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DOE OSTI2020

Isochronous Architecture-Based Voltage-Active Power Droop for Multi-Inverter Systems

This article proposes an isochronous architecture for parallel inverters with only voltage-active power droop (VP-D) control for improving active power sharing as well as plug-and-play of multi-inverter-based distributed energy resources (DERs). The isochronous framework obviates the need for an explicit regulation of the frequency while allowing for sharing of reactive power. The article shows that the detrimental effects of circulating currents between inverters can be addressed in the framework developed. The isochronous architecture is implemented by employing a GPS to disseminate clock timing signals that enable the microgrid to maintain the nominal system frequency. Small signal eigenvalue analysis of a Multi-inverter Microgrid system near the steady-state operating point is presented to evaluate the system stability. Moreover, unlike traditional droop-based methods, the isochronous strategy lends itself to analytical guarantees which are developed in the article. Furthermore, the effect of delays in receiving GPS clock signals by an inverter is experimentally characterized and an inverter isolation mechanism is proposed that disconnects inverters facing large GPS communication delays. Hardware experiments on an 1.2 kVA-prototype and controller-hardware-in-the-loop validation on the CIGRE distribution network are conducted to demonstrate the effectiveness of the proposed architecture towards active and reactive power sharing between inverters with load scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Multi-Segment Decentralized Control Strategies for Renewables-Rich Microgrids in Extreme Conditions

Microgrids provide a promising approach to accommodating various distributed energy resources (DERs), while requiring significant communication infrastructures that may be affected by extreme conditions such as natural disasters and cyber-attacks. In this paper, a fully decentralized control strategy without the need for communication is proposed for islanded microgrids with high renewables penetration. First, special multi-segment power/frequency characteristic curves are designed, so that different DERs can be automatically coordinated in a prioritized manner such as renewables first to maintain power balance while DER frequencies are regulated at their reference values. Second, piecewise linear served load versus frequency models are designed to prioritize loads according to their significance, so that only noncritical loads will be curtailed as needed while critical loads are supplied without any interruptions during power deficiency. The proposed strategy can effectively deal with various normal and extreme system conditions including 100% renewables penetration, loads and renewables variations, power deficiencies requiring load curtailments, disconnection of existing DERs, connection of new DERs as well as network sectionalization and reconfiguration. As a result, the proposed control strategy is validated in the real-time digital simulator (RTDS) model of the IIT Campus Microgrid to demonstrate its effectiveness in enhancing the resiliency of renewables-rich microgrids in extreme conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Capacitive discharge in flash experiments: A discussion of the charged species

Abstract We report on the discharge of the capacitance formed at the electrodes in flash experiments with yttria stabilized zirconia. The experiments were carried out by disconnecting the current, and, instead, short circuiting the electrodes through a resistor. The time dependent voltage across the resistor was measured; the ratio yielded the discharge current. The current decayed exponentially with time, as expected in an RC circuit, which allowed the measurement of the capacitance. Experiments were carried out in two ways. In one case the specimens were flashed within a glove box filled with Ar (< 1 ppm O 2 ): these yielded electronic conductors. In the other case the specimens were flashed in ambient air: while electronically conducting in‐flash these specimens recover their prior insulating behavior as soon as the current is turned off. The stored charge was two orders of magnitude greater in the Ar experiments. Rather unexpectedly, the sign of the voltage expressed at the electrodes was opposite in experiments carried out in air and in Ar. The capacitance measured in the discharge experiments is attributed to the formation of space charge adjacent to the electrodes. In the case of Ar experiments, the capacitance is very large, approaching 1 F; in this case the space charge is expected to be constituted from ions. In the air experiments the specimen becomes insulating, trapping the electrons as a space charge. Hall effect measurements of the carrier density and X‐ray photoelectron spectroscopy characterization of electronically conducting single crystal specimen of cubic zirconia are reported.

Materials Science↗

DOE OSTI2026

Soil fertility controls on tropical forest productivity and mortality: synthesis and roadmap

Tropical forests are highly diverse and productive ecosystems and store nearly 60% of vegetation biomass. Across the tropics, forests span large gradients of soil fertility, from vast regions situated on highly weathered, ancient geological formations to others on young, nutrient-rich landscapes. Tropical forest productivity, mortality, and biomass all vary systematically across these gradients in soil fertility. Aboveground forest productivity tends to increase with higher soil fertility, while counterintuitively, aboveground biomass does not increase proportionally. This disconnect is likely due to coinciding increases in mortality with higher soil fertility. However, we know relatively little about the mechanisms underlying how soil fertility regulates productivity or mortality – two critical determinants of forest biomass – and even less about how these relationships will shape tropical forest responses to global change. Here, we present a mechanistic framework for understanding how soil fertility affects productivity through photosynthesis, carbon allocation, and carbon-use efficiency; how it modulates mortality via direct and indirect interactions with various drivers of mortality; and how global change may alter these relationships. Based on this synthesis, we outline a roadmap to advance our understanding of tropical forests and improve predictions of their responses to global change.

Wong, Michelle Y [Yale University] (ORCID:00000002↗

DOE OSTI2025

Pseudogap and Fermi arc induced by Fermi surface nesting in a centrosymmetric skyrmion magnet

Skyrmions in noncentrosymmetric materials are believed to occur due to the Dzyaloshinskii-Moriya interaction. By contrast, the skyrmion formation mechanism in centrosymmetric materials remains elusive. Here, in this work, we reveal the intrinsic electronic structure of the centrosymmetric GdRu 2 Si 2 by selectively measuring magnetic domains using angle-resolved photoemission spectroscopy (ARPES). We found robust Fermi surface (FS) nesting, consistent with the magnetic modulation q -vector detected by the previous resonant x-ray scattering measurements. The pseudogap opens at the nested FS portions, which vary for different magnetic domains. The anomalous pseudogap disconnects the FS to generate Fermi arcs with twofold symmetry. These results indicate that the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction plays a decisive role in generating the screw spin modulation responsible for the skyrmion formation in GdRu 2 Si 2 . Furthermore, we demonstrate the flexible nature of magnetism in GdRu 2 Si 2 by manipulating magnetic domains with magnetic field and temperature cyclings, providing potential future applications for data storage and processing devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Impact of the Percolation Effect on the Temperature Dependences of the Capacitance–Voltage Characteristics of Heterostructures Based on Composite Layers of Silicon and Gold Nanoparticles

The temperature dependences of the capacitance–voltage characteristics and deep-level spectra of a Au–n-Si:Au–Si–p-Si heterostructure based on a composite layer of Au and Si nanoparticles are investigated. The structure manifests the properties of a transistor connected to a circuit with a common emitter with a disconnected base and an emitter Schottky barrier between the Au point contact and the n–(Si:Au) layer. Nanoparticles in this layer form finite clusters with hopping conductivity; herewith, charge accumulation is observed in the region of the Au point contact. The system at a measurement temperature below 180 K transitions from the finite-cluster phase to the infinite-cluster phase due to the percolation effect. This phase manifests metallic properties in the lateral plane of the heterostructure, which transforms into a p–n diode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Probing for the Trace Estimation of a Permuted Matrix Inverse Corresponding to a Lattice Displacement

We report thatpProbing is a general technique that is used to reduce the variance of the Hutchinson stochastic estimator for the trace of the inverse of a large, sparse matrix A. The variance of the estimator is the sum of the squares of the off-diagonal elements of A -1 . Therefore, this technique computes probing vectors that when used in the estimator annihilate the largest off-diagonal elements. For matrices that display decay of the magnitude of |A$^{-1}_{ij}$| with the graph distance between nodes i and j, this is achieved through graph coloring of increasing powers A k . Equivalently, when a matrix stems from a lattice discretization, it is computationally beneficial to find a distance-k coloring of the lattice. Previously, a hierarchical coloring was proposed so that k can be increased at runtime as needed without discarding previous work. In this work, we study probing for the more general problem of computing the trace of a permutation of A -1 , say PA -1 . The motivation comes from lattice quantum chromodynamics (QCD), where we need to construct “disconnected diagrams” to extract flavor-separated generalized parton functions. In lattice QCD, where the matrix has a four-dimensional toroidal lattice structure, these nonlocal operators correspond to a PA -1 , where P is the permutation relating to some displacement $\vec{p}$ in one or more dimensions. We focus on a single dimension displacement (p), but our methods are general. We show that probing on A k or (PA) k does not annihilate the largest magnitude elements. To resolve this issue, our displacement-based probing works on PA k using a new coloring scheme that works directly on appropriately displaced neighborhoods on the lattice. We prove lower bounds on the number of colors needed and study the effect of this scheme on variance reduction, both theoretically and experimentally on a real-world lattice QCD calculation. We achieve orders of magnitude speedup over the unprobed or the naively probed methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A roadmap toward scaling, reasoning and self-evolving foundation models for nuclear and particle physics

Foundation models have revolutionized artificial intelligence, with Large Language Models demonstrating unprecedented capabilities in multimodal understanding, reasoning and tool use. Nuclear and particle physics stands at a critical juncture where similar transformative potential awaits realization. The field generates exabytes of experimental data, exascale simulations, and decades of theoretical insights — yet these remain largely disconnected from modern Artifical Intelligence (AI) capabilities, with most physics AI applications confined to narrow, task-specific models that suffer from domain shifting when applied to real experimental data. We present a roadmap for FM4NPP (Foundation Model for Nuclear and Particle Physics), systematically scaling from current proof-of-concept models to trillion-parameter architectures capable of autonomous discovery. Our approach advances three critical frontiers: unified data infrastructure integrating detector data, scientific knowledge and computational tools across global facilities; multi-facility foundation models enabling cross-experiment knowledge transfer and accelerated discovery; and agentic AI capabilities for reasoning and autonomous tool use. The resulting self-evolving FM4NPP will transform physics research by converting time-intensive data analysis, theory derivation and computational bottlenecks into rapid AI–human collaborative discovery. This paradigm shift promises to fundamentally accelerate scientific progress in nuclear and particle physics, enabling researchers to focus on high-level insights while AI handles routine analysis and explores vast parameter spaces beyond human capacity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Managing Wildfire Risk and Promoting Equity through Optimal Configuration of Networked Microgrids

As climate change increases the risk of large-scale wildfires, wildfire ignitions from electric power lines are a growing concern. To mitigate the wildfire ignition risk, many electric utilities de-energize power lines to prevent electric faults and failures. These preemptive power shutoffs are effective in reducing ignitions, but they could result in wide-scale power outages. Advanced technology, such as networked microgrids, can help reduce the size of the resulting power outages; however, even microgrid technology might not be sufficient to supply power to everyone, thus forcing hard questions about how to prioritize the provision of power among customers. In this paper, we present an optimization problem that configures networked microgrids to manage wildfire risk while maximizing the power served to customers; however, rather than simply maximizing the amount of power served in kilowatts, our formulation also considers the ability of customers to cope with power outages, as measured by social vulnerability, and it discourages the disconnection of particularly vulnerable customer groups. To test our model, we leverage a synthetic but realistic distribution feeder, along with publicly available social vulnerability indices and satellite-based wildfire risk map data, to quantify the parameters in our optimal decision-making model. Our case study results demonstrate the benefits of networked microgrids in limiting load shed and promoting equity during scenarios with high wildfire risk.

distribution systems↗

DOE OSTI2025

Neutron-Friendly Li-Ion Battery Coin Cell for In Situ 3D Visualization of Li Plating

Advanced battery characterization using in situ/operando neutron imaging is critical for uncovering degradation modes such as lithium (Li) plating in Li-ion batteries (LIBs). However, conventional LIBs hinder operando neutron radiography (NR) and in situ neutron micro-computed tomography (N-μCT) for visualizing Li plating near the graphite-separator interface due to strong attenuation from hydrogen-rich components like PP–PE–PP separators, electrolyte, and Fe-based spacers. In this work, we designed and tested a neutron-friendly battery (NFB) optimized for in situ Li detection during extreme fast charging (XFC). Guided by neutron attenuation cross-sections and material transmission, the NFB enables clear visualization at the graphite–separator interface, which is typically opaque in standard LIBs. Electrochemical tests show the NFB exhibits voltage/current responses like standard cells for up to 50 XFC cycles. However, its lower reversibility and capacity are likely due to Cu-coated Al spacer degradation from delamination or corrosion. We propose titanium spacers as a more stable alternative, albeit requiring custom machining. Using this optimized cell, we achieved simultaneous neutron tomography of multiple cells, capturing in situ 3D images of dead Li accumulation, particularly near graphite edges. These heterogeneous deposits and disconnected Li clusters suggest localized current density hotspots during XFC.

25 ENERGY STORAGE↗

DOE OSTI2026

Endpoint Slippage Analysis in the Presence of Impedance Rise and Loss of Active Material

Endpoint slippage analysis can be used to quantify the reduction and oxidation side-reactions occurring in rechargeable batteries. Application of this technique often disregards the interference of additional aging modes, such as impedance rise and loss of active material (LAM). Here, we show that these modes can themselves induce slippage of endpoints, making the direct determination of parasitic reactions more difficult. We provide equations that describe the slippages caused by LAM and impedance rise. We show that these equations can, in principle, account for the contribution of these additional modes to endpoint slippage, enabling “correction” of testing data to quantify the side-reactions of interest. However, the challenge with this approach is that it requires information about the average Li+ content of disconnected active material domains, which is, in many cases, unknowable. The present work explores mathematical connections between measurable quantities (such as capacity fade and endpoint slippages) and the extent of LAM or impedance rise endured by the cell, and discuss how the tracking of endpoints can better serve battery diagnostics.

Rodrigues, Marco-Tulio F. [Argonne National Labora↗

DOE OSTI2022

Tomo2Mesh: Fast Reconstruction and Visualization of Tomography Data in Mesh Format

Tomo2Mesh is an open-source project targeted towards real-time reconstruction, segmentation, and visualization of computed tomography (CT) data in mesh format. The CT reconstruction scheme is based on filtered back-projection of voxel subsets. The segmentation scheme uses a 3D convolutional neural network. To allow for fast, real-time reconstruction, voxel subsets are first identified by coarse reconstruction. The detail in specific regions of interest is improved through full reconstruction of voxel subsets in that region. Data structures are implemented to store and process voxel subsets. Finally, voxel data is labeled using connected components to detect disconnected regions such as voids whose morphological attributes (e.g., Feret diameter, principal axis orientation, local number density, size, etc.) can be measured also in real-time. Finally, a fast marching cubes implementation processes labeled voxel data into a triangular face mesh (vertices and faces) in .ply format for visualization in Paraview or other mesh visualization tools. The code provides a simple programming interface for detecting, classifying, and visualizing regions of interest based on morphology. For example, detected voids can be classified as round pores or extended cracks. Highly porous neighborhoods can be identified based on local number density. The mesh texture (or color) is assigned based these morphological attributes to allow smart visualization scenarios in real-time (e.g., show only long cracks). At the time of first release (July 2022), extraction of face mesh for visualization for raw CT data from a 2 megapixel camera would take between 1-5 minutes for most scenarios.

TEKAWADE, ANIKET↗

DOE OSTI2023

Aquapv

This project brings together a multidisciplinary team to develop tools and analysis that will help U.S. industry accelerate deployment of floating PV on reservoirs and estuaries through producing: • A tool to assess potential environmental interactions of FPV on reservoirs and estuaries and thresholds for corresponding impacts. • A tailored FPV-specific techno-economic tool to guide users on financial performance and corresponding design considerations. • A synthesized tool, AquaPV, that combines the environmental and economic tools. • A set of case studies on an open-loop reservoir with a traditional hydropower plant (i.e., connected to a natural waterbody), closed-loop reservoir with a proposed pumped storage hydropower plant (i.e., manmade and disconnected from a natural waterbody), and a marine estuary (i.e., where a river meets the ocean), with an FPV system designed and modeled for each site. • A review of regulatory, environmental, and stakeholder opportunities and challenges to identify clear regulatory and environmental pathways to siting FPV on U.S. reservoirs. • A novel, high-fidelity geospatial resource assessment to estimate FPV technical potential on reservoirs in the United States.

Phillips, TylerB. [Idaho National Laboratory (INL)↗

DOE OSTI2023

Mechanisms of metabolic adaptation in the duckweed Lemna gibba: an integrated metabolic, transcriptomic and flux analysis

Abstract Background Duckweeds are small, rapidly growing aquatic flowering plants. Due to their ability for biomass production at high rates they represent promising candidates for biofuel feedstocks. Duckweeds are also excellent model organisms because they can be maintained in well-defined liquid media, usually reproduce asexually, and because genomic resources are becoming increasingly available. To demonstrate the utility of duckweed for integrated metabolic studies, we examined the metabolic adaptation of growing Lemna gibba cultures to different nutritional conditions. Results To establish a framework for quantitative metabolic research in duckweeds we derived a central carbon metabolism network model of Lemna gibba based on its draft genome. Lemna gibba fronds were grown with nitrate or glutamine as nitrogen source. The two conditions were compared by quantification of growth kinetics, metabolite levels, transcript abundance, as well as by 13 C-metabolic flux analysis. While growing with glutamine, the fronds grew 1.4 times faster and accumulated more protein and less cell wall components compared to plants grown on nitrate. Characterization of photomixotrophic growth by 13 C-metabolic flux analysis showed that, under both metabolic growth conditions, the Calvin-Benson-Bassham cycle and the oxidative pentose-phosphate pathway are highly active, creating a futile cycle with net ATP consumption. Depending on the nitrogen source, substantial reorganization of fluxes around the tricarboxylic acid cycle took place, leading to differential formation of the biosynthetic precursors of the Asp and Gln families of proteinogenic amino acids. Despite the substantial reorganization of fluxes around the tricarboxylic acid cycle, flux changes could largely not be associated with changes in transcripts. Conclusions Through integrated analysis of growth rate, biomass composition, metabolite levels, and metabolic flux, we show that Lemna gibba is an excellent system for quantitative metabolic studies in plants. Our study showed that Lemna gibba adjusts to different nitrogen sources by reorganizing central metabolism. The observed disconnect between gene expression regulation and metabolism underscores the importance of metabolic flux analysis as a tool in such studies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Regularizing least squares quantum state tomography with classical shadows

Classical shadows herald remarkable opportunities for resource-efficient quantum estimation. Although superficially disconnected from traditional inference methods, we show how classical shadows fit under a larger umbrella of least squares regularization, revealing tradeoffs with related methods.

Zhu, Zhihui [Ohio State University]↗

DOE OSTI2019

Research applications of primary biodiversity databases in the digital age

Our world is in the midst of unprecedented change-climate shifts and sustained, widespread habitat degradation have led to dramatic declines in biodiversity rivaling historical extinction events. At the same time, new approaches to publishing and integrating previously disconnected data resources promise to help provide the evidence needed for more efficient and effective conservation and management. Stakeholders have invested considerable resources to contribute to online databases of species occurrences. However, estimates suggest that only 10% of biocollections are available in digital form. The biocollections community must therefore continue to promote digitization efforts, which in part requires demonstrating compelling applications of the data. Our overarching goal is therefore to determine trends in use of mobilized species occurrence data since 2010, as online systems have grown and now provide over one billion records. To do this, we characterized 501 papers that use openly accessible biodiversity databases. Our standardized tagging protocol was based on key topics of interest, including: database(s) used, taxa addressed, general uses of data, other data types linked to species occurrence data, and data quality issues addressed. We found that the most common uses of online biodiversity databases have been to estimate species distribution and richness, to outline data compilation and publication, and to assist in developing species checklists or describing new species. Only 69% of papers in our dataset addressed one or more aspects of data quality, which is low considering common errors and biases known to exist in opportunistic datasets. Globally, we find that biodiversity databases are still in the initial stages of data compilation. Novel and integrative applications are restricted to certain taxonomic groups and regions with higher numbers of quality records. Continued data digitization, publication, enhancement, and quality control efforts are necessary to make biodiversity science more efficient and relevant in our fast-changing environment.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Hawaii Wave Surge Energy Converter (HAWSEC) OSU O.H. Hinsdale Basin

The following information and metadata applies to both the Phase I (Hydrodynamics) and Phase II (Full System Power Take-Off) zip folders which contain testing data from the OSU (Oregon State University) O.H. Hinsdale Wave Research Laboratory, from both OSU and the University of Hawaii at Manoa (UH). See zip folders provided further below in the downloads section. For experimental data of the full system, including PTO, see Phase II dataset. There are two main directories in each Phases's zip folder: "OSU_data" and "UH_data". The "OSU_data" directory contains data collected from their DAQ (data acquisition system), which includes all wave gauge observations, as well as body motions derived from their Qualisys motion tracking system. The organization of the directory follows OSU's convention. Detailed information on the instrument setup can be found under "OSU_data/docs/setup/instm_locations". The experiments conducted are documented in the "OSU_data/docs/daq_logs", which provides the trial number to the corresponding data located under "OSU_data/data" in several formats (e.g., ".mat" and ".txt"). Inside the trial directory, data is provided for each of the instruments defined in "OSU_data/docs/setup/instm_locations". The "UH_data" directory contains data collected from their DAQ. The data is stored in a ".tdms" file format. There are free plug-ins for Microsoft Excel and MathWorks MATLAB to read the ".tdms" format. Below are a few links providing methods to read in the data, but a Google search should identify alternatives sources if these no longer exist (valid as of January 2024): Excel: http://www.ni.com/example/27944/en/ MATLAB: https://www.mathworks.com/matlabcentral/fileexchange/30023-tdms-reader The Excel plugin is recommend to get a quick overview of the data. The UH data is organized by directory name, in which the sub-directories for each experiment contains a directory whose name defines the wave height and period for the experimental data within. For example, a directory name "H02_T0275" corresponds to an experiment with wave height 0.1m and a period of 2.75s. For random wave data, the gamma value is also included in the directory name. For example, a directory name "H02_T0225_G18" corresponds to an experiment with a significant wave height of 0.2m, a peak period of 2.25s, and a gamma value of 1.8, with each spectra being a TMA spectrum. For the free decay experiments, the directory name is defined by the initial angular displacement. For example, a directory name "ang05_run01" corresponds to an experiment with an initial angular displacement of 5 degrees. There is a dataset in the UH data for each corresponding experiment defined in the OSU DAQ logs. The ".tdms" data is output from the DAQ at fixed intervals. Therefore, if multiple files are contained within the folder, the data will need to be stitched together. Within the UH dataset, there are two input channels from the OSU DAQ providing a random square wave signal for time synchronization ("ENV-WHT-0010") and a high/low signal ("ENV-WHT-0012") to identify when the wave maker is active (+5V). The UH data is logged as a collection of channel outputs. Channels not in use for the OSU testing (either Phase I or Phase II) are marked "nan" below. If the sensor is disconnected, it will record noise throughout the experiment. Below are the channel definitions in terms of what they measure: GPS Time = time CYL-POS-0001 = position between flap and fixed reference CYL-LCA-0001 = force between flap and hydraulic cylinder REC-LPT-0001 = nan REC-HPT-0001 = nan REC-HPT-0002 = nan REC-HPT-0003 = nan HHT-HPT-0001 = pressure at exhaust ("head" only) REC-FQC-0001 = nan REC-FQC-0002 = nan HHT-FQC-0001 = flow at exhaust ("head" only) ENV-WHT-0001 = nan ENV-WHT-0002 = nan ENV-WHT-0003 = nan ENV-WHT-0010 = random signal from OSU DAQ ENV-WHT-0012 = high/low signal from OSU DAQ Also included is a calibration curve to convert the string pot data to flap pi...

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Field and Model Data Associated with the Manuscript “Drivers of Streamflow Intermittency in Humid Regions: 1. Evaluating Above- and Below-ground Controls of Flow Persistence in a Forested Catchment”

This package contains field data, modeling files, and scripts supporting the investigation of the drivers of streamflow intermittency in a forested catchment. It includes the field data collected from electrical resistivity tomography (ERT) surveys, ground penetrating radar (GPR), continuous self-potential (SP) monitoring, electromagnetic (EM) imaging, groundwater and stilling well. In addition, it contains the data and results of the coupled water- and electrical-flow model developed using the COMSOL Multiphysics and Advanced Terrestrial Simulator (ATS), as well as software files and Jupyter notebooks used to process the data and generate figures in the manuscript submitted for peer review. The data archive is organized in the following directories: 1) Climate Includes hourly precipitation and daily evapotranspiration time series (2024 – 2025) provided as CSV files, alongside a text file detailing dataset units. 2) Coupled_model Contains two subfolders: Synthetic and Field_Application subfolder. Synthetic subfolder contains the ATS XML input script (can be opened using any code editor) for the four synthetic hydrological cases tested (Connected and gaining, Connected and losing, Disconnected and losing, and dry stream). It also includes other experimental cases to test the influence of precipitation and concentration gradient. For each synthetic case, the flow model simulation is executed using the ATS XML scripts and the included Python script (generate_data_set.py) to convert ATS output to COMSOL-ready input. COMSOL Multiphysics template (.mph can be opened with the commercial software COMSOL and requires a license) is executed using the ATS output data to simulate the potential field. It also includes the Synthetic_model_plot.ipynb (can be opened using any code editor) to visualize the SP result and generate manuscript figures. The data subfolder contains mesh files to run both the ATS (.exo and .stl files can be viewed using Paraview; .h5 files can be opened using HDFView software and h5py Python package) and COMSOL models. Field_Application subfolder contains two subfolders: ES_MDA_inversion and Final_Model. ES_MDA_inversion contains the Python script (.py can be opened using any code editor) and SP observation data used to run the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) inversion sequence to get the optimal model parameters. The Final_model subfolder contains the ATS XML input scripts, data files, output data for the two SP sites. The same workflow steps outlined for the Synthetic subfolder apply here. It also contains the Jupyter notebook (Plot_final_calib.ipynb) to visualize the results of the modeled SP, stream-groundwater exchange and moisture content. 3) Discharge Includes the electrical conductivity (EC) time series (provided as CSV files) from salt slug injections. It also includes the Jupyter notebook (Discharge_process.ipynyb) used to estimate discharge. All discharge measurements collated into rating_curve_processed.csv 4) EM Contains the CSV file of the EM data from the DUALEM-42, including spatial coordinates (x, y, z), apparent conductivity, and in-phase measurements at 2 m coil separations for horizontal coplanar (HCP) and perpendicular (PRP) geometries. 5) ERT Contains raw resistivity data (provided as CSV files), spatial location of each of the electrodes (provided as CSV files), and files used for the resistivity inversion (.resipy can be opened with the open-source ResIPy software). 6) GPR Includes GPR field datasets collected at 100 MHz and 250 MHz antenna frequencies, along with the processing/interpretation project file (GPR_process.gpz can be viewed using EKKO_Project 6, a commercial software by Sensors & Software that requires a license). 7) Slug_test Includes the slug test data at all the groundwater wells provided as CSV files, as well as the Jupyter notebook (Slug_test.ipynb) for calculating hydraulic conductivity. 8) SP Contains the SP data collected in field at the two SP sites (one in the perennial reach and the other in the intermittent reach), provided as DAT files. 9) Well_data Contains two subfolders: 1) Raw, which provides unprocessed pressure, electrical conductivity and temperature timeseries downloaded from the loggers in all the groundwater and stilling wells, and 2) Processed, which contains sorted, QA/QC timeseries data for each well. The data archive also contains data_process.ipynb, a Jupyter notebook used for field data analysis and generating figures (plotting well, SP, climate, and discharge data, as well as calculating head gradient at sites with nested groundwater wells). It also includes DTW.ipynb, a Jupyter notebook containing the code for the dynamic time warping (DTW) with sliding window to evaluate SP signal synchronicity.

ATS↗