY) 24, we significantly advanced upon our work in the last fiscal year, both on physics-based and ML models. The alloy solidification model available in MOOSE has been extended to incorporate the thermodynamic properties and free energy relevant to 316SS. The model demonstrates the Cr segregation that occurs during solidifcation. It is demonstrated that rate of solidification and solute segregation is primarily influence by the cooling rate dictating the level of freezing. This work captures the microstructural variabilities at the subgrain level that are often missing in the part-scale models. With an aim to connect the microstructural evolution model to realistic process conditions, a reduced order model is developed for predicting the thermal conditions around meltpool from high-fidelity process simulations. Furthermore, machine learning approach is used to accelerate the temperature prediction during the AM process. In the following years, MALAMUTE will be used to connect different aspects of the models and quantitatively predict the microstructural evolution. The developed ML-based surrogate model will consider the process conditions as the input to predict the microstructural features in a cost-effective way. The generated microstructures can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work help identify the key microstructural features at the subgrain level that are significant in property/performance prediction of the AM products. This work will provide inputs to the large-scale process variability models to reevaluate and validate assumptions/simplifications made in the part-scale models. Furthermore, through active learning this work will help identify the data need from both modeling and experimental sides for development of a robust digital twin for AM.

36 MATERIALS SCIENCE↗