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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Parasitic Effects in Impedance Spectrum of PEM Water Electrolysis Cells: Case Study of High-Frequency Inductive Effects

Electrochemical impedance spectroscopy (EIS) is a powerful tool to characterize and distinguish electrochemical, electrical, and diffusive processes in an electrolysis cell. The EIS response with small impedance (mΩ) depends on components and materials of the cell, but often also on the electrical setup, cables, and connectors, leading to incorrect conclusions about the performance of the electrolysis cells. These parasitic effects are assessed via a short-circuit measurement and confirmed to be external from the membrane electrode assembly (MEA). In the setup, the inductive characteristic is described by a modified inductive reactance and must be included in the equivalent circuit model (ECM) which is fitting the cell EIS spectra in operation (in situ). If points of the spectra showing inductive characteristic (below x-axis in Nyquist plot) are excluded from the ECM evaluation, an artificially increased ohmic resistance at high frequencies is obtained. In addition, considerations on other components of the ECM can be misleading and significantly incorrect. The only way to avoid that inductive behavior caused by the external setup is incorrectly assigned to the ECM describing properties of the MEA is to include the inductive effects in the ECM analysis of in situ EIS measurements.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Megahertz Rate Optical Diagnostics of Explosively Generated Soot

Detonation of a solid explosive produces a turbulent and luminous post‐detonation fireball containing condensed carbon soot. Diagnostics of soot dynamics are needed for model validation and to interpret emission signals. Diffuse back‐illumination extinction imaging (DBI‐EI) and laser‐induced incandescence (LII) are two common optical diagnostics for flame soot. This work extends both to measure time‐resolved soot dynamics from a 12 mm HMX hemisphere. DBI‐EI measured line‐of‐sight optical extinction exceeds 99% in some regions. Results are tomographically inverted to obtain a signal proportional to the soot volume fraction. Pulse‐burst LII measures are presented at 1 MHz. For the first time, LII results are combined with DBI‐EI extinction measurements to quantify and correct for signal trapping. Following this, spatially and temporally resolved DBI‐EI and LII measures are shown to be in reasonable agreement. Finally, experimental results are compared against recently developed simulations. Quantitative differences in the soot mixing dynamics are resolved. These findings motivate future model improvements and demonstrate ongoing needs for diagnostic advancements for heavily sooting environments.

diffuse back-illumination extinction imaging↗
DOE OSTI2022

Diffuse back-illumination temperature imaging (DBI-TI), a novel soot thermometry technique

To meet stringent emissions regulations on soot emissions, it is critical to further advance the fundamental understanding of in-cylinder soot formation and oxidation processes. Among several optical techniques for soot quantification, diffuse back-illumination extinction imaging (DBI-EI) has recently gained traction mainly due to its ability to compensate for beam steering, which if not addressed, can cause unacceptably high measurement uncertainty. Until now, DBI-EI has only been used to measure the amount of soot along the line of sight, and here, we extend the capabilities of a DBI-EI setup to also measure in-cylinder soot temperature. This proof of concept of diffuse back-illumination temperature imaging (DBI-TI) as a soot thermometry technique is presented by implementing DBI-TI in a single cylinder, heavy-duty, optical diesel engine to provide 2-D line-of-sight integrated soot temperature maps. The potential of DBI-TI to be an accurate thermometry technique for use in optical engines is analyzed. The achievable accuracy is due in part to simultaneous measurement of the soot extinction, which circumvents the uncertainty in dispersion coefficients that depend on the optical properties of soot and the wavelength of light utilized. Analysis shows that DBI-TI provides temperature estimates that are closer to the mass-averaged soot temperature when compared to other thermometry techniques that are more sensitive to soot temperature closer to the detector. Furthermore, uncertainty analysis and Monte Carlo (MC) simulations provide estimates of the temperature measurement errors associated with this technique. The MC simulations reveal that for the light intensities and optical densities encountered in these experiments, the accuracy of the DBI-TI technique is comparable or even better than other established optical thermometry techniques. Thus, DBI-TI promises to be an easily implementable extension to the existing DBI-EI technique, thereby extending its ability to provide comprehensive line-of-sight integrated information on soot.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Deconvoluting the benefits of porosity distribution in layered electrodes on the electrochemical performance of Li-ion batteries

Thick Lithium Ion Battery (LIB) electrodes suffer from poor rate capability and high ionic impedance due to their thickness and mesostructure. Therefore, optimizing thick electrode architectures becomes crucial. In this work, we report a systematic assessment of the ionic resistance in heterogeneous porous electrodes through the combination of computational simulations using a 4D-resolved model and experimental measurements. The first part of the study is devoted to a general assessment of Electrochemical Impedance Spectroscopy (EIS) spectra, mapping the impact of ionic and electronic resistances on the overall impedances of uncalendered and calendered LiNi 1/3 Mn 1/3 Co 1/3 O 2 , LiFePO 4 and graphite electrodes. In the second part, in silico-generated electrodes with different porosities are used in computational EIS simulations to analyze the impact of the electrode porosity on the ionic impedance. As expected, the results show that a lower porosity leads to a higher ionic impedance because of a higher electrode tortuosity factor. Furthermore, in silico-generated electrodes with different porosities were stacked and assembled to create heterogeneities of porosity along the thickness, and used in computational EIS and galvanostatic discharge simulations. The computational results show that the porosity heterogeneity along the electrode thickness has a significant effect on the ionic impedance and capacity of the electrode. The electrode architecture with progressively decreasing porosity from separator to current collector shows the highest performance, a trend validated by our in house experimental EIS and galvanostatic discharge also reported in this manuscript. Overall, we conclude that the ionic resistance in a thick electrode can be effectively reduced through proper tuning of the porosity heterogeneity. The proposed heterogeneous electrode architectures presented here could enormously help building efficient thick electrodes for LIBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Advancing electrochemical impedance analysis through innovations in the distribution of relaxation times method

Electrochemical impedance spectroscopy (EIS) is a key tool across various scientific disciplines, including energy sciences, chemistry, and biology, enabling the analysis of electrochemical systems. However, conventional methods for interpreting EIS data are often complex and model dependent. The distribution of relaxation times (DRT) offers a non-parametric approach that simplifies the interpretation process by providing a timescale interpretation of EIS data. This article provides a comprehensive review of current methods for DRT inversion. Additionally, a survey of practitioners highlights key challenges in the field. Here, the findings underscore the need for standardized DRT analysis and benchmarks, as well as the development of automated analysis tools. These advancements would improve the usability and interpretability of EIS data. Ultimately, implementing these improvements could not only propel the field forward but also expand the application of DRT in scientific research by making it accessible to a broader range of researchers, including those without specialized expertise in programming or statistics.

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

Interface diagnostics platform for thin-film solid-state batteries

Understanding the impedances of battery materials and their interfaces remains a major challenge, usually addressed by electrochemical impedance spectroscopy (EIS) where frequency-dependent complex impedance of full battery cells is measured and then modeled by a network of connected electrical elements. As conventionally applied, this approach produces ambiguity in that (1) multiple different network configurations may fit the data convincingly and (2) the method offers no direct association of the electrical elements with physical features of the battery. Here we present a new methodology that resolves both sources of ambiguity, enabled by expanding the experimental scope to directly inform the configuration of elements and their parameters in the network model. We demonstrate this methodology using thin film fabrication of solid state battery devices patterned by shadow masked sputter deposition, so that diagnostic devices corresponding to individual interface and material components can be fabricated simultaneously with full cell batteries. EIS models for the diagnostic devices can then be connected to form full cell networks whose topology matches the well-known physical configuration of the battery. When connected in this way, the full network model – made from connecting the diagnostic device EIS models – fits the full cell EIS data. For the case of a thin film solid state battery composed of amorphous silicon anode, lithium phosphorus oxynitride (LiPON) solid electrolyte, and lithium vanadium oxide (Li x V 2 O 5 ) cathode, we show that the approach allows us to identify ionic impedance/conductivity of the cathode/electrolyte as a limiting impedance and the anode/electrolyte interface cycling instability as a primary degradation factor.

25 ENERGY STORAGE↗
DOE OSTI2026

Modeling Multi-View Impedance-Based Cross-Geometry SOH Estimator for Li-ion Batteries

Abstract: Accurately estimating battery’s State of Health (SOH) remains challenging when models must generalize across cell designs and operating conditions. Most Electrochemical Impedance Spectroscopy (EIS)-based approaches either (i) hand-engineer a few Nyquist-plot features for shallow models—fast but does not generalize across geometries—or (ii) learn directly from Nyquist plots with deep networks, which removes manual feature extraction, yet still limited to a single plot type. As a result, cross-geometry robustness and deployability on constrained Internet of Things (IoT) devices remain open problems. We propose a compact Convolutional Neural Network (CNN) (∼ 10k parameters) that takes multi-representation EIS inputs—Nyquist (real/imaginary) and phase–magnitude (|Z|/ϕ) stacked as four channels, so the model can learn complementary degradation signatures while remaining small enough for fast inference. We build a dataset from cyclic aging of two geometries (LG INR18650MJ1 cylindrical cells and LIR2032 coin cells), acquire EIS every ten cycles from 10 kHz to 10 mHz (10 points/decade), and evaluate with leave-one-cell-out testing strategy. We further study fusion vs. single-representation inputs and assess feasibility for on-device deployment (e.g., NVIDIA Jetson device). The results show that training on multiple EIS representations improves SOH estimation accuracy and cross-geometry generalization compared to single-representation models, which uses only Nyquist or phase–magnitude plots. This design targets accurate, generalizable SOH prediction without manual feature engineering while enabling practical real-time use.

Bakr, Ahmed [The University of Alabama (UA)]↗
DOE OSTI2023

Eastern Interconnection Wide-Area Oscillation Assessment and Study Report

To meet the government mandates such as Renewable Portfolio Standards (RPS), conventional synchronous generators with rotating mass are being displaced by inverter-based resources (IBRs), leading to high penetration of renewable energy sources (RES). As a result, the inherent properties and characteristics of the transformed generation mix may significantly impact the grid behaviour, and it is of paramount significance that the impact and the consequences of the resource mix change is thoroughly understood to adopt measures to maintain reliable grid operations. Of great concern is the inter-area low-frequency oscillation, which usually propagates through a large region and has a system-wide impact. Such oscillations may lead to unnecessary or inadvertent tripping of generators, that may be simply reacting to the oscillation originating from geographically remote sites. Such tripping of generators can lead to cascading outages, system split and load loss events. Over the years, several system-wide oscillation events have been observed across all three North American interconnections. This project titled Wide-area Oscillation Assessment and Trending Study, sponsored by the Office of Electricity (OE) of the Department of Energy (DOE), aims to conduct the required research to capture and investigate the potential changes in wide-area oscillatory performance of the system as a result of resource mix transition. The Pacific Northwest National Laboratory (PNNL) conducted this research and technical staff of Federal Energy Regulatory Commission (FERC) served as advisors to the project. The primary objective of this study is to assess whether there are significant trends in the power system wide-area oscillatory behaviours, as a result of the generation-mix changes due to the increased penetration of RES in the U.S. Eastern Interconnection (EI). The analysis presented in this report can serve as reference for future grid planning and operation of the EI system. This research conducted in this project evaluates the wide-area oscillatory behaviour of the EI, using a model-based approach for potential future resource mixes, and the measurement-based analysis with 21-month phasor measurement unit (PMU) time series. The oscillation modes in EI system along with the impact of the changes of the generation mix on the frequency and damping ratio (DR) of the oscillations have been studied.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Properties of the Inter-area Modes of the U.S. Eastern Interconnection System

With an increase in the oscillation events observed in the U.S. Eastern Interconnection (EI), it has become increasingly important to have a good understanding of the EI system oscillatory behavior. However, as compared to the Western Interconnection system (WI), not much work has been done in this regard for the EI system. Therefore, in this paper, a thorough analysis is carried out to identify inter-area modes and their properties for the EI system using model-based approach. Multi-channel Prony method is used in this paper for estimating system modes and mode-shapes.

Agrawal, Urmila↗
DOE OSTI2025

Analysis of Niobium Electropolishing Using a Generalized Distribution of Relaxation Times Method

Using electrochemical impedance spectroscopy, we have devised a method of sensing the microscopic surface conditions on the surface of niobium as it is undergoing an electrochemical polishing (EP) treatment. The method uses electrochemical impedance spectroscopy (EIS) to gather information on the surface state of the electrode without disrupting the polishing reaction. The EIS data is analyzed using a so-called distribution of relaxation times (DRT) method. Using DRT, the EIS data can be deconvolved into discrete relaxation time peaks without any a priori knowledge of the electrode dynamics. By analyzing the relaxation time peaks, we are able to distinguish two distinct modes of the EP reaction. As the polishing voltage is increased, the electrode transitions from the low voltage EP mode, characterized by a single relaxation time peaks, to the high voltage EP mode, characterized by two relaxation time peaks. We theorize that this second peak is caused by the formation of an oxide layer on the electrode. We also find that this oxide induced peak transitions from to a negative relaxation time, which is indicative of a blocking electrode process. By analyzing EPed samples, we show that samples polished in the low voltage mode have significantly higher surface roughness due to grain etching and faceting. We find that the surface roughness of the samples only improves when the oxide film peak is present and in the negative relaxation time region. This shows that EIS combined with DRT analysis can be used to predict etching on EPed Nb. This method can also be performed before or during the EP, which could allow for adjustment of polishing parameters to guarantee a smooth cavity surface finish.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Identifying electrochemical processes by distribution of relaxation times in proton exchange membrane electrolyzers

Distribution of relaxation time (DRT) is used to interpret electrochemical impedance spectroscopy (EIS) for proton exchange membrane (PEM) water electrolyzers, with an attempt to separate overlapped relaxation processes in Nyquist plots. By varying operating conditions and catalyst loadings, four main relaxation peaks arising from EIS can be identified and successfully separated from low to high frequencies as (P1) mass transport, (P2) oxygen evolution reaction kinetics, (P3) reaction kinetics (with faster time constant than P2), and (P4) ionic transport. Here, the shape, height, and frequency of the DRT peaks change with different membrane electrode assembly (MEA) configurations. Electron microscopy reveals distinct features from the cross-sectioned MEAs which verify critical DRT results in that increasing the iridium (Ir)-anode loading from 0.2 mgIr/cm 2 to 1.5 mgIr/cm 2 reduces kinetic losses due to higher site-access; a thick and compacted anode, however, also triggers higher ohmic resistances from membrane/catalyst layer hydration and increases transport losses due to longer ionomer pathways. DRT provides higher resolution to EIS for deconvoluting processes with different relaxation times and the quantification of DRT peaks improves the accounting of total losses from each process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

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↗
DOE OSTI2022

Overestimated Eddy Kinetic Energy in the Eddy‐Rich Regions Simulated by Eddy‐Resolving Global Ocean–Sea Ice Models

Abstract The performance of eddy‐resolving global ocean–sea ice models in simulating mesoscale eddies is evaluated using six eddy‐resolving experiments forced by different atmospheric reanalysis products. Interestingly, eddy‐resolving ocean general circulation models (OGCMs) tend to simulate more (less) energetic eddy‐rich (eddy‐poor) regions with a smaller (larger) spatial extent than satellite observation, which finally shows that larger (smaller) mesoscale energy intensity (EI) is simulated in the eddy‐rich (eddy‐poor) regions. Quantitatively, there is an approximately 27%–60% overestimation of EI in the eddy‐rich regions, which are mainly located in the Kuroshio–Oyashio Extension, the Gulf Stream, and the Antarctic Circumpolar Currents regions, although the global mean EI is underestimated by 25%–45%. Apparently, the eddy kinetic energy in the eddy‐poor region is underestimated. Further analyses based on coherent mesoscale eddy properties show that the overestimation in the eddy‐rich regions is mainly attributed to mesoscale eddies’ intensity and is more prominent when mesoscale eddies are in their growth stage.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Signatures of the exciton gas phase and its condensation in monolayer 1T-ZrTe 2

The excitonic insulator (EI) is a Bose-Einstein condensation (BEC) of excitons bound by electron-hole interaction in a solid, which could support high-temperature BEC transition. The material realization of EI has been challenged by the difficulty of distinguishing it from a conventional charge density wave (CDW) state. In the BEC limit, the preformed exciton gas phase is a hallmark to distinguish EI from conventional CDW, yet direct experimental evidence has been lacking. Here we report a distinct correlated phase beyond the 2×2 CDW ground state emerging in monolayer 1T-ZrTe 2 and its investigation by angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM). The results show novel band- and energy-dependent folding behavior in a two-step process, which is the signatures of an exciton gas phase prior to its condensation into the final CDW state. Our findings provide a versatile two-dimensional platform that allows tuning of the excitonic effect.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Excited quantum anomalous and spin Hall effect: dissociation of flat-bands-enabled excitonic insulator state

Quantum anomalous Hall effect (QAHE) and quantum spin Hall effect (QSHE) are two interesting physical manifestations of 2D materials that have an intrinsic nontrivial band topology. In principle, they are ground-state equilibrium properties characterized by Fermi level lying in a topological gap, below which all the occupied bands are summed to a non-zero topological invariant. In this work, we propose theoretical concepts and models of ‘excited’ QAHE (EQAHE) and EQSHE generated by dissociation of an excitonic insulator (EI) state with complete population inversion (CPI), a unique many-body ground state enabled by two yin-yang flat bands (FBs) of opposite chirality hosted in a diatomic Kagome lattice. The two FBs have a trivial gap in between, i.e. the system is a trivial insulator in the single-particle ground-state, but nontrivial gaps above and below, so that upon photoexcitation the quasi-Fermi levels of both electrons and holes will lie in a nontrivial gap achieved by the CPI-EI state, as demonstrated by exact diagonalization calculations. Then dissociation of singlet and triplet EI state will lead to EQAHE and EQSHE, respectively. Realizations of yin-yang FBs in real materials are also discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Collective modes in excitonic insulators: Effects of electron-phonon coupling and signatures in the optical response

Here, we consider a two-band spinless model describing an excitonic insulator (EI) on the two-dimensional square lattice with anisotropic hopping parameters and electron-phonon (el-ph) coupling, inspired by the EI candidate Ta 2 NiSe 5 . We systematically study the nature of the collective excitations in the ordered phase which originates from the interband Coulomb interaction and the el-ph coupling. When the ordered phase is stabilized only by the Coulomb interaction (pure EI phase), its collective response exhibits a massless phase mode in addition to the amplitude mode. We show that in the BEC regime, the signal of the amplitude mode becomes less prominent and that the anisotropy in the phase-mode velocities is reduced. Through coupling to the lattice, the phase mode acquires a mass and the signal of the amplitude mode becomes less prominent. Importantly, the character of the softening mode at the boundary between the normal semiconductor phase and the ordered phase depends on the parameters. In particular, we point out that even for el-ph coupling smaller than the Coulomb interaction, the mode that softens to zero at the boundary can have a phonon character. We also discuss how the collective modes can be observed in the optical conductivity. Furthermore, we study the effects of nonlocal interactions on the collective modes and show the possibility of realizing a coexistence of an in-gap mode and an above-gap mode split off from the single-amplitude mode in the system with local interactions only.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Flat-Band-Enabled Triplet Excitonic Insulator in a Diatomic Kagome Lattice

The excitonic insulator (EI) state is a strongly correlated many-body ground state, arising from an instability in the band structure of narrow-gap semiconductors towards exciton formation. Here we show that the flat valence and conduction bands of a Yin-Yang Kagome lattice, as exemplified in a superatomic graphene lattice, conspire to enable an interesting state of triplet EI, based on first-principles Density Functional Theory (DFT) calculations combined with many-body GW and Bethe-Salpeter Equation (BSE). As an intrinsic property of topological flat bands, highly localized electron and hole wavefunctions significantly reduce the screening and enhance the exchange interaction, leading to an unusually high triplet exciton binding energy (~1.2 eV) exceeding the GW band gap by ~0.2 eV and a huge singlet-triplet splitting of ~0.4 eV. Here, the flat-bands-enabled triplet EI state also points to the possibility of complete population inversion between the two topological flat bands for the realization of excited quantum spin Hall effect. Our findings enrich once again the intriguing physics of flat bands, which has drawn broad interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Excitonic Condensate in Flat Valence and Conduction Bands of Opposite Chirality

Excitonic Bose-Einstein condensation (EBEC) has drawn increasing attention recently with the emergence of 2D materials. A general criterion for EBEC, as expected in an excitonic insulator (EI) state, is to have negative exciton formation energies in a semiconductor. Here, using exact diagonalization of a multiexciton Hamiltonian modeled in a diatomic kagome lattice, we demonstrate that the negative exciton formation energies are only a prerequisite but insufficient condition for realizing an EI. By a comparative study between the cases of both conduction and valence flat bands (FBs) versus that of a parabolic conduction band, we further show that the presence and increased FB contribution to exciton formation provide an attractive avenue to stabilize the excitonic condensate, as confirmed by calculations and analyses of multiexciton energies, wave functions, and reduced density matrices. In conclusion, our results warrant a similar many-exciton analysis for other known and/or new candidates of EIs and demonstrate the FBs of opposite parity as a unique platform for studying exciton physics, paving the way to material realization of spinor BEC and spin superfluidity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗