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At least 37 records · Page 2

3-D Geological Modeling for Numerical Flow Simulation Studies of Gas Hydrate Reservoirs at the Kuparuk State 7-11-12 Pad in the Prudhoe Bay Unit on the Alaska North Slope

Accurate reservoir evaluation requires reliable three-dimensional (3-D) geological models. Here, this study conducted 3-D geological modeling for numerical flow simulation of the B1 sand gas hydrate reservoir at the Kuparuk State 7-11-12 pad, Prudhoe Bay Unit, Alaska North Slope. The model integrates well logs, core, and seismic data to address spatial heterogeneity in geological structures and reservoir properties. Two modeling types were performed: structural framework modeling and petrophysical property modeling. For structural framework modeling, seismic data and well log markers were used to reproduce subsurface structures characterized by a normal fault system. A volume-based modeling algorithm and stair-stepping grid were applied. The resulting 3-D model comprised 2,640,000 grid cells across 264 layers, including seven fault grids. For petrophysical property modeling, total porosity was initially modeled using sequential Gaussian simulation with collocated cokriging. To reproduce the upward coarsening of the B1 sand, upscaled log-derived total porosity and a three-dimensional (3-D) trend depicting total porosity variation were used as primary and secondary data, respectively. Gas hydrate saturation distribution was modeled similarly, with secondary data from estimated porosity distribution and seismic-derived acoustic impedance map enhancing accuracy. Results indicate higher gas hydrate saturation in the upper part of the B1 sand and areas with higher acoustic impedance. Intrinsic permeability was modeled from the total porosity and clay-bound water volume, and effective permeability was derived from the gas hydrate saturation and intrinsic permeability distributions based on the “Tokyo model”. Effective permeability distributions were influenced by the total porosity, gas hydrate saturation, and intrinsic permeability. Within the same layer, higher gas hydrate saturation leads to decreased effective permeability. In total, 100 sets of multiple scenarios were prepared, providing input data for dynamic flow simulations to evaluate the effects of lateral heterogeneity in reservoir properties and the hydraulic characteristics of faults on production behavior for preassessment before the long-term production test.

58 GEOSCIENCES↗

Estimating the Likelihood of GHG Concentration Scenarios From Probabilistic Integrated Assessment Model Simulations

The climate scenarios that form the basis for current climate risk assessments have no assigned probabilities, and this impedes the analysis of future climate risks. This paper proposes an approach to estimate the probability of carbon dioxide (CO 2 ) concentration scenarios used in key climate change modeling experiments. It computes the CO 2 emissions compatible with the concentrations prescribed by Coupled Model Intercomparison Project Phase 5 (CMIP5) and CMIP6 experiments. The distribution of these compatible cumulative emissions is interpreted as the likelihood of future emissions given a concentration pathway. Using Bayesian analysis, the probability of each pathway can be estimated from a probabilistic sample of future emissions. The approach is demonstrated with five probabilistic CO 2 emission simulation ensembles from four Integrated Assessment Models (IAM), leading to independent estimates of the likelihood of the CO 2 concentration of Representative Concentration Pathways (RCP) and Shared Socioeconomic Pathways (SSP). Results suggest that SSP5-8.5 is unlikely for the second half of the 21st century, but offer no clear consensus on which of the remaining scenarios is most likely. Estimates of likelihoods of CO 2 concentrations associated with RCP and SSP scenarios are affected by sampling errors, differences in emission sources simulated by the IAMs, and a lack of a common experimental framework for IAM simulations. These shortcomings, along with a small IAM ensemble size, limit the applicability of the results presented here. Novel joint IAM and the Earth System Model experiments are needed to deliver actionable probabilistic climate risk assessments.

54 ENVIRONMENTAL SCIENCES↗

Design of PGM-free cathodic catalyst layers for advanced PEM fuel cells

Here, the design of cathodic catalysts layer (CCL) consisted of Platinum Group Metal-free (PGM-free) electrocatalysts was done by catalyst coated membrane approach. Three different Fe-Mn-N-C compounds were synthesized with Fe:Mn ratio of 1:1, 2:1 and 2:1 with modified heat treatment profile. The catalysts were characterized by X-ray photoelectron spectroscopy, X-ray powder diffraction, pore and particle size distribution, zeta potential and transmission electron microscopy. Electrocatalysts were integrated into membrane electrode assembly and evaluated by electrochemical methods. Electrochemical impedance spectroscopy in combination with modeling were used for estimation of proton conductivity of CCL and its oxygen diffusivity. It was found that all CCLs possess extremely high proton conductivity, which was demonstrated for the first time for these types of PGM-free catalysts. The observed ORR mechanism was predominantly 4e- due to peroxide/radicals scavenging effect of Mn.

impedance↗

Port Impedance Measurement and Current Injection Response Analysis for PLCs

Programmable Logic Controllers (PLCs) are used to control devices throughout the power system since they have fast control capabilities and can utilize multiple types of communication interfaces. Therefore, studying and mitigating their vulnerabilities to electromagnetic pulse is important for the reliability of PLC operations. Here, in this paper, an effective impedance measurement scheme is proposed and demonstrated for three PLCs to estimate their susceptibility to an electromagnetic pulse. The equivalent non-uniform transmission line model is established to eliminate the impact of the fixture in the de-embedding process. Then different parameters of the impedance measurement setup are explored. Based on the measured impedance, the equivalent circuit is established to calculate the response of the device when subjected to the electromagnetic pulse. The voltage and current responses of different interfaces are compared utilizing the developed pulsed Current Injection (CI) method. Finally, the impedance measurement scheme is verified through testing using three measuring instruments. And the CI simulation experiments reveal the characteristics and susceptibilities of different PLCs interfaces, indicating that some protection measures are required for the reliable operation of the PLC.

42 ENGINEERING↗

A Machine Learning based Approach of Estimating Equivalent Circuit Model Parameters at Different SoCs of Li-ion Batteries from Voltage Relaxation

Abstract: In this study, an approach of estimating the equivalent circuit model (ECM) parameters for Li-ion batteries (LIBs) is proposed based on the voltage value at different intervals while relaxing the LIB after discharge. The typical approach for estimating ECM parameters of a LIB is to conduct electrochemical impedance spectroscopy (EIS) measurements at different frequencies and fit them to a predefined circuit model, which requires additional measuring arrangements and specialized devices. The proposed methodology utilizes four different voltages at 0s, 60s, 360s, and 1800s alongside the specific state of charge (SoC) value for a specific constant discharge current value of ~1C until the relaxation stage to train and evaluate three regression-based machine learning models— Support Vector Regression (SVR), Extreme Gradient Boosting (XGBoost), and Gaussian Process Regression (GPR)—for estimating the ECM parameters of the selected model. Bayesian optimization is employed for hyperparameter tuning to achieve optimal performance for all the regressor models, among which, the GPR provided the best performance with the root-mean-squared error (RMSE) of less than 4x10-4 on average for the resistive components and less than 0.27 for capacitive components with excellent R2 scores. The simplicity of the approach enables it to eliminate the need for sophisticated measuring equipment and computation power.

Sagar, Md. Samiul [The University of Alabama (UA)]↗

A Reversed Impedance-Based Stability Criterion for IBR Grids

The existing impedance-based stability criterion is effective for analyzing local control interactions; however, it is difficult to scale the existing criterion to analyze wide-area control interactions among numerous IBRs through a complex power system network. The scaled version of the existing criterion requires the impedance response of each IBR in the system as well as of the network looking from all the IBRs. It is quite challenging to obtain all these impedance responses because of the computational effort and the requirement of separately scanning the impedance of the network and the IBRs. We propose a reversed criterion for the impedance-based stability analysis to address these problems. In contrast to the existing criterion, the reversed criterion analyzes the stability of a power system when an IBR is disconnected from the system. The reversed criterion estimates the impact of an IBR on the frequency and damping of power system oscillation modes using the impedance scans of only the IBR and the grid at its terminal. It can be sequentially applied at different IBRs to evaluate their impact on the power system stability. In addition to scalability, the reversed criterion gives flexibility to focus only on a few selected IBRs, depending on their rating, the magnitude of oscillations observed at their terminals, and the vendor support available for implementing stabilizing control system updates. The reversed criterion is demonstrated on a 14-bus power system with 100% IBRs.

control interactions↗

How reliable is distribution of relaxation times (DRT) analysis? A dual regression-classification perspective on DRT estimation, interpretation, and accuracy

The distribution of relaxation times (DRT) has gained increasing attention and adoption in recent years as a versatile method for analyzing electrochemical impedance spectroscopy (EIS) data obtained from complex devices like fuel cells, electrolyzers, and batteries. The DRT deconvolutes the impedance without a priori specification of a generative model, which is especially useful for interpretation and model selection when the governing principles of the system under study are not fully understood. However, DRT estimation is an ill-posed inversion problem that must be addressed with a subjective choice of regularization and tuning, which leaves substantial risk of misleading interpretations of EIS data. In this work, we suggest a new classification view of the DRT inversion to clarify DRT estimation and interpretation. We introduce a dual regression-classification framework that unifies the classification and regression views of the DRT inversion with wide-reaching implications for DRT analysis. The dual framework is employed to demonstrate a new kind of DRT inversion algorithm and develop novel evaluation metrics that capture previously ignored aspects of DRT accuracy. These approaches are applied to both synthetic data and experimental spectra collected from a protonic ceramic fuel cell and a lithium-ion battery to illustrate their broad utility. The dual inversion algorithm shows promising performance for accurate DRT estimation and autonomous model identification, while the dual evaluation approach produces metrics that meaningfully assess the strengths and risks of DRT algorithms. Here this work provides valuable insight for both practical application of the DRT to experimental data and further development of EIS analysis methods.

36 MATERIALS SCIENCE↗

Floating zone crystal growth, structure, and properties of a cubic Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 garnet-type lithium-ion conductor

As a promising candidate for solid-state electrolytes in Li-ion batteries, the garnet-type Li-ion conductor series Li 5+x La 3 Nb 2-x Zr x O 12 (LLNZO) (0 ≤ x ≤ 2) exhibits high ionic conductivity at room temperature. However, no previous single-crystal growth or characterization has been reported for LLNZO compositions 0 ≤ x ≤ 1. To obtain a complete understanding of the trend in the structure–property relationship in this class of materials, we used the floating zone (FZ) method to grow a single crystal of Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 that was 4 mm in diameter and 10 mm in length. Using Laue neutron single-crystal diffraction, two distinct Li sites were observed: tetrahedral 24d and octahedral 96h sites. The maximum entropy method (MEM) based on neutron single-crystal diffraction data was used to map Li nuclear density and estimate that the bottleneck of Li transport exists between neighboring tetrahedral and octahedral sites, and that Li is delocalized between split octahedral sites. Room-temperature Li-ion conductivity in Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 measured with electrochemical impedance spectroscopy (EIS) was 1.37 × 10 -4 S cm -1 . The Li migration activation energy was estimated to be 0.50 eV from EIS and 0.47 eV from dielectric relaxation measurements. The Li-ion jump attempt rate was estimated to be 1.47 × 10 12 Hz while the time scale of successful migration is 10 -7 to 10 -6 s.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Reversed Impedance-Based Stability Criterion for IBR Grids: Preprint

The existing impedance-based stability criterion is effective for analyzing local control interactions; however, it is difficult to scale the existing criterion to analyze wide-area control interactions among numerous IBRs through a complex power system network. The scaled version of the existing criterion requires the impedance response of each IBR in the system as well as of the network looking from all the IBRs. It is quite challenging to obtain all these impedance responses because of the computational effort and the requirement of separately scanning the impedance of the network and the IBRs. We propose a reversed criterion for the impedance-based stability analysis to address these problems. In contrast to the existing criterion, the reversed criterion analyzes the stability of a power system when an IBR is disconnected from the system. The reversed criterion estimates the impact of an IBR on the frequency and damping of power system oscillation modes using the impedance scans of only the IBR and the grid at its terminal. It can be sequentially applied at different IBRs to evaluate their impact on the power system stability. In addition to scalability, the reversed criterion gives flexibility to focus only on a few selected IBRs, depending on their rating, the magnitude of oscillations observed at their terminals, and the vendor support available for implementing stabilizing control system updates. The reversed criterion is demonstrated on a 14-bus power system with 100% IBRs.

control interactions↗

Conversion Kinetics and Ionic Conductivity in Na-β”-Alumina + YSZ (Naβ”AY) Sodium Solid Electrolyte via Vapor Phase Conversion Process

Sodium ion batteries have been receiving increasing attention and may see potential revival in the near future, particularly in large-scale grid energy storage coupling with wind and solar power generation, due to the abundant sodium resources, low cost, and sufficiently high energy density. Among the known sodium ion conductors, the Na-β”-alumina electrolyte remains highly attractive because of its high ionic conductivity. This study focuses on the vapor phase synthesis of a Na-β”-Alumina + YSZ (Naβ”AY) composite sodium electrolyte, which has higher mechanical strength and stability than conventional single phase β”-Alumina. The objectives are the measurement of conversion kinetics through a newly developed weight-gain based model and the determination of sodium ionic conductivity in the composite electrolyte. Starting samples contained ~70 vol% α-Alumina and ~30 vol% YSZ (3 mol% Y 2 O 3 stabilized Zirconia) with and without a thin alumina surface layer made by sintering in air at 1600 °C. The sintered samples were placed in a powder of Na-β”-alumina and heat-treated at 1250 °C for various periods. Sample dimensions and weight were measured as a function of heat treatment time. The conversion of α-Alumina in the α-Alumina + YSZ composite into Naβ”AY occurred by coupled diffusion of sodium ions through Na-β”-alumina and of oxygen ions through YSZ, effectively diffusing Na2O. From the analysis of the time dependence of sample mass and dimensions, the effective diffusion coefficient of Na 2 O through the sample, D eff , was estimated to be 1.74 x 10 -7 cm2 s -1 , and the effective interface transfer parameter, k eff , was estimated as 2.33 x 10 -6 cm s -1 . By depositing a thin alumina coating layer on top of the bulk composite, the chemical diffusion coefficient of oxygen through single phase Na-β”-alumina was estimated as 4.35 x 10 -10 cm 2 s -1 . An AC impedance measurement was performed on a fully converted Naβ”AY composite, and the conductivity of the composite electrolyte was 1.3 x 10 -1 S cm -1 at 300 °C and 1.6 x 10 -3 S cm -1 at 25 °C, indicating promising applications in solid state or molten salt batteries at low to intermediate temperatures.

36 MATERIALS SCIENCE↗

Plasma production and ion heating systems for the Material Plasma Exposure eXperiment

Plasma production and ion heating in the Material Plasma Exposure eXperiment (MPEX), whose design is nearing completion, is accomplished using continuous wave RF power with average power density up to 1.6 MW/m2 at the plasma interface. Plasma is produced using helicon waves coupled through a single helical antenna at 13.56 MHz with power supplied by three 100 kW fixed-frequency RF generators feeding a power combiner network followed by the matching network and launcher. The helicon source can utilize various gasses including hydrogen, deuterium, and helium, with a magnetic field strength in the source region up to 0.2 T, and maximum device |B| of 2.5 T. Power is coupled to ions via ion cyclotron heating at the fundamental resonance using a pair of phased helical antennas operating in the frequency range 4-9 MHz, that launch waves towards the resonance from the antenna region where ω > ωci. ICH power is supplied by a single 500 kW tunable RF transmitter through a 90° power splitter and matching/decoupling network. In the case of both the helicon and ICH systems the antennas are located external to the vacuum, with power transferred through novel water-cooled coaxial vacuum windows consisting of fused quartz outer cylinders and silicon nitride inner cylinders with forced convection water cooling between them. The antenna enclosures are pressurized with dry air to 3 bar absolute for voltage standoff.Several 3-D COMSOL models have been created to simulate the two systems. A model of the helicon region utilizing a cold plasma dielectric tensor with accurate magnetic field and realistic plasma density profiles has been used to calculate the plasma loading/complex antenna input impedance at the launcher feed for various ne and |B| values, for the purpose of estimating power handling. It also incorporates the geometry of all launcher structures relevant to this determination. A still more detailed model of the launcher together with a lossy dielectric plasma surrogate has been used to determine RF electric field values and power losses in the device components.Similar models have been produced to predict the performance and power handling of the ICH launcher. For this device the impedance matrix of the two-element antenna array is calculated using a warm plasma model, necessary to properly determine the wave propagation and absorption.

Goulding, Richard↗

Electrochemical recovery of Gd into liquid Bi in molten LiCl-KCl-GdCl 3

The electrochemical recovery of Gd into liquid Bi electrodes was investigated in molten LiCl-KCl-GdCl 3 electrolyte at 773–973 K using constant currents of 10–150 mA cm −2 . High round-trip coulombic efficiency (>97 %) was demonstrated for deposition and removal of Gd into and from liquid Bi at all temperatures, confirming chemically reversible electrode reactions towards high recovery yield of Gd using liquid Bi. Furthermore, the overpotential associated with deposition of Gd into the liquid Bi electrode gradually increased with current density and decreased with temperature. At the lowest temperature of 773 K, a steep increase in overpotential was evident at high current densities due to slower mass transport and low solubility of Gd in liquid Bi (0.5 at.% Gd). Based on the impedance spectra of Bi electrodes at 773–973 K, the exchange current density was estimated to be 110–220 mA cm −2 , indicating facile charge transfer at the liquid electrode-electrolyte interface. Post-mortem characterization of Bi cathodes after electrolysis at 873 K indicated the formation of a solid GdBi(s) compound layer at the Bi electrode surface. Chemical analysis of Bi cathodes at various deposited Gd compositions resulted in Faradaic efficiencies of ∼75–84 %, promising a high recovery yield of Gd from molten salts using a strongly-interacting liquid Bi electrode.

36 - MATERIALS SCIENCE↗

Critical Clearing Time for Droop-Controlled Grid-Forming Inverters With Circular Current Limiting and Virtual Impedance Current Limiting

The critical clearing time is a crucial parameter for assessing the large-signal stability of grid-forming (GFM) inverters. Variations in current limiters can significantly impact an inverter's transient behavior during large disturbances. Here, this letter introduces a method based on the power-angle relationship to evaluate the fault recovery of a droop-controlled GFM inverter under a three-phase bolted fault scenario, considering both the circular current limiter and the virtual impedance method. High-fidelity simulations validate the accuracy of the proposed formulas in estimating the critical clearing time of the GFM inverter.

42 ENGINEERING↗

Electrochemical Characterization of Degradation Modes of High-Voltage Li x Ni 0.33 Mn 0.33 Co 0.33 O 2 Electrodes

While deeply charged high-voltage cathodes can improve battery energy density, understanding and preventing any accelerated cell degradation is crucial to practical success. Here, to analyze the degradation of LiNi x Mn y Co 1–x–y O 2 (NMC) type material charged to 4.3 and 4.5 V, a physics-based model is applied to cycling data to obtain parameter estimates indicative of degradation modes, which are validated by simple electrochemical measurements and further interpreted by materials characterization. Growth rates of interfacial impedance and active material loss are greater at 4.5 V, as might be expected. However, when charged to 4.5 V, degradation rates are initially lower at a cycling C-rate of 1.0 C than at 0.5 C. Once degradation mode changes are quantified, simulations evaluate the contribution of individual degradation mode to performance losses and provide estimates of the energy-power correlation (Ragone plots) of cells after cycling.

25 ENERGY STORAGE↗

Machine learning models for estimating contamination across different curbside collection strategies

Contaminated recyclables, which are frequently discarded as waste, pose a significant challenge to the implementation of a circular economy. These contaminated recyclables impede the circulation of resources, resulting in higher processing costs at material recovery facilities (MRFs). Over the past few decades, machine learning (ML) models such as linear regression (LR), support vector machine (SVM), and random forest (RF) have evolved to provide new methods for predicting inbound contamination rates in addition to traditional statistical models. In this study, we applied ML models to predict inbound contamination rates using demographic features from 15 counties in the U.S. with different curbside collection strategies. In general, we found that ML models outperformed linear mixed models. Specifically, SVM models had the highest performance (R 2 = 0.75; mean absolute error (MAE) = 0.06), which may be due to their ability to model nonlinear relationships between features and inbound contamination rates. Further, the key predictor was population, with poverty rate being positively correlated and median age negatively correlated with inbound contamination rates. To improve the management of contamination and enhance the implementation of a circular economy, better models are needed to understand and estimate inbound contamination rates as well as identify critical factors in the present and future.

54 ENVIRONMENTAL SCIENCES↗

Ultrasonic characterization of material heterogeneities in stainless steel components produced by laser powder bed fusion

We introduce pulse-echo ultrasound as a method for characterizing the impact of powder bed fusion parameters on the properties of additively manufactured stainless-steel components, their material anisotropy, and location-dependent heterogeneity. Our results indicate that accurate characterization requires careful selection of ultrasonic propagation paths, which must consider the direction of additive layering, variations in processing parameters, and the component's geometry. We employed two distinct methods to estimate material properties from ultrasonic data: One assumes isotropy, while the other accounts for anisotropic interactions during the propagation of elastic waves. When applied to samples fabricated with laser energy densities ranging from 24 to 42 J/mm³ , these methods revealed transverse isotropy and weak anisotropy (quantified by small Thomsen parameters, ε = 0.0651 and γ = 0.0092) and less than a ∼6 % change in acoustic impedance. The assumption of isotropy, in this case, leads to small errors (less than 4 % or 1 % for Young's modulus in the build or transverse directions) when estimating orthotropic material properties using ultrasonic data measured along just two orthogonal directions, one of which must align with the build direction. By comparing ultrasonic measurements — which aggregate the spatial variability in material properties along the length of elastic wave propagation into a single value — with localized measurements obtained from surface nanoindentation, we uncovered and spatially profiled significant differences between the surface and interior properties. Specifically, the surface Young's modulus decreased from approximately 210 GPa to 180 GPa within a depth of about 3 mm. We attribute this surface-localized heterogeneity in PBF-fabricated components to distinct thermal histories experienced by the surface and interior regions. Collectively, the results of this study establish a framework for the ultrasonic characterization of material heterogeneity and anisotropy in material properties and demonstrate its application in additively manufactured metal components.

36 MATERIALS SCIENCE↗

High-Impedance Non-Linear Fault Detection via Eigenvalue Analysis with low PMU Sampling Rates

This work presents a hybrid data-driven and physics-based framework for high-impedance fault detection in power systems. An innovative method based on eigenvalue analysis is expanded and validated. Phasor Measurement Unit data is used to estimate eigenvalues corresponding to the powerlines being monitored. The projection and drift of these eigenvalues is then tracked and evaluated. Faults are detected as they drive eigenvalues outside of their normal zones. Eigenvectors are leveraged to support and validate the decisions made by the main algorithm. This technique holds several advantages over contemporary techniques in that it utilizes technology that is already deployed in the field, it offers a significant degree of generality, and so far it has displayed a very high-level of sensitivity without sacrificing accuracy. Validation takes place in the form of simulations in the IEEE 13 Node System considering a popular high-impedance non-linear fault model. Test results are encouraging indicating potential for real-life applications.

Paramo, Gian↗

Lithium-Ion Battery Diagnostics Using Electrochemical Impedance via Machine-Learning

Diagnosing battery states such as health, state-of-charge, or temperature is crucial for ensuring the safety and reliability of electrochemical energy storage systems. While some states, such as temperature, may be measured using cheap sensors, accurate diagnosis of battery health metrics usually requires time-consuming performance measurements, making them infeasible for use in real-world operation. These health metrics can be measured during lab-testing and then estimated on-line using predictive life models or via state observer algorithms such as Kalman filters, but these predictive methods should be supplemented by actual measurement of battery health whenever possible to ensure reliability. Rapid measurement of battery health may be done by various types of fast diagnostic techniques such as electrochemical impedance spectroscopy (EIS), which can be performed in only a few minutes and require only a fraction of the energy and power needed for a full charge and discharge measurement. But there is a substantial challenge for estimating battery health using EIS data, as EIS is sensitive to cell temperature, state-of-charge, current, and resting time in addition to health. Thus, utilizing EIS data to predict battery capacity requires correcting for all these additional variables, a task that is extremely difficult to handle analytically. This talk utilizes machine-learning methods to estimate the effectiveness of battery capacity prediction from EIS data, leveraging a data set of hundreds of EIS measurements recorded at varying temperature and state-of-charge throughout a 500-day aging study of 32 commercial, large-format NMC-Graphite lithium-ion batteries. Using EIS as input to machine-learning models is complicated by the nonlinear response of impedance to battery health, temperature, and state-of-charge, as well as the collinearity between the impedance response at neighboring frequencies, which can easily lead to overfit models. To train robust models, features from EIS data need to be extracted from the data or some subset of critical frequencies selected. Many approaches for extracting and selecting features from EIS data from electrochemical analysis and machine-learning fields were identified for analysis: using the entire raw spectra; selection of one, two, or many frequencies from the entire spectra; selecting interesting points from the EIS measurement using domain knowledge; fitting EIS with an equivalent-circuit model; calculating statistics on the raw impedance values; and reducing the dimensionality of the data using unsupervised linear (principal component analysis) and non-linear (uniform manifold approximation and projection) methods. These approaches were rigorously compared using a machine-learning pipeline approach, training linear, Gaussian process, and random forest regression models and quantifying performance using cross-validation as well as a held-out test set. An artificial neural network model trained on the raw spectra was also tested. Promising pipelines were fine-tuned via Bayesian hyperparameter optimization using cross-validation loss and training with class-specific weights to counter data set imbalance. The most reliable method for utilizing impedance in this work was the selection of two optimal frequencies through an exhaustive search, resulting in about 2% mean absolute error on test data for both Gaussian process and random forest model architectures. Interrogation of a variety of models reveals critical frequencies of 100 Hz and 103 Hz for this data set, though the optimal set of frequencies is not necessarily intuitive, i.e., the best performing models are not simply those that use impedance at frequencies that have the highest correlation to the relative discharge capacity. The best performing model is an ensemble model, which is able to predict battery capacity with 1.9% mean absolute error for unseen cells using impedance recorded at a variety of temperatures and states-of-charge.

battery↗