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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

OccuTherm: Occupant Thermal Comfort Inference using Body Shape Information

Thermal comfort is a decisive factor for the well-being, productivity, and overall satisfaction of commercial building occupants. Many commercial building automation systems either use a fixed zone-wide temperature set-point for all occupants or they rely on extensive sensor deployments with frequent online interaction with occupants. This results in inadequate comfort levels or significant training effort from users, respectively. However, the increasing ubiquity of cheap, depth-based occupancy tracking systems has enabled an improvement in inferential capabilities. We propose the novel system OccuTherm to model thermal comfort of occupants. We conducted a laboratory study with 77 participants to collect data for the implementation of a thermal comfort model that derives thermal comfort using the human body shape. Based on the comparison with model baselines and ablations, we show that our approach infers thermal comfort of individuals with 60 % accuracy when body shape information is taken into account; 6 % more than state-of-the-art approaches. We make our code, mobile app, datasets, and models freely available.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Occupancy data analytics and prediction: A case study

Occupants are a critical impact factor of building energy consumption. Numerous previous studies emphasized the role of occupants and investigated the interactions between occupants and buildings. However, a fundamental problem, how to learn occupancy patterns and predict occupancy schedule, has not been well addressed due to highly stochastic activities of occupants and insufficient data. This study proposes a data mining based approach for occupancy schedule learning and prediction in office buildings. The proposed approach first recognizes the patterns of occupant presence by cluster analysis, then learns the schedule rules by decision tree, and finally predicts the occupancy schedules based on the inducted rules. A case study was conducted in an office building in Philadelphia, U.S. Based on one-year observed data, the validation results indicate that the proposed approach significantly improves the accuracy of occupancy schedule prediction. The proposed approach only requires simple input data (i.e., the time series data of occupant number entering and exiting a building), which is available in most office buildings. Furthermore, this approach is practical to facilitate occupancy schedule prediction, building energy simulation and facility operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Inference of cell type-specific gene regulatory networks on cell lineages from single cell omic datasets

Abstract Cell type-specific gene expression patterns are outputs of transcriptional gene regulatory networks (GRNs) that connect transcription factors and signaling proteins to target genes. Single-cell technologies such as single cell RNA-sequencing (scRNA-seq) and single cell Assay for Transposase-Accessible Chromatin using sequencing (scATAC-seq), can examine cell-type specific gene regulation at unprecedented detail. However, current approaches to infer cell type-specific GRNs are limited in their ability to integrate scRNA-seq and scATAC-seq measurements and to model network dynamics on a cell lineage. To address this challenge, we have developed single-cell Multi-Task Network Inference (scMTNI), a multi-task learning framework to infer the GRN for each cell type on a lineage from scRNA-seq and scATAC-seq data. Using simulated and real datasets, we show that scMTNI is a broadly applicable framework for linear and branching lineages that accurately infers GRN dynamics and identifies key regulators of fate transitions for diverse processes such as cellular reprogramming and differentiation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Comparison of four learning-based methods for predicting groundwater redox status

Knowing the location where groundwater denitrification occurs, or by proxy the groundwater redox status (oxic, mixed, and anoxic), is valuable information for assessing and managing potential agricultural land-use impacts on freshwater quality. We compare the efficacy of supervised (Linear Discriminant Analysis LDA; Boosted Regression Trees, BRT; and Random Forest, RF) and unsupervised (Modified Self-Organizing Map, MSOM) learning-based methods to predict groundwater redox status in the agriculturally dominated Tasman, Waikato, and Wellington regions of New Zealand. Thresholds applied to regional groundwater-quality samples provide redox status variables and learn heuristics constrained by these variables and applied to spatial factors (climate, elevation, geologic, hydrology soils, and well depth) identify optimal sets of regional predictor variables. A split-sample approach is used to train and test the learning methods ability to predict redox status using the optimal predictor variables. Overall, the supervised methods demonstrate a prediction bias toward oxic conditions and inability to perform statistically well when using independent regional data; for example, consider kappa statistics for BRT (Tasman: 0.42, Waikato: 0.38, Wellington: 0.17), RF (Tasman: 0.42, Waikato: 0.47, Wellington: 0.17 and LDA (Tasman: 0.46, Waikato: 0.32, Wellington: 0.17). By contrast, the unsupervised method performs statistically well when predicting oxic, mixed, and anoxic conditions and corresponding depths when using independent regional data; for example, consider MSOM kappa statistics for Tasman: 0.78, Waikato: 0.80, Wellington: 0.76. The unsupervised learning method provides the added benefits of being (1) able to combine predictions into 3D regional anoxic probability plots for interpreting the spatial influence of paleosols and groundwater flowpaths on redox status, and (2) readily extended to map 3D redox status across New Zealand and other countries despite data bias and sparsity.

machine learning algorithms, Random Forest, booste↗
DOE OSTI2017

Enhancing gene regulatory network inference through data integration with markov random fields

Here, a gene regulatory network links transcription factors to their target genes and represents a map of transcriptional regulation. Much progress has been made in deciphering gene regulatory networks computationally. However, gene regulatory network inference for most eukaryotic organisms remain challenging. To improve the accuracy of gene regulatory network inference and facilitate candidate selection for experimentation, we developed an algorithm called GRACE (Gene Regulatory network inference ACcuracy Enhancement). GRACE exploits biological a priori and heterogeneous data integration to generate high- confidence network predictions for eukaryotic organisms using Markov Random Fields in a semi-supervised fashion. GRACE uses a novel optimization scheme to integrate regulatory evidence and biological relevance. It is particularly suited for model learning with sparse regulatory gold standard data. We show GRACE’s potential to produce high confidence regulatory networks compared to state of the art approaches using Drosophila melanogaster and Arabidopsis thaliana data. In an A. thaliana developmental gene regulatory network, GRACE recovers cell cycle related regulatory mechanisms and further hypothesizes several novel regulatory links, including a putative control mechanism of vascular structure formation due to modifications in cell proliferation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Progress in end-to-end optimization of fundamental physics experimental apparata with differentiable programming

In this article we examine recent developments in the research area concerning the creation of end-to-end models for the complete optimization of measuring instruments. The models we consider rely on differentiable programming methods and on the specification of a software pipeline including all factors impacting performance — from the data-generating processes to their reconstruction and the inference on the parameters of interest — along with the careful specification of a utility function well aligned with the end goals of the experiment. Building on previous studies originated within the MODE Collaboration, we focus specifically on applications involving instruments for particle physics experimentation, as well as industrial and medical applications that share the detection of radiation as their data-generating mechanism. This report illustrates the most recent advancements in the area, and outlines, for each of the discussed applications as well as for automatic differentiation itself, ongoing and future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium films

Qubits made from superconducting materials are a mature platform for quantum information science application, such as quantum computing. However, material-based losses are now a limiting factor in reaching the coherence times needed for applications. In particular, knowledge of the atomistic structure and properties of the circuit materials is needed to identify, understand, and mitigate material-based decoherence channels. Here, we characterize the atomic structure of the native oxide film formed on Nb resonators by comparing fluctuation electron microscopy experiments to density functional theory calculations, finding that an amorphous layer is consistent with an Nb 2 O 5 stoichiometry. Comparing x-ray absorption measurements at the Oxygen K edge with first-principles calculations, we find evidence of d-type magnetic impurities in our sample, known to cause impedance in proximal superconductors. This work identifies the structural and chemical composition of the oxide layer grown on Nb superconductors and shows that soft x-ray absorption can fingerprint magnetic impurities in these superconducting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Misinterpreting modified gravity as dark energy: a quantitative study

Standard cosmological data analyses typically constrain simple phenomenological dark-energy parameters, for example the present-day value of the equation of state parameter, w 0 , and its variation with scale factor, w a . However, results from such an analysis cannot easily indicate the presence of modified gravity. Even if general relativity does not hold, experimental data could still be fit sufficiently well by a phenomenological w 0 w a CDM, unmodified-gravity model. Hence, it would be very useful to know if there are generic signatures of modified gravity in standard analyses. Here we present, for the first time to our knowledge, a quantitative mapping showing how modified gravity models look when (mis)interpreted within the standard unmodified-gravity analysis. Scanning through a broad space of modified-gravity (Horndeski) models, and assuming a near-future survey consisting of CMB, BAO, and SNIa observations, we report values of the best-fit set of cosmological parameters including (w 0 , w a ) that would be inferred if modified gravity were at work. We find that modified gravity models that can masquerade as standard gravity lead to very specific biases in standard-parameter spaces. Here, we also comment on implications for measurements of the amplitude of mass fluctuations described by the parameter S 8 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Organ-delimited gene regulatory networks provide high accuracy in candidate transcription factor selection across diverse processes

Organ-specific gene expression datasets that include hundreds to thousands of experiments allow the reconstruction of organ-level gene regulatory networks (GRNs). However, creating such datasets is greatly hampered by the requirements of extensive and tedious manual curation. Here, we trained a supervised classification model that can accurately classify the organ-of-origin for a plant transcriptome. This K-Nearest Neighbor-based multiclass classifier was used to create organ-specific gene expression datasets for the leaf, root, shoot, flower, and seed in Arabidopsis thaliana . A GRN inference approach was used to determine the: i. influential transcription factors (TFs) in each organ and, ii. most influential TFs for specific biological processes in that organ. These genome-wide, organ-delimited GRNs (OD-GRNs), recalled many known regulators of organ development and processes operating in those organs. Importantly, many previously unknown TF regulators were uncovered as potential regulators of these processes. As a proof-of-concept, we focused on experimentally validating the predicted TF regulators of lipid biosynthesis in seeds, an important food and biofuel trait. Of the top 20 predicted TFs, eight are known regulators of seed oil content, e.g., WRI1, LEC1, FUS3. Importantly, we validated our prediction of MybS2, TGA4, SPL12, AGL18, and DiV2 as regulators of seed lipid biosynthesis. We elucidated the molecular mechanism of MybS2 and show that it induces purple acid phosphatase family genes and lipid synthesis genes to enhance seed lipid content. This general approach has the potential to be extended to any species with sufficiently large gene expression datasets to find unique regulators of any trait-of-interest.

09 BIOMASS FUELS↗
DOE OSTI2024

Thermal images collected during large-scale 3D printing with Ingersoll MasterPrint

This data set contains images produced to test the performance of anomaly and fault detection methods in the context of additive manufacturing. Two print jobs were executed using the Ingersoll MasterPrint with the Model 30 Strangpresse extruder. The material used was Techmer compounded polylactic acid (PLA) with wood flour as a filler (80/20 PLA/WF by weight). The first print job consists of the 3D printing of a hexagonal cylinder with a two-bead wall. This print was sliced at a gantry velocity of 3000 millimeter per minute, and an extruder screw speed of 68.14 rotations per minute. This are considered the normal operating conditions. A second hexagonal cylinder was printed using a reduced extruder screw speed, 15% lower than under normal operating conditions. The images were collected with a Teledyne FLIR Lepton 3.5 infra-red camera, a small form factor radiometric long-wave infrared camera with a spectral range of 8 µm to 14 µm. Sensor resolution was 160x120 pixels, with a pixel size of 12 µm, a temperature range of -10 - 450°C, and an accuracy of +/- 10°C in its low gain configuration. Images in this data set were collected with cameras oriented at the printer nozzle. The nozzle camera setup consisted of two cameras located 12.5cm from the nozzle center. These were mounted directly to the print head, so that the camera positions relative to the print direction would remain constant as it rotated around its C-axis to follow the print path. One camera was placed ahead of the nozzle to capture the previous layer immediately before being covered by the new layer of material, while the second camera was placed behind the nozzle and captured the freshly extruded bead. Images are collecting during each phase of the print: (a) idle (i.e., no material deposited), (b) extrusion (i.e., to prime the extruder), and (c) printing (deposition of material to manufacture the hexagonal cylinder).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of hydrometeorological influences on reservoir releases using explainable machine learning methods

Long short-term memory (LSTM) networks have demonstrated successful applications in accurately and efficiently predicting reservoir releases from hydrometeorological drivers including reservoir storage, inflow, precipitation, and temperature. However, due to its black-box nature and lack of process-based implementation, we are unsure whether LSTM makes good predictions for the right reasons. In this work, we use an explainable machine learning (ML) method, called SHapley Additive exPlanations (SHAP), to evaluate the variable importance and variable-wise temporal importance in the LSTM model prediction. In application to 30 reservoirs over the Upper Colorado River Basin, United States, we show that LSTM can accurately predict the reservoir releases with NSE ≥ 0.69 for all the considered reservoirs despite of their diverse storage sizes, functionality, elevations, etc. Additionally, SHAP indicates that storage and inflow are more influential than precipitation and temperature. Moreover, the storage and inflow show a relatively long-term influence on the release up to 7 days and this influence decreases as the lag time increases for most reservoirs. These findings from SHAP are consistent with our physical understanding. However, in a few reservoirs, SHAP gives some temporal importances that are difficult to interpret from a hydrological point of view, probably because of its ignorance of the variable interactions. SHAP is a useful tool for black-box ML model explanations, but the hydrological processes inferred from its results should be interpreted cautiously. More investigations of SHAP and its applications in hydrological modeling is needed and will be pursued in our future study.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials

Here, we present MS25, a benchmark data set for evaluating machine learning interatomic potentials (MLIPs) across diverse materials-relevant systems including MgO surfaces, liquid water, zeolites, a catalytic Pt surface reaction, high-entropy alloys (HEAs), and disordered Zr-oxides. Five MLIP architectures (MACE, NequIP, Allegro, MTP, and Torch-ANI) are trained and tested, focusing not only on traditional metrics (energies, forces, and stresses) but also explicitly validating derived physical observables such as lattice constants, volumes, and reaction barriers. We find that most models reach comparable accuracy on standard error metrics across the simple systems, although equivariant MLIPs offer 1.5–2× improvements over nonequivariant MLIPs in energy and force error for structurally complex or compositionally disordered environments such as HEAs and Zr–O systems. Our analysis highlights that low errors in energy and force predictions do not guarantee reliable observables, emphasizing the necessity of explicit validation. We demonstrate limitations in cross-framework transferability, as models trained on one zeolite framework (CHA) fail to reliably generalize to predictions of structurally distinct frameworks (e.g., MFI). Size-extensive tests show some dependence on system size for MgO, resulting from forced periodicity. The HEA and Zr–O data sets are identified as challenging tests for future benchmarks and MLIP model architecture developments as they show significant differentiation in error between MLIP architectures and are still relatively difficult at 1000 training images. Moving forward, we recommend that benchmarking efforts shift their focus from marginal accuracy improvements in energy and force errors toward identifying and understanding model failure modes, rigorously assessing transferability, and evaluating how their errors affect observable predictions. For researchers looking to choose an MLIP architecture, we suggest selecting equivariant MLIP architectures if the complexity of the system is a challenge. For simple materials problems, auxiliary features such as integration with molecular dynamics engines, trade-offs between computational data set generation cost vs MLIP inference speed, and framework integration may play a more important decision factor than small differences in error metrics that are unlikely to matter for production-level research.

chemical structure↗
DOE OSTI2025

Application of Atmospheric Gases and Particulate Matter to the Assessment of Urban Heat Island

Background: Urban heat island (UHI), where built areas are warmer compared to non-urban regions, increases human related diseases and mortality. A key challenge in UHI analysis is the designation of sites as urban or suburban/rural; however, the growing complexity of green spaces in urban areas and the predominance of the transportation sector in nonurban areas creates a dilemma for distinct delineation. Objectives: This study aims to utilize the variability of atmospheric components such as particulate matter (PM), inorganic gases, and volatile organic compounds (VOCs) as direct tracers of the degree of urbanization for ground-based measurements to fully comprehend UHI in convoluted regions with indistinct delineation of urban and nonurban environments. Methods: Atmospheric gases and aerosols were used as direct tracers of urbanization for UHI analysis. Inorganic gases and particulate matter were monitored in two sites in a southeastern US city with varying degrees of urbanization. VOCs were analyzed using a proton transfer reaction time-of-flight mass spectrometer. Results: The more-urbanized site exhibited warmer night conditions and elevated total oxidant levels, leading to the formation of nanometer-sized particles. Machine learning analysis revealed similar atmospheric pollutant profiles for both sites, suggesting comparable sources and variability. Biogenic VOCs were enhanced at the less-urbanized site; however, levels of anthropogenic aromatic VOCs were comparable for both sites. A comprehensive mass spectra analysis revealed distinct molecular backbones per site that further affirmed the applicability of VOCs as indicators of urbanization. Conclusion: This study concludes that VOCs provide more direct and accurate information than typical inorganic gases and PM parameters for characterizing the degree of urbanization. Further exploration of VOCs can enhance our understanding of UHI dynamics and its interaction with vegetation in urban green spaces.

Air quality sensor↗
DOE OSTI2015

Voltage Regulation Using a Permanent Magnet Synchronous Generator with a Series Compensator: Preprint

A wind power plant (WPP) is often operated at unity power factor, and the utility host where the WPP connects prefers to regulate the voltage. Although this may not be an issue in a stiff grid, the connection to a weak grid can be a problematic. This paper explores the advantages of having voltage regulation capability via reactive power control. Another issue in wind power generation is that not all turbines are able to control their reactive power due to technical reasons or contractual obligations. A synchronous condenser (SC) using a permanent magnet synchronous generator (PMSG) is proposed to provide necessary reactive power for regulating voltage at a weak grid connection. A PMSG has the advantage of higher efficiency and reliability. Because of its lack of a field winding, a PMSG is typically controlled by a full-power converter, which can be costly. In the proposed system, the reactive power of the SC is controlled by a serially connected compensator operating in a closed-loop configuration. The compensator also damps the PMSG’s tendency to oscillate. The compensator’s VA rating is only a fraction of the rating of the SC and the PMSG. In this initial investigation, the proposed scheme is shown to be effective by computer simulations.

17 WIND ENERGY↗
DOE OSTI2017

An In-depth Review On the Scientific and Policy Issues Associated with Additive Manufacturing

Historically, manufacturing processes have been predominantly subtractive, i.e. three-dimensional objects were created by successively cutting material away from a solid block, by scraping, machining, turning or dissolving. Additive manufacturing (AM) or three-dimensional (3D) printing, in contrast, is controlled material addition, implemented by successively depositing layers of material until a predesigned shape is formed. AM represents an innovative manufacturing technology, and is set to transform production processes from design to manufacture, and to eventual distribution to end users, ultimately leading to an increase in energy efficiency and a reduction in gas emissions for future generation of industries. The unique capability of this technology to produce intricate geometries with customizable material properties has made it a widely interesting and welcome development among scientists, industry and the general public. Its wide acceptance has continued to make 3D printing technology more openly accessible, and low-cost desktop printing, with the capability to reproduce 3D objects from medical prostheses to weapons, is rapidly increasing in availability to the public. However, most research and media attention has been focused on the ingenuity of this ground-breaking technology and its wide range of possibilities. Very little consideration is being given to the adverse effects of the seemingly unstoppable advancement of AM technology and unrestricted access to 3D printing techniques. Also, proponents of AM technology rarely take into account the overall life-cycle cost and risks of failure of the manufactured part. Despite the promising prospects of this novel development, there are still concerns about how printed products will perform over time, the consistency of their quality, and the types and safety of materials used with this technology, especially with very large scale additive-manufactured products. This paper brings to light some scientific and policy risks and challenges concerning the material science and engineering aspects of these issues. Matters discussed include life-cycle cost analysis, end-product safety and quality assurance/control, regulation gaps, digital piracy, and resulting loopholes in safety and national security. The paper also presents potential options for curbing these risks, and otherwise adapting to the eventualities which, with certain inevitable factors in play, may lie beyond control.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Resolving the Solvation Structure and Transport Properties of Aqueous Zinc Electrolytes from Salt-in-Water to Water-in-Salt Using Neural Network Potential

Zn Cl 2 solutions are promising electrolytes for aqueous zinc-ion batteries. Here, we report a joint computational and experimental study of the structural and dynamic properties of aqueous Zn Cl 2 electrolytes with concentrations ranging from salt-in-water to water-in-salt (WIS). By developing a neural network potential (NNP) model, we perform molecular dynamics (MD) simulations with accuracy but at much larger lengths and longer timescales. The NNP predicted structures are validated by the structure factors measured by X-ray total scattering experiments. The MD trajectories provide a comprehensive and quantitative picture of the Zn 2 + solvation shell structures. Additionally, we find that the O − H covalent bonds in water are strengthened with increasing salt concentration, thus expanding the electrochemical stability window of aqueous electrolytes. In terms of dynamic properties, the calculated and experimentally measured conductivities are in good agreement. Through the analysis of the calculated cation transference number, we propose a three-stage charge carrier transport mechanism with increasing concentration: independent ion transport, strongly correlated ion transport, and small positive charge carrier diffusion through negatively charged polymeric clusters. Our study provides fundamental atomic scale insights into the structure and transport properties of the Zn Cl 2 electrolyte that can aid the optimization and development of WIS electrolytes. Published by the American Physical Society 2025

25 ENERGY STORAGE↗
DOE OSTI2019

Technology-Enabled Risk-Informed Maintenance Strategy to Minimize Operation and Maintenance Costs

The domestic fleet of nuclear power plants (NPPs) is facing a unique economic sustainability challenge in today’s energy market due to high total operating costs. One of the major contributors to the total operating cost of an NPP is the operations and maintenance (O&M) budget, which includes labor-intense preventive maintenance (PM) programs. PM programs involve manually performing inspection, calibration, testing, and maintenance of plant assets at periodic frequencies, as well as time-based replacement of assets, irrespective of individual asset condition. This approach, combined with the push to achieve high capacity factors, has resulted in a labor-centric business model. It is time to transition from this labor-centric business model to a technology-centric business model that will enable an optimal maintenance strategy by eliminating unnecessary costs associated with time-based PM activities. To enable this transition, the commercial nuclear industries are utilizing and developing reliable methodologies, based on available state of the art technologies, which facilitate assessing equipment condition and the dynamic risk of failure. The U.S. Department of Energy’s Idaho National Laboratory (INL) under the Light Water Reactor Sustainability (LWRS) Program is partnering with PKMJ Technical Services and Public Service Enterprise Group (PSEG) Nuclear, LLC to develop and demonstrate a deployable risk-informed predictive maintenance strategy to eliminate unnecessary O&M costs for an identified plant system, laying the foundation for scale-up to the entire plant. Recently developed technologies such as advanced wireless and wired sensors, data analytics, and risk assessment methodologies will support this transition. The technology-centric O&M model will result in significant automation and lay the foundation for real-time condition assessment of plant assets, thus enabling condition-based maintenance and enhancing plant safety, reliability, and economics of operation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗