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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Flame kinetics at scramjet-engine-relevant conditions: Role of prompt dissociation of weakly-bound radicals

Combustion in high-speed ram-based propulsion engines occurs under distinct thermodynamic conditions of high reactant temperatures (greater than 1000 K) and relatively low pressures (<5 atm). There is a lack of fundamental flame measurements at such conditions that result in adiabatic flame temperatures (T ad ) exceeding 2500 K. In this work, we have measured laminar flame speeds of oxygen-enriched CH 4 /oxidizer mixtures at sub-atmospheric conditions to probe kinetics at high T ad using the isobaric spherically expanding flame approach. Simulations with recent kinetic models revealed increasing differences between data and model predictions with increasing T ad , reaching up to 25 %. Kinetic analyses reveal that at the thermodynamic conditions in these O 2 -enriched flames, i.e., lower pressures and higher T ad , the effects of HCO prompt dissociation are accentuated. In addition to HCO, the prompt dissociations of CH 2 OH and C 2 H 5 are also considered. Here, the prompt dissociations of all three radicals were evaluated and their effects considered in flame speed simulations. Reaction path analysis for the present flames revealed that approximately half of the reaction flux for HCO formation undergoes prompt dissociation to H + CO. Furthermore, these analyses also revealed that the pathways and sensitive reactions are similar between oxygen-enriched fuel/oxidizer mixtures and preheated fuel/air mixtures, if both have similar T ad . Thus, flames of oxygen-enriched mixtures could be a surrogate to probe the flame chemistry of highly preheated mixtures at relatively low pressures that are often encountered in ram-based propulsion engine combustors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Expediting field-effect transistor chemical sensor design with neuromorphic spiking graph neural networks

Improving the sensitive and selective detection of analytes in a variety of applications requires accelerating the rational design of field-effect transistor (FET) chemical sensors. Achieving high-performance detection relies on identifying optimal probe materials that can effectively interact with target analytes, a process traditionally driven by chemical intuition and time-consuming trial-and-error methods. To address the difficulties in probe screening for FET sensor development, this work presents a methodology that combines neuromorphic machine learning (ML) architectures, specifically a hybrid spiking graph neural network (SGNN), with an enriched dataset of physicochemical properties through semi-automated data extraction using large language models. Achieving a classification accuracy of 0.89 in predicting sensor sensitivity categories, the SGNN model outperformed traditional ML techniques by leveraging its ability to capture both global physicochemical properties and sparse topological features through a hybrid modeling framework. Next-generation sensor design was informed by the actionable insights into the connections between material properties and sensing performance offered by the SGNN framework. Through virtual screening for the detection of per- and polyfluoroalkyl substances (PFAS) as a use case, the effectiveness of the SGNN model was further validated. Density functional theory simulations confirmed graphene as a promising active material for PFAS detection as suggested by the SGNN framework. By bridging gaps in predictive modeling and data availability, this integrated approach provides a strong foundation for accelerating advancements in FET sensor design and innovation.

Ferreira, Rodrigo Pires [Univ. of Chicago, IL (Uni↗
DOE OSTI2021

Thermal transport in defective and disordered materials

With significant recent advancements in thermal sciences—such as the development of new theoretical and experimental techniques, and the discovery of new transport mechanisms—it is helpful to revisit the fundamentals of vibrational heat conduction to formulate an updated and informed physical understanding. The increasing maturity of simulation and modeling methods sparks the desire to leverage these techniques to rapidly improve and develop technology through digital engineering and multi-scale, electro-thermal models. With that vision in mind, this review attempts to build a holistic understanding of thermal transport by focusing on the often unaddressed relationships between subfields, which can be critical for multi-scale modeling approaches. For example, we outline the relationship between mode-specific (computational) and spectral (analytical) models. We relate thermal boundary resistance models based on perturbation approaches and classic transmissivity based models. We discuss the relationship between lattice dynamics and molecular dynamics approaches along with two-channel transport frameworks that have emerged recently and that connect crystal-like and amorphous-like heat conduction. Throughout, we discuss best practices for modeling experimental data and outline how these models can guide material-level and system-level design.

42 ENGINEERING↗
DOE OSTI2023

Data-Driven RANS Turbulence Closures for Forced Convection Flow in Reactor Downcomer Geometry

Recent progress in data-driven turbulence modeling has shown its potential to enhance or replace traditional equation-based Reynolds-averaged Navier-Stokes (RANS) turbulence models. Here, this work utilizes invariant neural network (NN) architectures to model Reynolds stresses and turbulent heat fluxes in forced convection flows (when the models can be decoupled). As the considered flow is statistically one dimensional, the invariant NN architecture for the Reynolds stress model reduces to the linear eddy viscosity model. To develop the data-driven models, direct numerical and RANS simulations in vertical planar channel geometry mimicking a part of the reactor downcomer are performed. Different conditions and fluids relevant to advanced reactors (sodium, lead, unitary-Prandtl-number fluid, and molten salt) constitute the training database. The models enabled accurate predictions of velocity and temperature, and compared to the baseline k–τ turbulence model with the simple gradient diffusion hypothesis, do not require tuning of the turbulent Prandtl number. The data-driven framework is implemented in the open-source graphics processing unit–accelerated spectral element solver nekRS and has shown the potential for future developments and consideration of more complex mixed convection flows.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Continental-Scale Controls on Hyporheic Respiration Revealed by Knowledge-Guided Machine Learning

Hyporheic zone sediments regulate organic matter turnover and in-stream respiration, yet controls on sediment respiration remain poorly constrained across heterogeneous river networks, limiting prediction of stream metabolism and carbon processing at continental scales. Here, we integrate observations from ~90 river corridors across the United States in the WHONDRS consortium with a knowledge-guided machine learning (KGML) framework that couples thermodynamic rate theory with machine learning to identify dominant controls on hyporheic respiration. Diagnostic analyses show that organic matter concentration and thermodynamic favorability define an upper bound on respiration potential, whereas biological catalytic capacity and physical accessibility jointly govern realized respiration rates through interaction effects. To represent unmeasurable accessibility constraints, we use the mechanistic model as a scaffold for KGML, allowing machine learning to target residual structure not explained by process theory. This hybrid framework improves predictive skill relative to both the mechanistic model alone and fully data-driven models while preserving interpretability. These results indicate that variability in hyporheic respiration is largely mechanistically structured and demonstrate how integrating process theory with explainable AI enhances predictive performance while enabling scalable synthesis of river corridor observations.

Zheng, Jianqiu↗
DOE OSTI2022

Automatic detection of low surface brightness galaxies from Sloan Digital Sky Survey images

ABSTRACT Low surface brightness (LSB) galaxies are galaxies with central surface brightness fainter than the night sky. Due to the faint nature of LSB galaxies and the comparable sky background, it is difficult to search LSB galaxies automatically and efficiently from large sky survey. In this study, we established the low surface brightness galaxies autodetect (LSBG-AD) model, which is a data-driven model for end-to-end detection of LSB galaxies from Sloan Digital Sky Survey (SDSS) images. Object-detection techniques based on deep learning are applied to the SDSS field images to identify LSB galaxies and estimate their coordinates at the same time. Applying LSBG-AD to 1120 SDSS images, we detected 1197 LSB galaxy candidates, of which 1081 samples are already known and 116 samples are newly found candidates. The B-band central surface brightness of the candidates searched by the model ranges from 22 to 24 mag arcsec−2, quite consistent with the surface brightness distribution of the standard sample. A total of 96.46 per cent of LSB galaxy candidates have an axial ratio (b/a) greater than 0.3, and 92.04 per cent of them have $fracDev\_r$ < 0.4, which is also consistent with the standard sample. The results show that the LSBG-AD model learns the features of LSB galaxies of the training samples well, and can be used to search LSB galaxies without using photometric parameters. Next, this method will be used to develop efficient algorithms to detect LSB galaxies from massive images of the next-generation observatories.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

DAmodel: hierarchical Bayesian modelling of DA white dwarfs for spectrophotometric calibration

We use hierarchical Bayesian modelling to calibrate a network of 32 all-sky faint DA white dwarf (DA WD) spectrophotometric standards (⁠16.5 < V , 19.5⁠) alongside three CALSPEC standards, from 912 Å to 32 μm. The framework is the first of its kind to jointly infer photometric zero points and WD parameters (surface gravity log g⁠, effective temperature T eff ⁠, extinction A V ⁠, dust relation parameter R V ) by simultaneously modelling both photometric and spectroscopic data. We model panchromatic Hubble Space Telescope Wide Field Camera 3 (HST/WFC3) UVIS and IR photometry, HST/STIS UV spectroscopy, and ground-based optical spectroscopy to sub-per cent precision. Photometric residuals for the sample are the lowest yet yielding < 0.004 mag RMS on average from the UV to the NIR, achieved by jointly inferring time-dependent changes in system sensitivity and WFC3/IR count-rate nonlinearity. Our GPU-accelerated implementation enables efficient sampling via Hamiltonian Monte Carlo, critical for exploring the high-dimensional posterior space. The hierarchical nature of the model enables population analysis of intrinsic WD and dust parameters. Inferred spectral energy distributions from this model will be essential for calibrating the James Webb Space Telescope as well as next-generation surveys, including Vera Rubin Observatory’s Legacy Survey of Space and Time and the Nancy Grace Roman Space Telescope.

methods: statistical↗
DOE OSTI2025

Link Scheduling in Satellite Networks via Machine Learning Over Riemannian Manifolds

Low Earth Orbit (LEO) satellites play a crucial role in enhancing global connectivity, serving a complementary solution to existing terrestrial systems. In wireless networks, scheduling is a vital process that allocates time-frequency resources to users for interference management. However, LEO satellite networks face significant challenges in scheduling their links towards ground users due to the satellites’ mobility and overlapping coverage. This paper addresses the dynamic link scheduling problem in LEO satellite networks by considering spatio-temporal correlations introduced by the satellites’ movements. The first step in the proposed solution involves modeling the network over Riemannian manifolds, thanks to their representation as symmetric positive definite matrices. We introduce two machine learning (ML)-based link scheduling techniques that model the dynamic evolution of satellite positions and link conditions over time and space. To accurately predict satellite link states, we present a recurrent neural network (RNN) over Riemannian manifolds, which captures spatio-temporal characteristics over time. Furthermore, we introduce a separate model, the convolutional neural network (CNN) over Riemannian manifolds, which captures geometric relationships between satellites and users by extracting spatial features from the network topology across all links. Simulation results demonstrate that both RNN and CNN over Riemannian manifolds deliver comparable performance to the fractional programming-based link scheduling (FPLinQ) benchmark. Remarkably, unlike other ML-based models that require extensive training data, both models only need 30 training samples to achieve over 99% of the sum rate while maintaining similar computational complexity relative to the benchmark.

42 ENGINEERING↗
DOE OSTI2023

FORGE: Pre-Training Open Foundation Models for Science

Large language models (LLMs) are poised to revolutionize the way we conduct scientific research. However, both model complexity and pre-training cost are impeding effective adoption for the wider science community. Identifying suitable scientific use cases, finding the optimal balance between model and data sizes, and scaling up model training are among the most pressing issues that need to be addressed. In this study, we provide practical solutions for building and using LLM-based foundation models targeting scientific research use cases. We present an end-to-end examination of the effectiveness of LLMs in scientific research, including their scaling behavior and computational requirements on Frontier, the first Exascale supercomputer. We have also developed for release to the scientific community a suite of open foundation models called FORGE with up to 26B parameters using 257B tokens from over 200M scientific articles, with performance either on par or superior to other state-of-the-art comparable models. We have demonstrated the use and effectiveness of FORGE on scientific downstream tasks. Our research establishes best practices that can be applied across various fields to take advantage of LLMs for scientific discovery.

Yin, Junqi↗
DOE OSTI2026

mmbo (Multi-modal Bayesian Optimization) [SWR-25-119]

This package implements Bayesian Neural Network (BNN) based surrogate models for multi-modal data. These models are fit using a custom Variational Bayes procedure leveraging conjugate posteriors in the last layer of the network, offering more accurate predictions with better-calibrated uncertainty quantification than mean-field Variational Bayes.

Taylor, Ian [National Laboratory of the Rockies (N↗
DOE OSTI2024

Evaluation and Intercomparison of Small Uncrewed Aircraft Systems Used for Atmospheric Research

Abstract Small uncrewed aircraft systems (sUAS) are regularly being used to conduct atmospheric research and are starting to be used as a data source for informing weather models through data assimilation. However, only a limited number of studies have been conducted to evaluate the performance of these systems and assess their ability to replicate measurements from more traditional sensors such as radiosondes and towers. In the current work, we use data collected in central Oklahoma over a 2-week period to offer insight into the performance of five different sUAS platforms and associated sensors in measuring key weather data. This includes data from three rotary-wing and two fixed-wing sUAS and included two commercially available systems and three university-developed research systems. Flight data were compared to regular radiosondes launched at the flight location, tower observations, and intercompared with data from other sUAS platforms. All platforms were shown to measure atmospheric state with reasonable accuracy, though there were some consistent biases detected for individual platforms. This information can be used to inform future studies using these platforms and is currently being used to provide estimated error covariances as required in support of assimilation of sUAS data into weather forecasting systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Overview and How-to Tutorial Videos for Using NEWTS Data

Overview and How-to Tutorial Videos for Using NEWTS Data Video 1: Overview of NEWTS Database Video 2: How-to tutorial for EPA Flue Gas Desulfurization (FGD) Effluent NEWTS dataset Video 3: How-to tutorial for USGS Produced Waters NEWTS dataset Video 4: How-to tutorial for EPA Ash NEWTS dataset Video 5: How-to tutorial for Quillinan, et al 2018 DOE Geothermal Technology Office REE dataset Video 6: Tutorial video on navigating the NEWTS Dashboard, with an overview of NEWTS and navigating between the NEWTS Dashboard and Datasets (https://netl-doe.maps.arcgis.com/apps/dashboards/a5fa4192f7c6478dab3d6180d9c30b84) Video 7: Additional tutorial video on navigating the NEWTS Dashboard and investigating specific data points in the Dashboard and Datasets Video 8: Re-record of recent webinar giving an overview of the NEWTS Database and Dashboard, including interacting with the NEWTS Dashboard, locating specific data points, and finding the relevant streams in the NEWTS Database and datasets on EDX. Includes overview of the datasets, case studies, and steps for taking stream data from the database and modeling stream data in OLI Studio and Geochemist's Workbench. Note: Video 3 tutorial is also applicable to the USGS Brackish Water NEWTS dataset.

Aqueous Chemistry↗
DOE OSTI2021

Genome-Scale Metabolic Modeling Enables In-Depth Understanding of Big Data

Genome-scale metabolic models (GEMs) enable the mathematical simulation of the metabolism of archaea, bacteria, and eukaryotic organisms. GEMs quantitatively define a relationship between genotype and phenotype by contextualizing different types of Big Data (e.g., genomics, metabolomics, and transcriptomics). In this review, we analyze the available Big Data useful for metabolic modeling and compile the available GEM reconstruction tools that integrate Big Data. We also discuss recent applications in industry and research that include predicting phenotypes, elucidating metabolic pathways, producing industry-relevant chemicals, identifying drug targets, and generating knowledge to better understand host-associated diseases. In addition to the up-to-date review of GEMs currently available, we assessed a plethora of tools for developing new GEMs that include macromolecular expression and dynamic resolution. Finally, we provide a perspective in emerging areas, such as annotation, data managing, and machine learning, in which GEMs will play a key role in the further utilization of Big Data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Multiscale Deep Learning Model for Soil Moisture Integrating Satellite and In Situ Data

Deep learning (DL) models trained on hydrologic observations can perform extraordinarily well, but they can inherit deficiencies of the training data, such as limited coverage of in situ data or low resolution/accuracy of satellite data. In this work, we propose a novel multiscale DL scheme learning simultaneously from satellite and in situ data to predict 9 km daily soil moisture (5 cm depth). Based on spatial cross-validation over sites in the conterminous United States, the multiscale scheme obtained a median correlation of 0.901 and root-mean-square error of 0.034 m 3 /m 3 . It outperformed the Soil Moisture Active Passive satellite mission's 9 km product, DL models trained on in situ data alone, and land surface models. Our 9 km product showed better accuracy than previous 1 km satellite downscaling products, highlighting limited impacts of improving resolution. Not only is our product useful for planning against floods, droughts, and pests, our scheme is generically applicable to geoscientific domains with data on multiple scales, breaking the confines of individual data sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Towards a Robust Adaptive Digital Twin for Fusion Applications

The development of a digital twin system for fusion applications is essential for enhancing the prediction, analysis, and optimization of complex plasma processes. Machine learning (ML), particularly deep learning has demonstrated strong capabilities in modeling such highly nonlinear and intricate systems. However, two critical challenges limit the deployment of deep learning-based digital twins: Uncertainty Quantification (UQ) and data drift. UQ is vital for ensuring trustworthy predictions, especially in decision-support scenarios. Additionally, data-driven models are often sensitive to changes in the underlying data distribution, such as shot-to-shot variations in fusion experiments, which can lead to performance degradation over time. To address these challenges, we are developing an uncertainty-aware, adaptive digital twin framework. Our approach incorporates deep learning models enhanced with Gaussian Process approximations for predictive uncertainty estimation, coupled with an online learning mechanism that enables continuous model adaptation to new experimental data. This adaptive capability allows the data driven models to respond effectively to evolving plasma behaviors and equipment conditions. Specifically, to mitigate the effects of shot-to-shot drift, our system updates itself incrementally as new data becomes available, improving both robustness and fidelity. Our vision is to evolve this data driven model into a self-sustaining digital twin system that leverages UQ based feedback to continuously refine itself and potentially support real-time decision making. This presentation will cover a brief background on uncertainty quantification for ML, our ongoing effort on development of UQ capabilities for ML, our data science pipeline from data collection to model development and analysis and online learning framework for modeling coil deflection at DIII-D. I will also briefly touch upon opportunities and challenges in development of digital twin framework.

Sammuli, Brian [General Atomics]↗
DOE OSTI2020

Risk Importance Ranking of Fire Data Parameters to Enhance Fire PRA Model Realism

Fire is historically and analytically a significant contributor to nuclear power plant risk. The level of fire risk and the methods, tools and data for modeling this risk is highly debated by experts. One area of debate is the input data used in fire modeling and how to deal with this data’s high uncertainty. This report outlines initial work performed for determining the key parameters causing this uncertainty and how it propagates into nuclear power plant models. This research paves the way for the development of methods to reduce fire data uncertainty used in modeling. The Nuclear Regulatory Commission has mandated that nuclear power plants perform fire risk modeling. However, there are several issues with the current risk modeling implementation that affect the results. Approved modeling methods can be overly conservative and often do not match plant experience. Also, the data used in the modeling can have high uncertainties and is influenced by expert judgement. To evaluate input data uncertainty, researchers performed an initial review of several fire experiments done at Sandia National Laboratories. Uncertainties for fire data can come from many sources, such as experiment design constraints, environmental conditions, or other plant-specific aspects. There are many different significant and insignificant parameters driving the uncertainty. Additionally, the uncertainty of the different input data used in the fire modeling could have a significant or insignificant effect on the entire plant risk. A four-step methodology was developed to perform Integrated Probabilistic Risk Assessment Importance Ranking. A demonstration case using these steps was set up and three of the four steps were completed in fiscal year (FY) 2019 and the fourth step done FY 2020. These steps are: 1. The qualitative analysis of potential sources was conducted with the following items identified for the demonstration. • Maximum heat release rate • Time to maximum heat release rate • Duration of max heat release rate • Time to decay • Thermal conductivity of concrete • Specific heat of concrete • Density of concrete • Cable jacket thickness 2. A quantitative characterization of dominant sources of uncertainty was performed. A list of distributions and determined values of the dominant sources is shown in Appendix A. 3. A quantitative screening of the potential sources of uncertainty using Morris Elementary Effects Analysis was completed. An experimental model using the physics-based fire modeling tool Fire Dynamics Simulator was developed and coupled with the Risk Analysis Virtual Environment. The Morris analysis identified at least two parameters that can be eliminated as significant contributors (specific heat of concrete and cable jacket thickness). 4. Global importance measure (Global IM) analysis to generate a comprehensive ranking based on their influence on the plant risk. In this research, a moment-independent Global IM is used since it can address (a) uncertainty in the input parameters of the fire model, (b) uncertainty in the risk outputs, and (c) non-linearity and interactions among input parameters in the fire model, more accurately than the correlation-based and variance-based global methods. The observations from the research showed that, depending on the initial and boundary conditions of the fire scenarios, fire-induced damage could have a very small probability and could be dominated by the tail of the uncertainty distribution; hence, the accuracy of the correlation-based and variance-based methods is questionable. The moment-independent Global IM analysis in this research provides a better understanding of how experimental uncertainty data affects industry’s plant models and where improvements in that data will have the largest benefit for improving fire modeling accuracy in causing core damage. Among the five unscreened parameters obtained from the Morris EE analysis, the Global IM analysis results for the case study indicated that max heat release rate and fire location are the most important parameters. The report also outlines benefits of using a unified computational platform that integrates the underlying simulations (e.g., a fire progression model), quantitative screening (using the Morris EE method), and the Global IM analysis. A unified platform can (i) facilitate the ranking of input parameters considering multiple key fire scenarios simultaneously, rather than considering one scenario at a time, (ii) contribute to more explicit and accurate treatment of dependencies at multiple levels of Fire PRA, (iii) facilitate the sampling-based uncertainty quantification for Fire PRA, and (iv) help generating both “industry-wide” and "plant-specific" ranking of uncertainty sources in Fire PRA. Future research should be done to include additional parameters such as detection/suppression or cable fire spread. Adding a PRA software such as SAPHIRE to the RAVEN platform would help with plant model integration and improve treatment of fire-induced dependency. The I-PRA risk importance ranking methodology offered in this report can provide valuable information for efficiently (a) enhancing the realism of Fire PRA for existing plants and (b) supporting the development of Dynamic Fire PRA for advanced reactors and new plants.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Climatic Controls on Soil Carbon Accumulation and Loss in a Dryland Ecosystems

Arid and semiarid ecosystems drive year-to-year variability in the strength of the terrestrial carbon (C) sink, yet there is uncertainty about how soil C gains and losses contribute to this variation. For this work, to address this knowledge gap, we embedded C-depleted soil mesocosms, containing litter or biocrust C inputs, within an in situ dryland ecosystem warming experiment. Over the course of one year, changes in microbial biomass and total soil organic C pools were monitored alongside hourly measurements of soil CO 2 flux. We also developed a biogeochemical model to explore the mechanisms that gave rise to observed soil C dynamics. Field data and model simulations demonstrated that water exerted much stronger control on soil biogeochemistry than temperature, with precipitation events triggering large CO 2 pulses and transport of litter- and biocrust-derived C into the soil profile. We expected leaching of organic matter would result in steady accumulation of C within the mineral soil over time. Instead, the size of the total organic C pool fluctuated throughout the year, largely in response to microbial growth: increases in the size of microbial biomass were negatively correlated with the quantity of C residing in the top 2 cm, where most biogeochemical changes were observed. Our data and models suggest that microbial responses to precipitation events trigger rapid metabolism of dissolved organic C inputs, which strongly limit accumulation of autotroph-derived C belowground. Accordingly, changes in the magnitude and/or frequency of precipitation events in this dryland ecosystem could have profound impacts on the strength of the soil C sink.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Data and scripts associated with a manuscript on residence time distribution simulation in two 10-kilometer long river sections

This data package is associated with the publication “On the Transferability of Residence Time Distributions in Two 10-km Long River Sections with Similar Hydromorphic Units” submitted to the Journal of Hydrology (Bao et al. 2024).Quantifying hydrologic exchange fluxes (HEFs) at the stream-groundwater interface, along with their residence time distributions (RTDs) in the subsurface, is crucial for managing water quality and ecosystem health in dynamic river corridors. However, directly simulating high-spatial resolution HEFs and RTDs can be a time-consuming process, particularly for watershed-scale modeling. Efficient surrogate models that link RTDs to hydromorphic units (HUs) may serve as alternatives for simulating RTDs in large-scale models. One common concern with these surrogate models, however, is the transferability of the relationship between the RTDs and HUs from one river corridor to another. To address this, we evaluated the HEFs and the resulting RTD-HU relationships for two 10-kilometer-long river corridors along the Columbia River, using a one-way coupled three-dimensional transient surface-subsurface water transport modeling framework that we previously developed. Applying this framework to the two river corridors with similar HUs allows for quantitative comparisons of HEFs and RTDs using both statistical tests and machine learning classification models. This data package includes the model inputs files and the simulation results data. This data package contains 10 folders. The modeling simulation results data are in the folders 100H_pt_data and 300area_pt_data, for the study domain Hanford 100H and 300 area respectively. The remaining eight folders contain the scripts and data to generate the manuscript figures. The file-level metadata file (Bao_2024_Residence_Time_Distribution _flmd.csv) includes a list of all files contained in this data package and descriptions for each. The data dictionary file (Bao_2024_Residence_Time_Distribution _dd.csv) includes column header definitions and units of all tabular files.

54 ENVIRONMENTAL SCIENCES↗