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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

The electrochemical generation of useful chemical species from lunar materials

Electrochemical cells have been fabricated for the simultaneous generation of oxygen and lithium from a Li2O-containing molten salt (Li2O-LiCl-LiF). The cell utilizes an oxygen vacancy conducting solid electrolyte, yttria-stabilized zirconia (YSZ), to effect separation between oxygen evolving and lithium reduction half-cell reactions. The cell, which operates at 700-850 C, possesses rapid electrode kinetics at the lithium-alloy electrode with exchange current density values being greater than 60 mA/sq cm. When used in the electrolytic mode, lithium produced at the negative electrode would be continuously removed from the cell for later use (under lunar conditions) as an easily storable reducing agent for the chemical refining of lunar ores. Because of the high reversibility of this electrochemical system, it has also formed the basis for the lithium-oxygen secondary battery system which possesses the highest theoretical energy density yet investigated.

Tsai, Kan J.↗
NASA NTRSDate not supplied

Hall Magnetohydrodynamic Power Generation and Drag Augmentation Using A Coaxial-Electrode Configuration During Hypersonic Entry

For interplanetary missions, a spacecraft must reduce its relative velocity from orbital speeds of multiple kilometers per second to zero in order to safely land on the surface of a planetary body. During this phase known as planetary reentry, the spacecraft undergoes high speed above Mach 5 up to Mach 30. This hyper-sonic flight regime imposes a strong bow shock in front of the vehicle that imparts extreme aerodynamic and thermal effects. In addition, during portions of this regime, a plasma is formed in the post-shock flow-field around the vehicle due to these high temperatures. Interaction between an applied magnetic field with this electrically conductive fluid, or magnetohydrodynamic (MHD) interaction, can be utilized to convert kinetic energy from the flow into storable electrical energy. Onboard MHD energy generation can benefit the spacecraft by increasing the power of active thermal control components and vehicle control systems during reentry. MHD interaction also exerts a Lorentz body force on the plasma flow that can be manipulated to act as an additional drag force through the vehicle body. MHD drag augmentation can benefit the spacecraft with an additional control mechanism that operates without moving parts. This can be utilized at higher altitudes and subsequently reduce convective heat transfer to the vehicle. MHD interaction with plasma flow suggests that both power generation and drag augmentation can be integrated together in one design. Modern numerical studies have only demonstrated the viability and potential of MHD energy generation and drag modulation separately for implementation into future spacecraft designs [1] [2] [3]. Steeves et. al. presented one possible generator design specifically for reentry vehicles that utilized a modular panel with two embedded electromagnets and two extruding electrodes for air plasma to flow between. Fujino et. al. presented results that indicated increased total drag with a permanent magnet embedded in the blunt body of the Orbital Reentry Experiment (OREX) trajectory. Furthermore, experimental investigations of these two MHD applications have been limited and separate due to the difficult technical nature of experimental de-sign and analysis. For MHD energy generation, there have been two designs which used a cylindrical fore-body with two embedded permanent magnets and two outward facing curved electrodes for tangency to an artificially ionized plasma that flowed along the body length [4] [5]. The first design was studied using an air microwave (MW) ionized supersonic plasma wind tunnel and the second design used radio frequency (RF) ionization of Argon, but both physically demonstrated the feasibility of MHD energy generation in reentry plasma conditions. For MHD drag modulation, one study involved a small-scale cylindrical blunt body embedded with permanent magnets immersed in plasma flow in an arcjet tunnel [6], and another utilized a spherical permanent magnet enclosed with a spherical forebody that was evaluated in a shock expansion tunnel [7]. Both experimental studies provided physical evidence of drag augmentation due to MHD interactions. Therefore, because of the multi-faceted effects of MHD along with both applications having been deemed feasible and beneficial during reentry, this indicates that a coupled power generation and drag modulation design could be achievable. The axi-symmetric nature of blunt bodies for reentry suggests that a spherical set of two ring electrodes near the nose along the body axis. Based on first principles, flow along the walls of the spherical body can then produce MHD interactions between the electrodes. As a result, two currents are generated: a Hall current that produces power and a primary inductive current that augments the drag force. The goal of this work is to provide a simulated design of a coaxial-electrode con-figuration for power generation and drag modulation for experimental testing.

E. Leong↗
DOE OSTI2025

Electrochemical Direct Air Capture of CO 2 Using Redox-Active Textiles

We have used vapor phase chemistry to construct a textile electrode that comprises an immobilized PCET agent, poly(1-aminoanthraquinone) (PAAQ) encapsulated within a conductive polymer, and incorporated it into CO 2 -separating electrochemical flow cells. This system facilitates pH-swing-driven carbon capture from a 1% CO 2 feed and air, with the former at a competitively low energetic cost of 202 kJ/molCO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

The electrochemical generation of useful chemical species from lunar materials

Electrochemical cells have been fabricated for the simultaneous generation of oxygen and lithium from a Li2O containing molten salt (Li2O-LiCl-LiF). The cell utilizes an oxygen vacancy conducting solid electrolyte, yttria-stabilized zirconia (YSZ), to effect separation between oxygen evolving and lithium reduction half-cell reactions. The cell, which operates at 700 to 850 C, possesses rapid electrode kinetics at the lithium-alloy electrode with exchange current density (i sub o) values being greater than 60mA sq cm. When used in the electrolytic mode, lithium produced at the negative electrode would be continuously removed from the cell for later use (under lunar conditions) as an easily storable reducing agent (compared to H2) for the chemical refining of lunar ores. Because of the high reversibility of this electrochemical system, it has also formed tha basis for the lithium oxygen secondary battery system which possesses the highest theoretical energy density yet investigated.

Tsai, Kan J.↗
DOE OSTI2021

Effect of Temperature and FEC on Silicon Anode Heat Generation Measured by Isothermal Microcalorimetry

Isothermal microcalorimetry (IMC) was used to better understand parasitic reactions and heat generation from Si electrodes in the first 10 cycles using Li/Si half cells. Heat generation from cell polarization (ohmic heat), entropy changes (reversible heat), and parasitic reactions (parasitic heat) are separated and quantified. The effect of temperature and fluoroethylene carbonate (FEC) as an electrolyte additive are also explored. Our results show that at the C/10 cycling rate used here, ohmic heat makes the largest contribution to overall heat generation while reversible heat is the smallest. Ohmic heat generation increases with cycle number due to increasing internal resistance, though the effect is smaller for cells with FEC. Interestingly, capacity-normalized parasitic heat generation is largely unaffected by changes in temperature despite differing reaction kinetics. We show that this is caused by a decrease in average parasitic reaction enthalpy as temperature is increased. Further, cells with FEC display higher average parasitic reaction enthalpy than cells without. The average parasitic reaction enthalpies for all the Si electrodes we tested were lower than previously reported values for graphite, indicating that the SEI formed on Si is less stable.

25 ENERGY STORAGE↗
NASA NTRS2005

Modifications of Fabrication of Vibratory Microgyroscopes

A micromachining process for the fabrication of vibratory microgyroscopes from silicon wafers, and aspects of the microgyroscope design that are inextricably linked with the fabrication process, have been modified in an effort to increase production yields from perspectives of both quantity and quality. Prior to the modifications, the effective production yield of working microgyroscopes was limited to one or less per wafer. The modifications are part of a continuing effort to improve the design and increase production yields to more than 30 working microgyroscopes per wafer. A discussion of pertinent aspects of the unmodified design and the unmodified fabrication process is prerequisite to a meaningful description of the modifications. The design of the microgyroscope package was not conducive to high yield and rapid testing of many microgyroscopes. One of the major impediments to high yield and testing was found to lie in vibration- isolation beams around the four edges of each microgyroscope, which beams were found to be unnecessary for achieving high resonance quality factors (Q values) characterizing the vibrations of petallike cantilevers. The fabrication process included an 8- m-deep plasma etch. The purpose of the etch was to create 8- m vertical gaps, below which were to be placed large gold evaporated electrodes and sensing pads to drive and sense resonant vibrations of the "petals." The process also included a step in which bridges between dies were cut to separate the dies. The etched areas must be kept clean and smooth (free of debris and spikes), because any object close to 8 m high in those areas would stop the vibrations. However, it was found that after the etch, there remained some spikes with heights that were, variously, almost as high or as high as the etch depth. It also was found that the cutting of bridges created silicon debris, some of which lodged in the 8- m gaps and some of which landed on top of the petals. The masses added to the petals by the debris altered resonance frequencies and/or Q values to unacceptable degrees. Hence, the spikes and the debris have been conjectured to cause most of the observed malfunctions of newly fabricated microgyroscopes. Another pertinent aspect of the unmodified design and process was the fabrication of electrodes and the 8- m capacitance gap on a 500- m-thick wafer, and the fabrication of a 3-mm-thick baseplate from another wafer. It was necessary to bond these wafers to each other in an assembly step that was later found to be superfluous in that it could be eliminated by a suitable modification of the design.

Bae, Sam Y.↗
NASA NTRS1989

The electrochemical generation of useful chemical species from lunar materials

The current status of work on an electrochemical technology for the simultaneous generation of oxygen and lithium from a Li2O containing molten salt (Li2O-LiCl-LiF) is discussed. The electrochemical cell utilizes an oxygen vacancy conducting solid electrolyte, yttria-stabilized zirconia, to effect separation between the oxygen evolving and lithium reduction half-cell reactions. The cell, which operates at 700 to 800 C, possesses rapid electrode kinetics at the lithium-alloy electrode with exchange current density values being greater than 60 mA/sq cm, showing high reversibility for this reaction. When used in the electrolytic mode, lithium produced at the negative electrode would be continuously removed from the cell for later use (under lunar conditions) as an easily storable reducting agent (compared to H2) for the chemical refining of lunar ores via the general reaction: 2Li + MO yields Li2O + M where MO represents a lunar ore. Emphasis to this time has been on the simulated lunar ore ilmenite (FeTiO3), which we have found becomes chemically reduced by Li at 432 C. Furthermore, both Fe2O3 and TiO2 have been reduced by Li to give the corresponding metal. This electrochemical approach provides a convenient route for producing metals under lunar conditions and oxygen for the continuous maintenance of human habitats on the Moon's surface. Because of the high reversibility of this electrochemical system, it has also formed the basis for the lithium-oxygen secondary battery. This secondary lithium-oxygen battery system posses the highest theoretical energy density yet investigated.

Tsai, Kan J.↗
DOE OSTI2024

Electrochemical and Chemical Reactivities of Titanium Oxide-Based Materials with a Chloroaluminate Ionic Liquid Electrolyte for Aluminum Batteries

Here, by selecting three different types of electrode materials, we intended to better understand the Al 3+ intercalation chemistry of titanium oxide-based frameworks with an acidic chloroaluminate electrolyte. In agreement with previous reports, we confirmed that the native interstitial sites of anatase TiO 2 are less prone to accommodate Al 3 + than Li + or Na + ions, while introducing cationic vacancies largely increases the electrochemical storage capacity. Upon the first cycle, the highest reversible capacity, up to 277 mAh/g, was obtained for a hydrated layered structure featuring cationic vacancies. Total scattering data showed that the insertion of Al 3+ ions induced a strong distortion of the framework. In addition, combined 27 Al MAS NMR and DFT calculations revealed that in oxy-hydroxylated vacant sites, the coordination mode of Al 3+ ions depends on the arrangement of anions around vacancies inducing the occurrence of 4-, 5-, and 6-fold coordination modes. Further cycling experiments revealed a progressive capacity fading for all electrode materials. Using cyclic voltammetry on the used electrolyte, we evidenced that a partial dissolution has occurred, which is more pronounced for the layered hydrate compound, and that solubilized species are electrochemically active, giving rise to specific signatures in both CVs and galvanostatic experiments. Raman spectroscopy enabled us to characterize these species, which are derived from the Ti-Cl system. The solubilized species, however, eventually precipitated, as shown by a purple deposit observed on the separator and tentatively assigned to TiCl 3 , known to be insoluble in this medium. By providing further information on the Al 3+ intercalation chemistry and a better understanding of the electrochemical and chemical reactivities of electrode materials, this work will enable progress to be made in the development of aluminum-ion batteries.

Al3+-ion insertion chemistry↗
DOE OSTI2022

Multi-layer anodes for high-current applications

In this work, we present a combination of experiments and modeling of a two-layer anode structure designed by EnPower Inc. for high-energy and fast-charge capabilities. The anode consists of lower porosity near the current collector and higher porosity near the separator with comparable active materials in both regions. A pseudo-two-dimensional electrochemical–thermal model was designed to represent the performance of this electrode. Simulations, consistent with experiments, show superior ion transport and lithiation in the multi-layer anode (MLA) compared to a conventional single-layer anode (SLA). Surprisingly, this improved transport in MLA manifests as enhanced cathode performance during high-rate discharge and this, in turn, provides higher energy density for MLA. Similarly, during fast charge, less irreversible lithium is deposited due to this improved transport in MLA, and hence MLA exhibits less capacity fade compared to SLA. Polarization analysis demonstrates marginally lower cumulative overpotential for MLA in different case studies; however, MLA cells maintain a significantly higher capacity in the same conditions and have more than double the cycle life. Further, this means despite the apparently limited polarization benefit provided by MLA; the MLA structure can more reliably be employed in cell designs. Additional design changes are also analyzed by means of the model.

25 ENERGY STORAGE↗
NASA NTRS1982

Precision manipulator heating and cooling assembly compatible with sample transfer

A technique is described for the transfer of a UHV sample system to a precision manipulator. It allows direct sample temperature measurement in a broad range of sample temperatures (150-1750 K) and simultaneously retains the benefit of the additional degree of freedom provided by the precision manipulator flip mechanism. The technique is similar to that reported by Crider (1976) but with several modifications. The pump is mounted at the extreme end of the magnetically coupled linear motion feedthrough (to maximize the separation). Samples are mounted on a threaded circular sample holder, transferred to the flip mechanism of the manipulator. The flip mechanism contains a rear electrode assembly and thermocouple, in direct contact with the sample, and a copper plate and a flexible strap are attached to the receiving block (to facilitate sample cooling).

Outlaw, R. A.↗
NASA NTRS1984

A mathematical model for the iron/chromium redox battery

A mathematical model has been developed to describe the isothermal operation of a single anode-separator-cathode unit cell in a redox-flow battery and has been applied to the NASA iron/chromium system. The model, based on porous electrode theory, incorporates redox kinetics, mass transfer, and ohmic effects as well as the parasitic hydrogen reaction which occurs in the chromium electrode. A numerical parameter study was carried out to predict cell performance to aid in the rational design, scale-up, and operation of the flow battery. The calculations demonstrate: (1) an optimum electrode thickness and electrolyte flow rate exist; (2) the amount of hydrogen evolved and, hence, cycle faradaic efficiency, can be affected by cell geometry, flow rate, and charging procedure; (3) countercurrent flow results in enhanced cell performance over cocurrent flow; and (4) elevated temperature operation enhances cell performance.

Fedkiw, P. S.↗
NASA NTRS1988

A model to predict the removal of oxygen from air using a zirconia solid electrolyte membrane

A finite difference mathematical model has been developed to predict the removal of oxygen from air using a zirconia separation cell. The model predicts the electrical and mass transfer processes in circular disk cells with either axial or radial current flow in the electrodes and in tubular cells with axial current flow in the electrodes. Representative results are presented and discussed.

Marner, W. J.↗
DOE OSTI2024

Selective pseudocapacitive immobilization of REE elements on carbon based electrodes

Current extraction technologies for rare earth elements at ambient conditions are reagent and energy intensive, giving rise to significant quantities of secondary waste streams. Exploration of the removal of common cations from aqueous streams has been undertaken with carbon materials and have shown promising results. However, those promising materials have not been explored extensively for rare earth element capture from aqueous process streams. In this study, a carbon electrode was investigated for the adsorption and immobilization of REE elements from aqueous solutions. Cyclic voltammetry studies of the carbon electrode displayed a pseudocapacitive behavior where it was verified that cation adsorption is accompanied by an electron transfer process. Preliminary tests showed that a current density of 89.1 mA. g -1 , allowed for the pseudocapacitive adsorption (PSA) of Nd 3+ cation without the formation of rare earth hydroxides. Hence, the selective PSA of Nd 3+ was verified in an electrolyte solution with equimolar concentrations of Nd 3+ , Mg 2+ , Li + , Na + and K + , achieving separation factors of 8.6, 1.1, and 10.9 for Nd 3+ /Li + , Nd 3+ /Na + , and Nd 3+ /Mg 2+ , respectively. Analysis of the potential-time curves for the various cations suggests that storage of ions in the electrode involved pore-spacings rather than interlayer spacings and was corroborated by XRD analysis. Specific capacitance as high as >640 F.g -1 for Nd 3+ was also observed for the carbon electrode, with Faradaic efficiencies (FE) of > 20% for Nd 3+ and Mg 2+ , and > 9% for Na + . Furthermore, adsorption capacity of >125 mg g -1 after 4hrs of electrosorption was observed for Nd 3+ . In the presence of the Nd 3+ electrolyte, the electrode achieved increasing storage of Nd 3+ with >94% retention of Nd 3+ with a FE > 20% over 6 cycles between loading and releases in 1 M KCl solution. In conclusion, these preliminary results provide information and some guidance on the selective recovery of rare earth elements, such as Nd, in aqueous streams in the presence of competitive cations employing the use of carbon-based materials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Gradient porosity electrodes for fast charging lithium-ion batteries

The tendency of Li plating at the surface of thick graphite electrodes greatly limits their application in electrical vehicle (EV) batteries for fast charging applications. To address this concern, we proposed an innovative gradient porosity architecture to facilitate mass transport and suppress Li plating in the thick anodes for fast charging applications. This concept was approved through a thick 3-layered graphite electrode with the highest porosity in the top layer and the lowest porosity in the bottom layer, in contact with the current collector. Here, the gradient porosity structure in the 3-layered graphite electrodes was confirmed by electron microscopy and mercury porosimetry measurements. Used as the anodes of lithium-ion batteries, 3-layered graphite electrodes demonstrated unprecedentedly rate capability and durability superior to 1-layered electrodes. The post-mortem analysis on the cycled cells shows that 3-layered electrodes can significantly suppress Li plating at a high rate up to 4C, which might be responsible for the improved performance of the derived cells. The excellent electrochemical behaviors of 3-layered graphite electrodes are associated with the favored mass transport originating from the unique gradient porosity structure. This is consistent with theoretical studies showing that gradient porosity lowers the Li-ion concentration gradient in the electrolyte in the region close to the separator and slows down the process of reaching the Li plating threshold.

25 ENERGY STORAGE↗
DOE OSTI2025

Development of a Robust Reference Electrode in Aggressive Chemical and Radiation Environments in the Hanford Waste Tanks

The Hanford site stores more than 200 million liters of radioactive and chemically hazardous wastes from the production of weapons materials. The wastes are stored in 177 underground carbon-steel storage tanks, separated between 149 single shell tanks (SSTs) and 28 double shell tanks (DSTs). The DSTs provide critical retrieval and interim storage before the waste is vitrified in the Waste Treatment and Isolation Plant (WTP). The tanks will need to remain in-service far beyond the initial 40-year design life, and effective corrosion control practices must remain in force to extend the tanks’ lifespans. This effort includes direct measurements of corrosion rate (e.g., ultrasonic measurements and corrosion coupons) and electrochemical processes (e.g., linear polarization measurements and open circuit potential measurements). The Hanford site began monitoring the corrosion potential in select DSTs in 2008. Of the 45 reference electrodes that have been installed, 29 have failed and 6 others provided unreliable results. DOE-EM is supporting a 3-year program to develop a chemical and radiation resistant reference electrode for application in the Hanford tanks. The first year of the program focused on understanding the failure mechanism for the reference electrodes and identification of candidate construction materials that would mitigate degradation of the electrodes in the waste environment. During the second year of the program, the objectives were to: 1) test candidate materials under simulated waste conditions, 2) design components that will extend the service life of the electrode, 3) fabricate materials for prototype reference electrodes, and 4) assemble prototype reference electrodes for accelerated testing. The reference electrode is constructed of four principal parts: 1) junction, 2) casing, 3) inner chamber backfill materials, and 4) the sensing wire. Principally, improvements of the junction, casing, and inner chamber backfill materials are being pursued. The junction material at the interface between the waste and the inner chamber of the reference electrode was identified as a critical component in the failure of the reference electrodes. Nine candidate replacement junction materials were tested under simulated waste conditions to evaluate permeation rate. These materials included a variety of polymeric and ceramic materials, some of which were 3-D printed. Thus far, porous polyvinylidene fluoride materials have performed satisfactorily and are being considered for prototype development. The commercial electrode casing materials in general have performed well. Additionally, 3-D printing of chemically and mechanically stable materials is being investigated as a means for further improvement in fabrication consistency. SRNL has also investigated altering the reference electrode design to extend the service life. The new design of the interior of the reference electrode casing creates a longer, more tortuous path between the junction material and the electrode sensing wire. A finite element model was used to optimize the design without adversely impacting the circuit resistance of the electrode during the measurements, thus preserving the measurement accuracy while enhancing the service life. The inner chamber back fill materials are also critical to the performance of the reference electrode. Materials that are resistant to intruding tank waste and provide a conductive path to the sensing wire were investigated. Gel and powder materials that are interspersed with a conductive chloride bearing material were tested for their influence on diffusion and electrode resistance. All the investigated materials and components will be assembled, with collaboration from commercial vendors, to fabricate the initial prototypes. Accelerated testing of the prototypes will be initiated in Year 2 of the program and will be completed in Year 3. A recommendation on the materials of construction and the design of the new robust reference electrode will be presented to the Hanford tank farm facility.

Sykes, Kiana [Savannah River National Laboratory (↗
NASA NTRS2012

High-Speed Transport of Fluid Drops and Solid Particles via Surface Acoustic Waves

A compact sampling tool mechanism that can operate at various temperatures, and transport and sieve particle sizes of powdered cuttings and soil grains with no moving parts, has been created using traveling surface acoustic waves (SAWs) that are emitted by an inter-digital transducer (IDT). The generated waves are driven at about 10 MHz, and it causes powder to move towards the IDT at high speed with different speeds for different sizes of particles, which enables these particles to be sieved. This design is based on the use of SAWs and their propelling effect on powder particles and fluids along the path of the waves. Generally, SAWs are elastic waves propagating in a shallow layer of about one wavelength beneath the surface of a solid substrate. To generate SAWs, a piezoelectric plate is used that is made of LiNbO3 crystal cut along the x-axis with rotation of 127.8 along the y-axis. On this plate are printed pairs of fingerlike electrodes in the form of a grating that are activated by subjecting the gap between the electrodes to electric field. This configuration of a surface wave transmitter is called IDT. The IDT that was used consists of 20 pairs of fingers with 0.4-mm spacing, a total length of 12.5 mm. The surface wave is produced by the nature of piezoelectric material to contract or expand when subjected to an electric field. Driving the IDT to generate wave at high amplitudes provides an actuation mechanism where the surface particles move elliptically, pulling powder particles on the surface toward the wavesource and pushing liquids in the opposite direction. This behavior allows the innovation to separate large particles and fluids that are mixed. Fluids are removed at speed (7.5 to 15 cm/s), enabling this innovation of acting as a bladeless wiper for raindrops. For the windshield design, the electrodes could be made transparent so that they do not disturb the driver or pilot. Multiple IDTs can be synchronized to transport water or powder over larger distances. To demonstrate the transporting action, a video camera was used to record the movement. The speed of particles was measured from the video images.

Bar-Cohen, Yoseph↗
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↗
DOE OSTI2023

Molecular Ionic Composites: A New Class of Polymer Electrolytes to Enable All-Solid-State and High-Voltage Lithium Batteries (Final Project Report for DOE EERE VTO grant EE0008860)

Based on a newly discovered class of solid PE materials, that is, molecular ionic composites (MICs), the major goal of this project is to develop solid-state lithium conductors targeted for use in transportation applications. MICs form a mechanically stiff, electrochemically stable, and thermally stable matrix. Specific objectives include the following: (1) development of robust MIC electrolyte thin films (~ 20 µm) to serve as simultaneous nonflammable separators and dendrite-blocking Li + conductors, (2) electrochemical quantification of key performance metrics including electrolyte stability, interfacial reactions, and suitability/compatibility with a range of electrode materials, and (3) comprehensive investigation of ion transport mechanisms and electrode-electrolyte interfacial reactivity under practical operating conditions using NMR and synchrotron X-ray analyses.

25 ENERGY STORAGE↗