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Privacy-Preserving Robust Consensus for Distributed Microgrid Control Applications

Consensus-based distributed control has been proposed for coordinating distributed energy resources (DERs) in microgrids (MGs). As one key component, distributed average observers are used to estimate the average of a group of reference signals (e.g., voltage, current, or power). State-of-the-art distributed average observers could lead to loss of privacy due to information exchange on the communication channels. The DERs' reference signals, which contain private information, could be inferred by an eavesdropper. In this article, a privacy-preserving distributed average observer is proposed that is based on robust consensus and uses the state decomposition method to preserve privacy. Compared to the existing methods, the proposed observer does not require the knowledge of the reference signal's derivative and gives accurate and smooth estimation, and is thus applicable for MG distributed control applications. A detailed analysis regarding the convergence and privacy properties of the proposed observer is presented. Here, the proposed observer is implemented on hardware controllers and validated in the context of distributed MG control applications through hardware-in-the-loop (HIL) tests.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effect of Na Concentration on Cs Distribution with Crystalline Silicotitanate in Tank Waste Simulants

Crystalline silicotitanate (CST) ion exchange media is currently utilized in the tank side cesium removal (TSCR) system on the Hanford site to remove Cs-137 from the tank waste supernate. As the main dose contributor to the liquid supernate in Hanford tank waste, it is necessary to remove the Cs-137 to expedite low activity waste processing and immobilization. Ongoing batch contact experiments with CST have been done to tease out the impact of group II metals, anions, potassium, and temperature on Cs removal to better understand bounding conditions for operations as well as aid in development of a wholesome isotherm model to predict Cs behavior in the tank waste. This paper discusses the impact of Na concentration on Cs exchange and provides insight into the challenges associated with activity coefficient estimations for modeling Cs distribution in tank waste matrices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physics-guided Deep Learning for Power System State Estimation

In the past decade, dramatic progress has been made in the field of machine learning. This paper explores the possibility of applying deep learning in power system state estimation. Traditionally, physics-based models are used including weighted least square (WLS) or weighted least absolute value (WLAV). These models typically consider a single snapshot of the system without capturing temporal correlations of system states. In this paper, a physics-guided deep learning (PGDL) method is proposed. Specifically, inspired by autoencoders, deep neural networks (DNNs) are used to learn the temporal correlations. The estimated system states from DNNs are then checked against physics laws by running through a set of power flow equations. Hence, the proposed PGDL is both data-driven and physics-guided. The accuracy and robustness of the proposed PGDL method are compared with traditional methods in standard IEEE cases. Simulations show promising results and the applicability is further discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Image-based solar estimates

An example device is configured to determine, based on a sky image of a portion of sky over a power distribution network and using a convolutional neural network (CNN)-based image regression model, an estimated global horizontal irradiance (GHI) value and manage or control the power distribution network using the estimated GHI value. The device may also be configured to determine, based on GHI values and aggregate load values for at least a portion of the power distribution network, using a Bayesian Structural Time Series model, an estimated photovoltaic power output value for the at least a portion of the power distribution network. The device may manage or control the power distribution network using the estimated photovoltaic power output value.

Bernstein, Andrey↗

Uncertainty quantification of the convolutional neural networks on permeability estimation from micro-CT scanned sandstone and carbonate rock images

Rock permeability is one of the most crucial properties affecting subsurface fluid flow behaviors. To accurately and robustly estimate the permeability, Digital Rock Physics, including micro-CT scanning technology and direct flow simulations on scanned images, has prevailed in recent years. Besides, machine learning techniques such as convolutional neural networks (CNNs) have been widely adopted and achieved success in permeability estimations directly from rock images. However, existing ML methods used for permeability estimation from rock images lack uncertainty quantification that causes unreliable predictions and overconfident estimations on out-of-distribution (OOD) samples. Here, in this work, we propose a PI3NN-CNN framework to address this problem. PI3NN-CNN consists of a CNN model for absolute permeability estimation and a PI3NN method to quantify the estimation uncertainty. It is able to quantify the uncertainty for in-distribution (InD) data with a desired confidence level, and identify OOD samples to avoid overconfident predictions. We demonstrate the method using micro-CT scanned images from two sandstone and two carbonate rocks. We found that PI3NN-CNN generates accurate predictions for InD samples, while producing high-quality prediction uncertainties regardless of the prediction accuracy. Meanwhile, PI3NN-CNN identifies OOD samples using its special network initialization scheme. The unique feature of PI3NN-CNN makes it applicable to more complex real-world image-based data for robust learning and predictions without overconfident estimations when the ground-truth information is unavailable.

58 GEOSCIENCES↗

Shallow and Deep Latent Heating Modes Over Tropical Oceans Observed with TRMM PR Spectral Latent Heating Data

The global hydrological cycle is central to the Earth's climate system, with rainfall and the physics of its formation acting as the key links in the cycle. Two-thirds of global rainfall occurs in the Tropics. Associated with this rainfall is a vast amount of heat, which is known as latent heat. It arises mainly due to the phase change of water vapor condensing into liquid droplets; three-fourths of the total heat energy available to the Earth's atmosphere comes from tropical rainfall. In addition, fresh water provided by tropical rainfall and its variability exerts a large impact upon the structure and motions of the upper ocean layer. Three-dimensional distributions of latent heating estimated from Tropical Rainfall Measuring Mission Precipitation Radar (TRMM PR)utilizing the Spectral Latent Heating (SLH) algorithm are analyzed. Mass-weighted and vertically integrated latent heating averaged over the tropical oceans is estimated as approx.72.6 J/s (approx.2.51 mm/day), and that over tropical land is approx.73.7 J/s (approx.2.55 mm/day), for 30degN-30degS. It is shown that non-drizzle precipitation over tropical and subtropical oceans consists of two dominant modes of rainfall systems, deep systems and congestus. A rough estimate of shallow mode contribution against the total heating is about 46.7 % for the average tropical oceans, which is substantially larger than 23.7 % over tropical land. While cumulus congestus heating linearly correlates with the SST, deep mode is dynamically bounded by large-scale subsidence. It is notable that substantial amount of rain, as large as 2.38 mm day-1 in average, is brought from congestus clouds under the large-scale subsiding circulation. It is also notable that even in the region with SST warmer than 28 oC, large-scale subsidence effectively suppresses the deep convection, remaining the heating by congestus clouds. Our results support that the entrainment of mid-to-lower-tropospheric dry air, which accompanies the large-scale subsidence is the major factor suppressing the deep convection. Therefore, representation of the realistic entrainment is very important for proper reproduction of precipitation distribution and resultant large-scale circulation.

Takayabu, Yukari N.↗

Joint Estimation of Behind-the-Meter Solar Generation in a Community

Distribution grid planning, control, and optimization require accurate estimation of solar photovoltaic (PV) generation and electric load in the system. Most of the small residential solar PV systems are installed behind-the-meter making only the net load readings available to the utilities. This paper presents an unsupervised framework for joint disaggregation of the net load readings of a group of customers into the solar PV generation and electric load. Our algorithm synergistically combines a physical PV system performance model for individual solar PV generation estimation with a statistical model for joint load estimation. The electric loads for a group of customers are estimated jointly by a mixed hidden Markov model (MHMM) which enables modeling the general load consumption behavior present in all customers while acknowledging the individual differences. At the same time, the model can capture the change in load patterns over a time period by the hidden Markov states. The proposed algorithm is also capable of estimating the key technical parameters of the solar PV systems. Our proposed method is evaluated using the net load, electric load, and solar PV generation data gathered from residential customers located in Austin, Texas. Testing results show that our proposed method reduces the mean squared error of state-of-the-art net-load disaggregation algorithms by 67%.

behind-the-meter solar generation↗

Quantifying parameters for Bayesian prior assumptions when estimating the probability of failure of software

Software reliability has become increasingly important, especially in life-critical situations. The ability to measure the results of testing and to quantify software reliability is needed. If this is accomplished, a certain minimum amount of reliability for a piece of software can be specified, and testing and/or other analysis may be done until that minimum number has been attained. There are many models for estimating software reliability. The accuracy of these models has been challenged and many revisions for the models and recalibration techniques have been devised. Of particular interest is the method of estimating the probability of failure of software when no failures have yet occurred in its current version as described by Miller. This model uses black box testing with formulae based on Bayesian estimation. The focus is on three interrelated issues: estimating the probability of failure when testing has revealed no errors; modifying this estimation when the input use distribution does not match the test distribution; and combining the results from random testing with other relevant information to obtain a possibly more accurate estimate of the probability of failure. Obtaining relevant information about the software and combining the results for a better estimate for the Miller model are discussed.

Long, Jacquelyn E.↗

Localization of Ad-Hoc Lunar Constellations in Communication Failure Modes for Distributed Spacecraft Autonomy

As lunar missions increase in complexity inspired by NASA’s Artemis Program, they will require reliable and sufficient capability of the Position, Navigation, and Timing (PNT) system to support their scientific objectives. In addition, NASA's Commercial Lunar Payload Services (CLPS) program initiates the proliferation of public and private exploration partnerships using small satellites from commercial and private organizations, expanding traditionally confined low Earth orbit to be used for missions beyond geosynchronous orbit (Zucherman et al., 2022). Therefore, the Lunar PNT system is also required to provide navigation services compatible with the smaller platforms being sent by the public and private sectors, like CubeSats. However, traditional approaches to deep space missions’ navigation based on ground radio facilities have difficulties in providing sufficient support for the increasing number of users and communication at a distance from the Earth (Kaplev et al., 2022). In particular, the existing Lunar navigation technologies such as weak signal global positioning system (GPS) and deep space network (DSN) are not able to ensure operations of the upcoming small-scale Lunar missions due to their limitations in localization performance as well as capacity aspects. Another way to provide Lunar PNT service is to create a dedicated Lunar global navigation satellite system (GNSS) constellation, like GNSS systems on Earth. Space agencies like NASA, ESA, and JAXA are now developing the lunar communications relay and navigation systems (LCRNS) and Lunar navigation satellite systems (LNSS). In their systems, satellites will be deployed in moon orbits to provide the communication, positioning, navigation, and timing (CPNT) service at the lunar south pole region where the Artemis base camp will be expected (Murata et al., 2022). Meanwhile, common challenges considered in lunar PNT research arise from poor geometry of the terrestrial GNSS satellites when seen from the lunar user, highly perturbed lunar orbits, and limitations in power, size, and cost of the equipment on lunar satellites (Iiyama et al., 2023). It is also not clear if there will be enough Lunar users to support the cost and resources this would require as the Low-cost surface missions may not be able to support the large power, mass, and weight requirements that these navigation solutions entail (Niemoeller et al., 2022). As an alternative, existing Lunar science and exploration assets could be used to create a low-cost, autonomous, ad-hoc, and on-demand mission-centric Lunar PNT swarm capable of providing PNT services to these low-cost lunar missions (Hagenau et al., 2021). Introducing the non-dedicated and ad-hoc Lunar navigation constellation gives a way to provide PNT services on-demand. The non-dedicated swarm assets of Lunar constellations are designed to localize themselves with minimal interaction with Earth by adding cooperative autonomous localization to lunar missions, freeing up valuable bandwidth and ground segment resources. An autonomous localization of Lunar constellations is based on the concept of the decentralized PNT system with a distributed extended Kalman filter (DEKF) approach to state estimation for minimal onboard operating costs. In the distributed data processing algorithm, computation is broken down and assigned to each satellite, resulting in a considerably decreased computational amount while maintaining the accuracy of the orbit ephemeris and clock offsets as the result of centralized data processing (Wen et al., 2019). The DEKF requires spacecraft to perform two-way ranging operations with each other to communicate simultaneously, leveraging neighbor two-way intersatellite link (ISL) measurements such as pseudoranges to, and relative velocities between, visible satellites as sensor values (Frank et al., 2021). The Lunar autonomous PNT simulation (LAPS) demonstrated the feasibility of orbital asset localization among ad-hoc Lunar small-sat constellations based on the DEKF in Hagenau et al. (2021) and evaluated the matching algorithm proposed by Frank et al. (2021) in scheduling position estimation updates. In previous papers, all assets and measurements are assumed to be always available without consideration of the impact of intermittent and permanent communication failure. This study presents localization performance with increasing levels of network degradation for swarm assets and users to demonstrate the robustness of the decentralized Lunar PNT service in more realistic scenarios. Main issues arising from communication failure include spacecraft permanent or transient loss, antenna failures, message delays, etc. We tested four possible reasons for network degradation for 7 days in 21 satellites frozen with an altitude of 5500 km, evenly spaced around 3 circular, 40 inclination orbital planes where each spacecraft has two directional antennas. As anchor nodes with an independent estimate of their position are required in the DEKF approach, two ground nodes in each pole and one node in the gateway were implemented in the simulation. First, the most probable failure scenario involves the loss of a single spacecraft due to solar interference and technical malfunctions of the assets. Losing the availability of a single spacecraft means losing the two-way ISL measurement of the asset in the DEKF update. In order to provide the best possible quality of PNT service with limited time and resources, the distributed Lunar constellations must schedule the communication activities. The scheduler leverages mixed-integer linear programming (MILP) for the coordination and scheduling of the desired “as-needed” localization service (Niemoeller et al., 2022). We assume the scheduler has completely excluded the spacecraft information before the DEKF update in the failure scenario. When a random spacecraft has been turned off at a specific time, the robustness of the autonomous Lunar PNT system is evaluated. The simulation results give an 11.5% degradation in median position accuracy compared to the idealized performance excluding the asset loss. Second, a large number of assets may vanish due to major hardware problems or meteor strikes around the moon. A multiple spacecraft loss can degrade the localization performance very fast by losing the communication ability to do cross-plane measurements and in-plane measurements in a 3-plane constellation. When the matching-based scheduler is aware of ISL availability, we investigate a large number of in-plane and cross-plane asset vanishments both in close proximity and equally spaced throughout the orbital plane. According to the simulations, the loss of in-plane measurements gives 40.2% degradation while cross-plane measurements degrade 50.5% of asset localization performance among available assets. Therefore, it is concluded that cross-plane measurements are more important in improving the position estimation accuracy. Third, spacecraft failure information can be lost due to the internal message delay, resulting in the DEKF update scheduler to solve the matching problem with unavailable assets. The DEKF update cycle is comprised of network setup, communication, and computations where a global broadcast network and a 2-way ISL network setup take 6 minutes in total (Frank et al., 2021). Once the broadcast network successfully transmits and receives information, a random spacecraft may lose its availability right before solving the matching problem. This means the matching solution is no longer optimal, resulting in degradation in the localization performance. A numerical assessment shows the matching-based scheduler with knowing failure holds 11.5% of position accuracy degradation, whereas the scheduler without knowing failure gives 34% degraded localization performance without asset loss. Fourth, a transient loss of a single or multiple spacecraft may occur due to their antenna outages. After losing the two-way ISL availability for a few DEKF update cycles, the availability of spacecraft can easily be recovered as their states have been independently updated using measurements from anchor nodes. It is likely that the longer failure will result in worse localization performance. We have tested the transient failure of a random single asset for 30 min in the simulation, which is losing 3 update cycles in the DEKF system. From the simulation results, the position accuracy has been degraded to 4.84% which is better than the degraded localization performance of 11.5% from the permanent loss scenario among available assets. In conclusion, the autonomous Lunar PNT system based on the DEKF approach shows the ability to maintain resilience and robustness in the possible communication failure scenarios, ensuring that localization accuracy is preserved across various network degradation and outages. Future studies on investigating user localization performance near the South Pole and the broadcast network system will be continued in the following months.

Yeji Kim↗

High frequency sound attenuation in short flow ducts

A geometrical acoustics approach is proposed as a practical design tool for absorbent liners in such short flow ducts as may be found in turbofan engine nacelles. As an example, a detailed methodology is presented for three different types of sources in a parallel plate duct containing uniform ambient flow. A plane wave whose wavefronts are not normal to the duct walls, an arbitrarily located point source, and a spatially harmonic line source are each considered. Optimal wall admittance distributions are found, and it is shown how to estimate the insertion loss for any admittance distribution. The extension of the methodology to realistic source distributions in variable area cylindrical or annular ducts containing arbitrary flow is shown to be conceptually straightforward and computationally practical on a vector-hardware digital computer.

Posey, J. W.↗

Mars Entry Atmospheric Data System Modeling, Calibration, and Error Analysis

The Mars Science Laboratory (MSL) Entry, Descent, and Landing Instrumentation (MEDLI)/Mars Entry Atmospheric Data System (MEADS) project installed seven pressure ports through the MSL Phenolic Impregnated Carbon Ablator (PICA) heatshield to measure heatshield surface pressures during entry. These measured surface pressures are used to generate estimates of atmospheric quantities based on modeled surface pressure distributions. In particular, the quantities to be estimated from the MEADS pressure measurements include the dynamic pressure, angle of attack, and angle of sideslip. This report describes the calibration of the pressure transducers utilized to reconstruct the atmospheric data and associated uncertainty models, pressure modeling and uncertainty analysis, and system performance results. The results indicate that the MEADS pressure measurement system hardware meets the project requirements.

Karlgaard, Christopher D.↗

Mechanism Design for Demand Response Programs

Demand response (DR) programs serve to reduce the consumption of electricity at times when the supply is scarce and expensive. Consumers or agents with flexible consumption profiles are recruited by an aggregator who manages the DR program. The aggregator calls on a subset of its pool of recruited agents to reduce their electricity use during DR events. Agents are paid for reducing their energy consumption from contractually established baselines. Baselines are counter-factual consumption estimates of the energy an agent would have consumed if they were not participating in the DR program. Baselines are used to determine payments to agents. This creates an incentive for agents to inflate their baselines in order to increase the payments they receive. There are several newsworthy cases of agents gaming their baseline for economic benefit. We propose a novel self-reported baseline mechanism (SRBM) where each agent reports its baseline and marginal utility. These reports are strategic and need not be truthful. Based on the reported information, the aggregator selects or calls on agents with a certain probability to meet the load reduction target. Called agents are paid for observed reductions from their self-reported baselines. Agents who are not called face penalties for consumption shortfalls below their baselines. Under SRBM, we show that truthful reporting of baseline consumption and marginal utility is a dominant strategy. Thus, SRBM eliminates the incentive for agents to inflate baselines. SRBM is assured to meet the load reduction target. To conclude, we show that SRBM is almost optimal in the metric of average cost of DR provision faced by the aggregator.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Preliminary Estimation of Black Carbon Deposition from Nepal Climate Observatory-Pyramid Data and Its Possible Impact on Snow Albedo Changes Over Himalayan Glaciers During the Pre-Monsoon Season

The possible minimal range of reduction in snow surface albedo due to dry deposition of black carbon (BC) in the pre-monsoon period (March-May) was estimated as a lower bound together with the estimation of its accuracy, based on atmospheric observations at the Nepal Climate Observatory-Pyramid (NCO-P) sited at 5079 m a.s.l. in the Himalayan region. We estimated a total BC deposition rate of 2.89 g m-2 day-1 providing a total deposition of 266 micrograms/ square m for March-May at the site, based on a calculation with a minimal deposition velocity of 1.0 10(exp -4) m/s with atmospheric data of equivalent BC concentration. Main BC size at NCO-P site was determined as 103.1-669.8 nm by correlation analysis between equivalent BC concentration and particulate size distribution in the atmosphere. We also estimated BC deposition from the size distribution data and found that 8.7% of the estimated dry deposition corresponds to the estimated BC deposition from equivalent BC concentration data. If all the BC is deposited uniformly on the top 2-cm pure snow, the corresponding BC concentration is 26.0-68.2 microgram/kg assuming snow density variations of 195-512 kg/ cubic m of Yala Glacier close to NCO-P site. Such a concentration of BC in snow could result in 2.0-5.2% albedo reductions. From a simple numerical calculations and if assuming these albedo reductions continue throughout the year, this would lead to a runoff increases of 70-204 mm of water drainage equivalent of 11.6-33.9% of the annual discharge of a typical Tibetan glacier. Our estimates of BC concentration in snow surface for pre-monsoon season can be considered comparable to those at similar altitude in the Himalayan region, where glaciers and perpetual snow region starts in the vicinity of NCO-P. Our estimates from only BC are likely to represent a lower bound for snow albedo reductions, since a fixed slower deposition velocity was used and atmospheric wind and turbulence effects, snow aging, dust deposition, and snow albedo feedbacks were not considered. This study represents the first investigation about BC deposition on snow from atmospheric aerosol data in Himalayas and related albedo effect is especially the first track at the southern slope of Himalayas.

Yasunari, T. J.↗

Seismic Analysis of Spatio-Temporal Fracture Generation During EGS Resource Development

This DOE GTO funded project was a collaborative effort between Array Information Technology and the University of California at Berkeley. The project goal is to improve technology to assess in-situ stress magnitude and orientation, kinematic fracture parameters, rupture size, rupture orientation as well as temporal changes and volumetric distribution of the injected fluid during Enhanced Geothermal System (EGS) resource development. The project leveraged high-frequency seismic data recorded by the LBNL 34-station permanent geophone network and seismic broadband data recorded by a temporary 33-station seismometer network that operated in The Geysers during the injection phase of the DOE GTO funded EGS demonstration project at the well Prati-32. The operation of the broadband network with high station density and good azimuthal coverage to monitor the injection phase produced an unprecedented dataset that is typically unavailable for EGS operations. The two datasets offer the advantages of studying the parameters under investigation over a broader frequency band and the higher sensitivity of the broadband seismometers resulted in a richer dataset with a lower magnitude of completeness. Moment tensor (MT) inversion have been employed to develop a catalog of earthquake source solutions including moment tensor and finite source rupture area. This resulted in a 168-event waveform-based seismic moment tensor catalog for events 0.7≤Mw≤3.9 based on a semi-automated moment tensor analysis technique. The MT solutions were used for in-situ stress estimation during the EGS injection phases. We found an approximate 15-degree counterclockwise rotation of the least compressive stress sigma-3, and a rotation of the maximum compressive stress sigma-1 toward the vertical as the injected volume of water increased. We developed a rupture-area magnitude scaling relationship of The Geysers earthquakes obtained from finite-source inversion for fault slip that reveals a very high correlation to published results. Based on the rupture area-magnitude relationship we mapped Mw from the LBNL earthquake catalog to estimate the activated fracture area, its location and orientation within the injection volume of Prati-32. The double-difference Wadati (DDW) technique was applied to high-accuracy P- and S-wave differential travel times derived from waveform cross correlation to image fluid saturation in the subsurface based on Vp/Vs-ratio. The recently developed technique has been applied to estimate temporal changes of fluid distribution in fault zones and in volcanic regions but not yet in engineered geo-reservoirs. The improvement of the technology includes high-resolution waveform cross correlation applied to the high-quality datasets with lower magnitude of completeness resulting in a higher number of recorded events. The improvement allowed to estimate both, the spatial and temporal distribution of injected fluids and the state of the injected fluid during reservoir stimulation. Results of the DDW analysis revealed the development of an injection-derived steam plume during the early injection phase, particularly in the northern part of the Prati-32 study area.

15 GEOTHERMAL ENERGY↗

Oceanic Fluxes of Mass, Heat and Freshwater: A Global Estimate and Perspective

Data from fifteen globally distributed, modern, high resolution, hydrographic oceanic transects are combined in an inverse calculation using large scale box models. The models provide estimates of the global meridional heat and freshwater budgets and are used to examine the sensitivity of the global circulation, both inter and intra-basin exchange rates, to a variety of external constraints provided by estimates of Ekman, boundary current and throughflow transports. A solution is found which is consistent with both the model physics and the global data set, despite a twenty five year time span and a lack of seasonal consistency among the data. The overall pattern of the global circulation suggested by the models is similar to that proposed in previously published local studies and regional reviews. However, significant qualitative and quantitative differences exist. These differences are due both to the model definition and to the global nature of the data set.

MacDonald, Alison Marguerite↗

Direct Characterization of Atomically Dispersed Catalysts: Nitrogen-Coordinated Ni Sites in Carbon-Based Materials for CO 2 Electroreduction

Metal, nitrogen-doped carbon materials have attracted interest as heterogenous catalysts that contain MN x active sites that are analogous to molecular catalysts. Of particular interest is Ni,N-doped carbon, a catalyst that is active for the electrochemical reduction of CO 2 to CO. Critical to the understanding of these materials is proof of single atomic sites and characterization of the environment surrounding the metal atom; however, directly probing this coordination remains challenging. This challenge is addressed in this study by combining scanning transmission electron microscopy (STEM), single atom electron energy loss spectroscopy (EELS), and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Through STEM imaging, atomic dispersion of Ni in the carbon framework is confirmed and image analyses are utilized to give semiquantitative estimates of neighbor distance distributions and site densities of Ni atoms. Atomic resolution EELS demonstrates that N and Ni are colocated at the single Ni atom sites suggesting Ni–N coordination. ToF-SIMS reveals a distribution of NiN x C y - fragments that reflect the Ni–N bonding environments within Ni,N-doped carbon. The fragmentation from Ni,N-doped carbon is similar to Ni phthalocyanine, suggesting the existence of heterogenized, molecular-like NiN 4 active sites which motivates future studies that leverage insight from molecular catalysis design to develop next-generation heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics of Intra-Cell Thermal Front Propagation in Lithium-Ion Battery Safety Issues

Thermal runaway (TR), a critical failure mode in lithium-ion batteries (LIBs), poses significant safety risks and hinders wider application of LIBs. TR typically begins at a localized heat source and spreads across the cell. Understanding thermal front propagation (TFP) characteristics, such as front and velocity, is crucial for assessing energy release and temperature distribution for battery hazardous estimation. Recent studies assume that TR within cells propagates at a near-constant velocity, based on the reaction kinetics and thermal properties. Here, in this study, an intra-battery TR model is further proposed and it indicates that TFP velocity stabilizes when the front is distanced from the heat source. Theoretical estimates for propagation velocity and front are developed and validated through numerical simulations and experimental tests from the NREL Battery Failure Databank. The energy release rate during TFP and the impact of preheating based on a point heat source are explored. This work clarifies the long-standing clouds of the thermal font propagation behaviors within the single cell, highlights the power and beauty of mathematics modeling to describe the complicated thermal behaviors, and provides important guidelines for thermal hazardous understanding for next-generation batteries.

25 ENERGY STORAGE↗

Finite Element Analysis and Techno-economic Modeling of Solar Silicon Molten Salt Electrolysis

A new process is presented for low-cost one-step production of pure solid silicon from natural quartzite by molten salt electrolysis. At a process temperature of 1100°C, a techno-economic model including detailed mass and energy balances estimates energy consumption below 15 kWh/kg, with operating cost of $\$1.74$/kg and capital cost around $\$10,500$ per t/a (tonne annually) of production capacity for a 160,000 t/a plant. Use of an inert solid oxide membrane anode results in a pure oxygen by-product and no direct emissions. As a result, finite element analysis estimates the current density distribution and total current to inform the design of slab-shaped solid silicon cathodes.

14 SOLAR ENERGY↗