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DOE OSTI2021

An adaptable technique for comparative image assessment: Application to crosswell electromagnetic survey design for fluid monitoring

Reservoir integrity stewardship accompanying carbon capture and sequestration considers fluid extraction and reinjection as a risk-mitigating method against overpressuring that could lead to caprock damage and ensuing [Formula: see text] leakage. Crosswell electromagnetics offers a technically viable monitoring method with the spatial volume coverage necessary for reservoir-encompassing pressure management. However, a certain logistic dilemma for deep gas sequestration into saline and thus electrically conductive aquifers is that crosswell magnetic-field measurements underperform in the imaging of more resistive plume bodies, further exacerbated when vertical arrays intersect, as opposed to surround, plumes. Furthermore, comparative synthetic-data plume imaging of such scenarios rates the information content of magnetic-field versus electric-field 3D crosswell layouts for reservoir and infrastructure conditions of a representative pilot site in a coastal area in Florida. The image quality of the resulting plume replications can be ranked numerically through a newly proposed semblance qualifier, appraising the model goodness of fit to a given reference. In contrast to common least-squares measures for goodness of fit, the semblance formulation uses classifying logistic function types, thus enabling a better distinction of predefined anomaly features.

58 GEOSCIENCES↗

DOE OSTI2023

Proton imaging of high-energy-density laboratory plasmas

Proton imaging has become a key diagnostic for measuring electromagnetic fields in high-energy-density (HED) laboratory plasmas. Compared to other techniques for diagnosing fields, proton imaging is a measurement that can simultaneously offer high spatial and temporal resolution and the ability to distinguish between electric and magnetic fields without the protons perturbing the plasma of interest. Consequently, proton imaging has been used in a wide range of HED experiments, from inertial-confinement fusion to laboratory astrophysics. An overview is provided on the state of the art of proton imaging, including a discussion of experimental considerations like proton sources and detectors, the theory of proton-imaging analysis, and a survey of experimental results demonstrating the breadth of applications. As a result, topics at the frontiers of proton-imaging development are also described, along with an outlook on the future of the field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Time and space resolved diagnostics for plasma thermal-chemical instability of fuel oxidation in nanosecond plasma discharges

Here, an instability in a nanosecond pulsed dielectric barrier discharge plasma occurring in methane–oxygen–argon mixtures is experimentally observed and measured by 1D time-resolved in situ electric field measurements. This instability, which seems to be created by the positive feedback between plasma kinetics and plasma-assisted low temperature fuel oxidation, is studied using electric field induced second harmonic generation and direct ICCD imaging. The rapid formation of streamers from an originally uniform discharge appears to be caused by the chemical kinetics of plasma-assisted low temperature methane oxidation, which may be resulting in a new type of plasma instability: a thermal-chemical instability. The results also revealed that the occurrence of this possible thermal-chemical instability in a reactive flow drastically changes the plasma properties by forming multiple secondary discharges and possibly leads to micron-sized non-uniform electric distributions. Single shot uncalibrated measurements of the electric field of the micron sized streamers appears to show much greater strengths than the average electric field. Furthermore, one-dimensional data analysis shows the positive feedback loop between the streamers and the low temperature plasma assisted oxidation chemistry in the plasma thermal-chemical instability. The present finding advances the understanding plasma instability growth and provides a new way to control plasma uniformity in plasma-assisted combustion and plasma fuel reforming.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Nano-imaging of strain-tuned stripe textures in a Mott crystal

The 4d transition metal perovskites Ca n+1 Ru n O 3n+1 have attracted interest for their strongly interacting electronic phases showing pronounced sensitivity to controllable stimuli like strain, temperature, and even electrical current. Through multi-messenger low-temperature nano-imaging, we reveal a spontaneous striped texture of coexisting insulating and metallic domains in single crystals of the bilayer ruthenate Ca 3 (Ti x Ru 1-x ) 2 O 7 across its first-order Mott transition at T ≈ 95K. We image on-demand anisotropic nucleation and growth of these domains under in situ applied uniaxial strain rationalized through control of a spontaneous Jahn-Teller distortion. Our scanning nano-susceptibility imaging resolves the detailed susceptibility of coexisting phases to strain and temperature at the transition threshold. Comparing these nano-imaging results to bulk-sensitive elastoresistance measurements, we uncover an emergent “domain susceptibility” sensitive to both the volumetric phase fractions and elasticity of the self-organized domain lattice. Our combined susceptibility probes afford nano-scale insights into strain-mediated control over the insulator-metal transition in 4d transition metal oxides.

36 MATERIALS SCIENCE↗

DOE OSTI2024

First Sagittarius A* Event Horizon Telescope Results. VII. Polarization of the Ring

Abstract The Event Horizon Telescope observed the horizon-scale synchrotron emission region around the Galactic center supermassive black hole, Sagittarius A* (Sgr A*), in 2017. These observations revealed a bright, thick ring morphology with a diameter of 51.8 ± 2.3 μas and modest azimuthal brightness asymmetry, consistent with the expected appearance of a black hole with mass M ≈ 4 × 106 M ⊙. From these observations, we present the first resolved linear and circular polarimetric images of Sgr A*. The linear polarization images demonstrate that the emission ring is highly polarized, exhibiting a prominent spiral electric vector polarization angle pattern with a peak fractional polarization of ∼40% in the western portion of the ring. The circular polarization images feature a modestly (∼5%–10%) polarized dipole structure along the emission ring, with negative circular polarization in the western region and positive circular polarization in the eastern region, although our methods exhibit stronger disagreement than for linear polarization. We analyze the data using multiple independent imaging and modeling methods, each of which is validated using a standardized suite of synthetic data sets. While the detailed spatial distribution of the linear polarization along the ring remains uncertain owing to the intrinsic variability of the source, the spiraling polarization structure is robust to methodological choices. The degree and orientation of the linear polarization provide stringent constraints for the black hole and its surrounding magnetic fields, which we discuss in an accompanying publication.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Anomalous contrast in broadband THz near-field imaging of gold microstructures

THz scattering-type scanning near-field microscopy (s-SNOM) has become a powerful technique for measuring carrier dynamics in nanoscale materials and structures. Changes in a material’s local THz reflection or transmission can be correlated to changes in electrical conductivity. Here, we perform tip-based THz nano-imaging of subwavelength gold nanostructures and demonstrate image contrast unrelated to any spatially varying material properties. We show that the specific physical configuration of the gold structures can have a strong influence on local excitations which can obscure the sample’s true dielectric response, even in cases where the relevant structures are far outside of the spatial region probed by the AFM tip.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Coal-derived graphene foam and micron-sized silicon composite anodes for lithium-ion batteries

Silicon-based materials demonstrate significant potential as lithium-ion batteries (LIBs) anode, but their expansion and degradation present engineering design challenges for commercial application. In this study, a porous three-dimensional (3D) graphene and micron-sized silicon composite anode (Si@G foam) was synthesized using humic acid (HA) derived from coal as a graphene precursor. In-situ formation of graphene structure through reducing HA was confirmed by Raman spectra. The reduced HA (rHA) shows similar electrical conductivity compared to the commercial conductive carbon. SEM images depict a 3D skeleton of coal-derived graphene, with silicon particles distributed on the 3D graphene foam's internal surface. The Si@G composite-anode displays a good reversible capacity of ~656 mAh/g at a current density of 50 mA/g, as well as a high-rate capability of ~433 mAh/g at a current density of 800 mA/g, and outstanding cycling stability –89.8% capacity retention after 300 cycles, which is significantly higher than that of other foam structures. During lithiation and de-lithiation, the graphene foam serves as a matrix of electrical conductors and a volume expansion support for silicon. This 3D graphene network will be beneficial for developing advanced silicon-based anodes for high-performance LIBs.

25 ENERGY STORAGE↗

DOE OSTI2026

Space-Charge-Limited van der Waals Spin Transistor

Integrating semiconducting and magnetic materials could combine transistorlike operation with nonvolatility and enable architectures such as logic in memory. Here, in this work, we employ correlated electrical transport and scanning nitrogen-vacancy center magnetic imaging to elucidate a spin transistor concept that amalgamates vertical and lateral hopping transport inside a 2D antiferromagnetic semiconductor, mechanistically distinct from vertical tunneling devices. Our device, based on a monolayer-bilayer junction in CrSBr, displays giant, gate-tunable magnetoresistance driven by the dual action of electrostatic doping on space-charge-limited lateral conduction and interlayer exchange coupling. Moreover, we visualize a field-trainable, layer-sharing effect that selects between coherent or domain-wall reversal at the spin-flip transition, enabling multilevel, memristive conductance states. Our layer-dependent space charge mechanism for convergent electrical and magnetic control opens opportunities to address limitations in contemporary computing.

2-dimensional systems↗

DOE OSTI2022

Surface 3D Electrical Resistivity Tomography Inversion of 2005 BC Cribs and Trenches Datasets

Hydrogeophysics, Inc. (HGI) conducted an electrical resistivity tomography (ERT) dataset at the BC Cribs and Trenches site, located in the Central Plateau of the Hanford Site. The 20 trenches and 6 cribs received large volumes of liquid inorganic waste in the 1950s, resulting in a large inventory of contaminants in the vadose zone. The objective of the ERT survey was to map plume extents resulting from the legacy discharges. The HGI interpretation of the resistivity data was performed using geometric inversion to interpolate 2D lines into a 3D image. To demonstrate a newly developed geophysical code capability (E4D), the resistivity data were re-processed to fit a full 3D model of the bulk electrical conductivity. This proof-of-concept model inversion was executed in calendar year 2011, as the large dataset was well-suited for the use of high-performance computing. The 3D re-processing of the BC Cribs and Trenches ERT data conducted in 2011 resolved the true bulk electrical conductivity. This means that all of the resistivity data were fit to a single model of the bulk electrical conductivity, with true horizontal and vertical dimensions. This differed from the HGI data interpretation approach that used geometric inversion to process 2D lines independently, which were then interpolated into a 3D image. Both the full 3D re-processing and the 2D interpolation to a 3D image demonstrated a higher electrical conductivity observed immediately beneath the trenches and cribs. The electrical conductivity is strongly correlated with nitrate concentrations, indicating the presence of nitrate and other co-located contaminants.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Sputter-Deposited Mo Thin Films: Multimodal Characterization of Structure, Surface Morphology, Density, Residual Stress, Electrical Resistivity, and Mechanical Response

Multimodal datasets of materials are rich sources of information which can be leveraged for expedited discovery of process–structure–property relationships and for designing materials with targeted structures and/or properties. For this data descriptor article, we provide a multimodal dataset of magnetron sputter-deposited molybdenum (Mo) thin films, which are used in a variety of industries including high temperature coatings, photovoltaics, and microelectronics. In this dataset we explored a process space consisting of 27 unique combinations of sputter power and Ar deposition pressure. Here, the phase, structure, surface morphology, and composition of the Mo thin films were characterized by x-ray diffraction, scanning electron microscopy, atomic force microscopy, and Rutherford backscattering spectrometry. Physical properties—namely, thickness, film stress and sheet resistance—were also measured to provide additional film characteristics and behaviors. Additionally, nanoindentation was utilized to obtain mechanical load-displacement data. The entire dataset consists of 2072 measurements including scalar values (e.g., film stress values), 2D linescans (e.g., x-ray diffractograms), and 3D imagery (e.g., atomic force microscopy images). An additional 1889 quantities, including film hardness, modulus, electrical resistivity, density, and surface roughness, were derived from the experimental datasets using traditional methods. Minimal analysis and discussion of the results are provided in this data descriptor article to limit the authors’ preconceived interpretations of the data. Overall, the data modalities are consistent with previous reports of refractory metal thin films, ensuring that a high-quality dataset was generated. The entirety of this data is committed to a public repository in the Materials Data Facility.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Space-Time Quantum Information from the Entangled States of Magnetic Molecule (STI Product)

This collaborative project combines synthesis, measurement, and theory by three faculty members at the Eddleman Quantum Institute of UC Irvine to effectively investigate the quantum properties of molecules in the space, time, and frequency domains. Through synthetic chemistry, molecules are tailored for their magnetic and coherent properties. By combining femtosecond (fs) terahertz (THz) light and a continuous wave (cw) THz laser with a low temperature scanning tunneling microscope (STM), quantum phenomena are probed with simultaneous femtosecond temporal and atomic-scale spatial resolution. In particular, the invention of the quantum superposition microscope (QSM) advances quantum sensing for enhanced spectroscopy and imaging capabilities. Coupling theory to the experimental efforts offers a deeper understanding and predictive power for the molecular systems. The phenomena of superposition, entanglement, and coherence is central to quantum information science and can be realized in qubit states. Many systems can be modeled by a double-well potential in which two levels are formed in the two lowest energy states interacting with the environment and external radiation. In focusing on molecules as two-level systems, the underlying expectation is that their tunable composition and structure allows an effective parameter space to optimize their use as qubits for quantum sensing and computing. The THz radiation induces the superposition between the two states, appearing as temporal oscillations that damp in amplitude. Enhanced spectroscopy and imaging in the time and frequency domains is achieved through the extreme sensitivity of the frequency and damping of coherence of two-level systems to its environment. A single hydrogen molecule trapped in the STM tunneling gap experiences a double-well potential and absorption of THz femtosecond pulses of light creates the superposition of its two levels, appearing as damped oscillations in the light induced direct current (DC). The oscillation frequency depends sensitively on the electric field distribution of the copper nitride (Cu 2 N) surface, through the Stark effect, and associated with the different charge distributions at the copper and nitrogen sites and in between. This QSM can resolve variation in the surface electric field with 0.02 nanometer resolution. In addition, the single hydrogen molecule entaes with nearby hydrogen molecules as seen in the avoided level crossings of energy (oscillation frequency) versus the voltage across the tunneling gap. Thus, the first application of the QSM senses and images the surface electric field at the atomic scale. Results from this project advance fundamental understanding of quantum phenomena, develop novel synthesis, measurement, and theory, provide the knowledge foundation for molecule-based qubits and sensing that enable the development of the QSM and emergent technologies. This project trained researchers in quantum information science, extended knowledge in classrooms, and outreached to the community.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Nonnuclear Experimental Capabilities to Support Design, Development, and Demonstration of Microreactors

This work provides a summary of selected experimental capabilities being developed to support nonnuclear testing and demonstration of technology in support of microreactors under the U.S. Department of Energy’s (DOE’s) Microreactor Program. Major capabilities include the Single Primary Heat Extraction and Removal Emulator (SPHERE) and the Microreactor Agile Non-nuclear Experimental Test Bed (MAGNET). The SPHERE facility allows for controlled testing of the steady-state and transient heat rejection capabilities of a single heat pipe using electrical heaters that simulate nuclear heating. The facility is capable of monitoring axial temperature profiles along the heat pipe and surrounding test articles during startup, steady-state operation, and transients. Instrumentation includes noncontact infrared thermal imaging, surface thermocouples, spatially distributed fiber optic temperature and strain sensors, electrical power meters, and a water-cooled, gas-gap calorimeter for quantifying heat rejection from the heat pipe. The facility can be operated under both vacuum and inert-gas conditions. The MAGNET facility is a large-scale, 250-kW electrically heated microreactor test bed to enable nonnuclear experimental evaluation of a variety of microreactor concepts. It can be supplied to electrically heat a scaled section of a microreactor and further test the capabilities of heat rejection systems. The initial MAGNET experiments will support technology maturation and reduce uncertainty and risk associated with the design, operation, and deployment of monolithic heat pipe–based reactors. However, this test bed can broadly be applied to multiple microreactor concepts to evaluate a wide range of thermal-hydraulic and structural phenomena such as interface coupling with power conversion units and other collocated systems. MAGNET can evaluate integral thermomechanical effects during electrical heating of an array of heat pipes in a larger test article. Examples of initial testing will include thermal stresses in the monolith and the impact of debonding of a heat pipe from the core block and how that failure could impact surrounding heat pipes, i.e., understanding the potential for cascading failure. This work also discusses some modeling capabilities that can support experiment design, analysis, and interpretation, including the heat pipe code Sockeye and a comparison of thermal-structural simulations performed using ABAQUS and STAR-CCM+.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Voltage-induced magnetic domain evolution in a phase-change material

Applying voltage to metal–insulator transition (MIT) materials allows electrical actuation of the local electronic phase state. In MIT systems that have the electronic order coupled with the magnetic order, voltage switching of the electronic phase state can also enable the electrical manipulation of magnetic properties. In this work, we utilized x-ray magnetic circular dichroism photoemission electron microscopy (XMCD-PEEM) to investigate the control of magnetic domain configurations in ferromagnetic MIT electrical switches. For applied voltages above a threshold value, the XMCD-PEEM images show that the magnetic domains separate into two distinct regions: one with a high contrast (white/black), indicating well-defined micrometer-scale magnetic domains with a component of their magnetization aligned parallel/antiparallel to the x-ray helicity, and the other with different shades of intermediate contrast (gray). Significant changes in magnetic domain configurations upon voltage biasing were only observed in these gray regions. Furthermore, the voltage-induced magnetic domain separation was found to be bias polarity-dependent, with the gray regions expanding from the opposite sample edge when the applied voltage polarity was reversed. This polarity-dependent electrical control of magnetic domain configurations during the MIT switching opens alternative opportunities in memory applications for magnetic MIT switching materials.

42 ENGINEERING↗

DOE OSTI2022

Geophysical Characterization and Monitoring of the 200 Area Treated Effluent Disposal Facility to Support Permit Renewal; TEDF Geophysical Monitoring

The Treated Effluent Disposal Facility (TEDF), located in the 200 East Area of the Hanford Site, is a site where non-hazardous and non-radioactive liquid wastes are disposed into two state-permitted infiltration basins. In 2016, the Washington State Department of Ecology denied a permit renewal request for TEDF due to the inability to adequately assess the impact of TEDF discharge water on the underlying groundwater quality. TEDF overlies the relatively impermeable Ringold Lower Mud (RLM) unit, whose upper contact lies in the vadose zone approximately 30 m below ground surface and approximately 10 m above the water table boundary. The RLM is assumed to isolate TEDF discharge water from the natural groundwater aquifer, which is monitored using wellbores screened below the RLM. Therefore, samples collected from monitoring wells near TEDF are not considered representative of TEDF discharge water. Rather, TEDF discharge water is assumed to mound on top of the RLM to form a perched aquifer. To support permitting of the TEDF, a new monitoring well is required that can be used to sample water from the presumed perched water aquifer above the RLM. Ideally, the screened section of the well would be located at the peak of the perched water mound(s), which presumably occurs at the point of maximum vertical flux from TEDF to the RLM, or equivalently where the dominant infiltration flow paths reach the RLM. This report describes how time-lapse 3D electrical resistivity tomography (ERT) was used in conjunction with nominal TEDF discharge operations to image the dominant flow paths from each pond to the RLM. Results are summarized in Figure ES.1. Figure ES.1A shows a satellite image of the TEDF overlain by an array of surface ERT electrodes. The solid and dashed black circles denote the zones of maximum vertical flux at the RLM within the south and north ponds, respectively, and presumably the regions where perched water peaks during discharge. Figure ES.1B shows time-lapse difference imaging results approximately 15 days after switching discharge from the south pond to the north pond. Blue iso-surfaces beneath the north pond denote regions of increasing bulk electrical conductivity caused by increasing saturation due to infiltrating water. Red iso-surfaces beneath the south pond denote regions that were previously saturated during the south pond discharge and are now de-saturating, causing a decrease in bulk electrical conductivity. In both cases, the zones of maximum change mark the dominant flow paths to the RLM. Figure ES.1C shows time-lapse imaging results approximately 15 days after switching discharge from the north pond to the south pond. In this case, blue iso-surfaces mark the dominant flow paths to the RLM from the south pond. The red iso-surfaces mark the dominant flow paths that existed during discharge to the north pond. The regions of maximum change in bulk conductivity (due to saturation or desaturation) that mark the primary flow paths are equivalent in both cases and denoted by the dashed solid and black circles. If a perched water zone forms on the RLM, it is likely to mound within or near the dashed circle during discharge to the north pond, and in the solid circle during discharge to the south pond. In other words, if perched water mounding occurs, the circles mark the optimum locations suggested by the ERT imaging for monitoring boreholes to be placed, enabling samples to be collected that are representative of TEDF discharge impacts on groundwater quality.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Nanometer-Scale Measurement of Grid Finger Electrical Conduction Pathways to Detect Series Resistance Degradation of Utility-Scale Silicon Solar Cells

Here, we report on an electrical conduction mechanism for series resistance (Rs) degradation observed in a utility-scale photovoltaic power plant by imaging the local resistance at the Ag/Si interface of the c-Si front metallization. Scanning spreading resistance microscopy imaging with nanometer (nm) scale spatial resolution revealed that the number of point or small-area electrical contacts decreased substantially in a degraded cell compared to an unaffected cell, demonstrating the root cause of Rs degradation. The decrease in electrical contacts is likely caused by a structural change - the Ag particles in contact with the Si cell (or via a nm-thickness tunneling glass layer) aggregate into bulk Ag, and a highly resistive glass frit forms a belt shape at the Ag/Si interface. This resistive belt, with a thickness of ~1 um, blocks the current conduction from the cell emitter to the Ag grid. Our microscopy results help to unravel unambiguously the degradation mechanism and demonstrate an example of the multiscale characterization approach for understanding degradation in field-weathered PV module.

14 SOLAR ENERGY↗

DOE OSTI2026

Nanometer Scale Imaging to Develop Quantitative Descriptors of Bipolar Membrane Junction Structure

Swings in pH can be achieved by electrically polarizing a bipolar membrane (BPM) to drive water dissociation at the BPM junction for electrochemical conversion and separation processes. BPM junction design is critical to tailor performance for specific applications; however, characterization techniques capable of resolving the nanometer scale physical structure of the junction are limited. We present sample preparation, imaging, and analysis workflows that are adaptable to a variety of BPM junction architectures. Atomic force microscopy produces BPM junction images with nanometer scale lateral resolution for samples with and without a graphene oxide water dissociation catalyst in the junction. Subsequent image segmentation and analysis quantify line edge roughness and catalyst layer thickness as descriptors of junction structure. Comparison of pre- and post-electrodialysis junctions suggests electric field-induced alignment of catalyst particles during electrodialysis. This characterization workflow can inform manufacturing protocols, computational modeling, and failure mode analysis for next-generation BPMs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Imaging of a van der Waals spin-orbit torque system using spin ensembles in hBN

Recently, optically active spin defects embedded in two-dimensional (2D) van der Waals (vdW) crystals have emerged as a transformative quantum sensing platform to explore cutting-edge materials science. Taking advantage of excellent solid-state integrability, this new class of spin defects can be readily arranged in nanoscale proximity to target materials, showing great promise for realizing in-situ quantum sensing of microscopic spin and charge behaviors in vdW heterostructures. Here we report hexagonal boron nitride-based quantum imaging of field-free deterministic magnetic switching and electric current distributions in an all-vdW spin-orbit torque (SOT) system. By visualizing variations of nanoscale magnetic stray field profile of room-temperature 2D magnet Fe 3 GaTe 2 under different SOT conditions, we show how the magnetic switching evolves from deterministic to stochastic behavior due to the interplay between spin orientations, anisotropy and Joule heating. Micromagnetic simulations rationalize our results well, revealing the role of field-like SOT in inhibiting thermal fluctuation driven stochastic switching and chaotic multi-domain competition. This understanding, which is otherwise difficult to access by conventional transport measurements, offers valuable insights into material design, testing, and performance evaluation of next-generation vdW spintronic devices.

Imaging techniques↗

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↗