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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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556 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Heterogeneous damage in Li-ion batteries: Experimental analysis and theoretical modeling

We assess the heterogeneous electrochemistry and mechanics in a composite electrode of commercial batteries using synchrotron X-ray tomography analysis and microstructure-resolved computational modeling. We visualize the morphological defects at multi-scales ranging from the macroscopic composite, particle ensembles, to individual single particles. Particle fracture and interfacial debonding are identified in a large set of tomographic data of active particles. Mechanical failure in the regime near the separator is more severe than toward the current collector. The active particles close to the separator experience deeper charge and discharge over cycles and thus are more mechanically loaded. The difference in the Li activity originates from the polarization of the electrolyte potential and the non-uniform distribution of the activation energy for the charge transfer reaction. We model the kinetics of intergranular fracture and interfacial degradation to confirm that the various Li activities are the major cause of the heterogeneous damage. The interfacial failure may reconstruct the conductive network and redistribute the electrochemical activities that render a dynamic nature of electrochemistry and mechanics evolving over time in the composite electrode. We further quantify the influence of the mechanical damage on the metrics of battery performance. We simulate the electrochemical impedance profile to build a relationship between the interfacial debonding and the impedance of electron transport and surface charge transfer. Lastly, the mechanical failure disrupts the conduction path of electrons and results in significant polarization and capacity loss in batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

COVID-19 Data Curation Effort: An Initial Analysis of the Data

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a county level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes, combined with the unpredictable shifts in data format, meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. Further, the team had to scale up staff and widen its approach for capture and storage. As a result, the team collected more than 11 million data points. Following the close of this data collection effort on June 30 th , 2020, the team embarked on a major effort to appraise what had been collected, including an inventory list, spatial completeness, temporal completeness, scale and geographic characteristics, and a determination. A report on this matter was submitted on September 15 th , 2020, titled “DOE COVID-19 Data Curation Effort: Overview of Data Collection Coverage”. Over 2000 unique attributes had been netted over a wide range of spatial scales, including state, county, zip codes, health regions, and census blocks. Over 11 million individual data points were collected across these attributes, and spatial coverage (in total) included all 50 states and multiple territories. What became apparent in the process is that in the absence of any data standards, many states reported a wide variety of unique attributes that were not always compatible with attributes reported in other states. As time continued, states began adding new attributes and offering finer grain detail in some older attributes. This meant that not all data streams existed for the entire time period; in fact, the number tended to increase dramatically towards the end. Often, states would begin an attribute series and then stop altogether. These highly variable and uncertain conditions illuminated the need for harmonization approaches that would reconcile and conflate changing attribute names and detail over time. For example, grouping racial data reported as either Black or African American, depending on the state, into a single harmonized attribute. These choices would make a within-state analysis possible during the time period and lead to potential between-state analytics later on. This was almost entirely a manual decision process, requiring some subjective decision-making at times, to prevent a fragmented, short-lived collection of time series fragments that would offer few insights into trends, patterns, and correlates. This report imports harmonized data for state and county into the World Spatio-Temporal Analytics and Mapping Project (WSTAMP). WSTAMP is a major space-time analysis and visualization tool developed at ORNL for the National Geospatial-Intelligence Agency specifically for this kind of exploratory analysis. WSTAMP offers a rich analytical and graphical environment consisting of a wide range of analytics. These include time series plots, statistical summaries, data mining techniques, trend and pattern detection, and hypothesis generation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Visualizing the SEI formation between lithium metal and solid-state electrolyte

The solid electrolyte interphase (SEI) is regarded as the most important factor affecting the durability of lithium-metal anode in all-solid-state batteries (ASSBs). Despite its significance, the nucleation and growth mechanism of SEI is not yet well understood. Here, we elucidate the thermodynamics and kinetics governing SEI formation at the Li|β-Li 3 PS 4 interface at the atomic scale via thermodynamic phase equilibrium analysis and machine-learning-potential-assisted molecular dynamics (MD) simulations. An accurate moment tensor potential using the machine-learning method is developed for a reactive model of Li|β-Li 3 PS 4 . This potential enabled us to perform large-scale MD simulations with the model size expanded to the experimental dimensions (~40 nm) while maintaining the same level of accuracy as density functional theory calculations. The results reveal a four-stage evolution process at the Li|β-Li 3 PS 4 interface, namely (i) fast ion diffusion, (ii) nucleation, (iii) Li 2 S growth, and (iv) stabilization. Notably, we demonstrate that the SEI can be categorized into crystalline and amorphous regions. The simulated SEI thickness, structure, and composition closely match experimental findings, validating the accuracy of the MD simulations. We further disclose the significant impact of ion diffusion kinetic limitations on the phase formation and crystallization of interfacial products. Furthermore, we shed light on the detailed potential energy (PE) distribution of lithium along the direction perpendicular to the interface. Finally, this information is crucial for better understanding interfacial ion mobility.

25 ENERGY STORAGE↗
DOE OSTI2021

SISGR: Chemomechanics of Far-From-Equilibrium Interfaces (COFFEI)

Portable, reliable, and deployable devices for energy storage and conversion require fundamental changes in design of solid-state composites comprising ceramics and metals. These materials comprise the electrodes and electrolytes of next-generation solid-oxide fuel cells and all solid-state batteries, forming solid-state functional composites. The advent of solid-state batteries – which replace liquid electrolytes with solid electrolytes capable of lithium ion transport for reliable energy storage in portable batteries – and the increased demand space for all solid-state fuel cells capable of oxygen reduction at intermediate temperatures remain important challenges for improved material stability and decreased system cost. However, little is understood about three fundamental facets of materials that enable such solid-state energy applications. First, how do such materials deform, fracture, or delaminate under operando conditions? Second, how does such mechanical deformation limit or facilitate electronic and ionic transport within and across such material interfaces? Third, how we can predictably design interface-rich composites to engineer both structural and electrochemical stability? This COFFEI Group comprised expertise from Materials Science & Engineering and Nuclear Science & Engineering to integrate unique in situ experiments, simulations, and fabricated interfaces that address these fundamental questions in solid-state interfaces of nanoscale composites that will guide solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric materials that enable such applications. In particular, we built on COFFEI’s understanding of chemomechanical coupling among defect concentrations, ionic transport, electron transport, and stored elastic energy that is particularly acute in the far-from-equilibrium conditions typical of energy device applications. By tailoring our focus to solid-state interfaces, we addressed these important issues by (a) developing and applying advanced in situ and ex situ characterization tools to characterize model materials and interfaces synthesized with molecular-level control, under both laboratory-controlled and extreme environments representative of energy device operation; and (b) employing computational modeling and simulation frameworks to predict transport mechanisms, reactivity and stability of these model materials and interfaces under significant chemical strains typical of energy device operation. Recent progress provided insights to additional materials systems and electrochemomechanical fatigue and fracture that were not fully envisioned when the program was initiated. Specifically, in the final three years of COFFEI we pursued two integrated thrusts, with complementary focus. Thrust I focused on failure-resistant electrochemomechanical composites, while Thrust II focused on strain-modulated conductivity and reactivity across interfaces. In contrast to our initial COFFEI focus, these thrusts concentrated wholly on solid-state material interfacial interactions and included greater integration of multiscale visualization including in situ electron microscopy of strained structures/interactions and mesoscale simulations. Successful development of functionally superior and long-lived battery and fuel cell systems and stress adaptable oxides requires a deeper, fundamental understanding of the coupling among the historically important subfields of solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric metal oxide electrodes. In this program, the understanding and the application of chemomechanical coupling of defect concentrations, ionic transport, electro-catalytic activity and stored elastic energy, particularly acute in the far-from-equilibrium conditions typical of energy device applications, are being refined and implications for device operation clarified, including for miniaturized solid-state batteries and fuel cells.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Voronoi Meshing to Accurately Capture Geological Structure in Subsurface Simulations

Mesh generation lies at the interface of geological modeling and reservoir simulation. Highly skewed or very small grid cells may be necessary to accurately capture the geometry of geological features, but the resulting poorly scaled or small grid cells can have a substantial negative impact on simulator accuracy and speed. One way to minimize numerical errors caused by gridding complex structures is to simulate on high-quality Voronoi meshes, which reduce grid orientation effects in fluid flow. This work presents a complete methodology to create Voronoi simulation grids, model fluid flow in complex geological systems, and visualize the results. A recently developed Voronoi meshing method that can automatically generate provably good unstructured meshes that conform to input surfaces creating closed volumes is used. Initially an analytical benchmark simulation is presented to validate the quality of the meshes and simulation results and demonstrate the superiority of simulation results using Voronoi meshes over flexed-hexahedral meshes on a domain with internal features. Next, meshes are created for test structures representing four of the most common geological features in the subsurface: layering, pinch-out, an interior lens that tapers to zero thickness on all sides and a fault with offset. Two benchmark flow simulations are run for each test structure. Finally, a realistic geological example for CO 2 injection into an anticline is simulated. Three realizations of the Voronoi mesh at the same resolution are generated for the simulations. Each mesh is highly refined near the injection wells and coarse in areas of less interest. These three meshes are used to model the CO 2 plume in the subsurface as it migrates to the top of the structure and then fills downward. Simulations on the meshes with randomly generated elements inside the input volumes each give slightly different fingering patterns for the viscous-unstable buoyant gas flow. The results presented in this work show a promising step towards utilizing fully automated Voronoi meshing for subsurface flow simulations in complex geology.

58 GEOSCIENCES↗
DOE OSTI2025

Insights Into Thermal Runaway Mechanisms: Fast Tomography Analysis of Metal Agglomerates in Lithium-Ion Batteries

Thermal Runaway (TR) in lithium-ion batteries (LIB) is a critical technological and social concern. Whilst such events are rare, TR is characterized by uncontrollable heating leading to catastrophic failures. To deepen the understanding of the failure process and subsequently develop more accurate TR prediction models and as a result safer battery systems, we present in this work high-speed X-ray tomography for in-depth investigations of the copper current collector melting and agglomeration during TR. The melting process presents valuable real-time internal information about heat evolution during TR, previously challenging to access but crucially important for validating TR models. In this work, controlled failure studies combined with high-speed X-ray tomography were performed on two different commercial LIB models, subjecting them to both external heating and nail penetration to induce TR. Through real-time observation via high-speed tomography, followed by segmentation, rendering, and analysis, the formation of copper agglomerates was qualitatively and quantitatively characterized and visualized for the first time. Agglomerates tended to form either from the battery's outermost layers or centrally, depending on the method of TR initiation, and gives an indirect insight into the internal temperature evolution and distribution. Moreover, an initial comparative analysis between the battery models also revealed differences in agglomerate size, which has been linked to the thicker copper current collectors of one of the cell models. We further discuss the impact of larger copper agglomerates on heat distribution and safety. This study not only sheds light on the intricate dynamics of TR in LIBs but also underscores the pivotal role of 'gold-standard' imaging techniques in advancing battery safety, crucial for the robust modeling of TR and the future design of electric vehicle safety systems.

25 ENERGY STORAGE↗
DOE OSTI2026

4D insights into lithium-ion battery sidewall rupture during thermal runaway

Thermal runaway (TR), characterized by rapid exothermic reactions, presents a serious safety risk in lithium-ion batteries (LiBs). External triggers such as high temperatures, mechanical abuse, or internal short circuits (ISCs) can initiate TR, often resulting in sidewall rupture, which may escalate to catastrophic battery pack failure. In this study, we developed and applied high-speed synchrotron imaging techniques to investigate sidewall rupture mechanisms in LiBs subjected to different triggering scenarios. Using in situ 4D tomographic imaging, we visualized the dynamic evolution of sidewall rupture with high spatial and temporal resolution. The results revealed distinct failure behaviors linked to each trigger, underscoring the complex and condition-specific nature of sidewall breach and battery failure. These insights highlight the critical importance of implementing tailored safety strategies across diverse applications. Our findings demonstrate the powerful potential of synchrotron high-speed tomography as a diagnostic tool for advanced safety testing and cell qualification.

25 ENERGY STORAGE↗
DOE OSTI2026

In Situ Li Seed Formation Enables Uniform Plating in Anode-Free Solid-State Batteries

Anode-free solid-state batteries (AFSSBs) are a promising route toward achieving high energy density. In these cells, the anode contains no pre-stored lithium (Li). Instead, all Li inventory originates from the cathode and is freshly deposited onto a bare current collector during charging. However, achieving uniform and defect-free Li plating on this bare current collector remains a major challenging, often resulting in low Li plating/stripping efficiency and rapid capacity decay. Here, for the first time, operando neutron imaging is employed to visualize Li plating/stripping behavior in an anode-free full cell with LiNi 0.82 Mn 0.07 Co 0.11 O 2 (NMC) as the cathode. Operando measurements reveal that complete stripping of Li leaves isolated Li residues on the current collector, which degrades interfacial contact between the current collector and solid-state electrolyte. To mitigate this interfacial issue and promote more uniform Li deposition, we implement a discharge cutoff voltage strategy that intentionally retains a thin residual Li layer after stripping. This thin Li layer, serving as an in situ–formed seed layer, not only enables more homogeneous subsequent Li plating but also improves interfacial contact. As a result, the anode-free cell with a controlled discharge voltage of 3.5 V exhibits excellent long-term cycling stability, maintaining a discharge capacity of 116 mAh g -1 with a retention rate of 83.4% and an average Coulombic efficiency of approximately 99.9% after 430 cycles at 0.25 C. In contrast, the cell with a conventional discharge cutoff voltage of 2.8 V exhibits rapid capacity decay, retaining only 59.7 mAh g -1 after 50 cycles with a capacity retention of 40.7%. This work offers a practical strategy to unlock the long-term viability of anode-free solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Visualizing diverse lithium growth and stripping behaviors in anode-free solid-state batteries with operando X-ray tomography

Anode-free solid-state batteries (SSBs), which eliminate the need for lithium metal use during cell assembly, have the potential to enable high energy densities and simplified manufacturing. However, the factors that control lithium growth/stripping at the anode current collector are not well understood. Here, we use operando X-ray microcomputed tomography to comprehensively image and quantify lithium deposition and stripping under various conditions in three different Li|Li 6 PS 5 Cl|current collector cells, revealing diverse behavior that depends on interface morphology, cell resistance, and solid-state electrolyte (SSE) microstructure. A cell with high resistance exhibits extensive lithium filament growth across the entire current collector interface, with filaments that grow around pre-existing pores in the SSE rather than lithium filling these pores. Lithium filament formation is partially reversible, with the cracks shrinking as lithium metal is stripped. Uniform lithium deposition is achievable at low current densities in low-resistance cells, whereas higher current densities in these cells cause an increase in interfacial roughness, which is correlated with subsequent filamentary growth at the edges of the cell. These results provide insight into filamentary vs. planar lithium growth and highlight that the evolution of lithium is sensitively dependent on SSE microstructure and electrochemical processes.

25 ENERGY STORAGE↗
DOE OSTI2019

Remote Technology to Retrieve Waste Below the 324 Building at the Hanford Site - 19622

The Waste Technology Engineering Laboratory (324 Building) is a Category 2 Nuclear Facility at Hanford. The 324 Building Disposition Project is responsible for the removal and remedial actions under CERCLA. Additionally, there are RCRA Dangerous Waste Management Units which the CERCLA actions are presumed to satisfy. The Radiochemical Engineering Complex (REC) is a group of four hot cells (A, B, C and D Cells) with an interconnecting airlock inside of the 324 Building. Underneath the REC B-Cell are contaminated soils that have an estimated 12,793 R/Hr dose rate and remediation is under CERCLA 300-FF-2 Operable Unit. The current action consists of debris removal from the floor of B-Cell, B-Cell floor removal, and excavation of the soils beneath the floor to a depth of up to twelve feet with four Remote Excavator Arms (REA). This paper provides insight into the preparation and performance of high tolerance core drilling into a hot cell complex. Installation of the REA Through Support (REA TS) mechanism through the 4'-6' concrete shield walls is a complex series of tasks with demanding tolerances at each of four locations around the perimeter of B-Cell. The use of training mock ups was included in the completion of this work. The REA TS is two 11 inch diameter high strength steel sleeves that have expandable collars at each end allowing the interstitial space between the outside of the sleeve and inside of the core drill to be grouted to form a substantial structural connection, and a 10 inch pipe with hydraulic hoses to power the REA. There are three cores required for each REA location. The REAs themselves are customized excavator arms, mounted on support columns to be used in the excavation and transfer of the contaminated soil into storage facilities. The tasks for the installation of the REA TSs are: 1) Characterization of B-Cell Cubicles. 2) Embedded Pipe Fill. 3) Interference Removal. a. Internal Walls, b. External Walls. 4) Core Drilling. 5) Go/No-Go gauge, and video inspection. 6) Installation of REA Through Support Assembly. The 324 Building REC Hot Cells have internal, external, and embedded utilities throughout the shield walls in conflict with the REA TS locations. Some of the embedded utilities have connection points inside of the B-Cell Cubicles. There were two separate issues at the conflicted locations. The first issue was the core drill cooling water would flow along the embedded utility potentially spreading legacy chemical and radiological contamination to areas of the facility that was unwanted. The second issue was that the REA TS required a substantial structural connection to the B-Cell wall, the cored diameter is larger than the REA TS and these interstitial areas required a full grouted connection. The embedded utilities posed a hazard that if unfilled, the interstitial grout would flow into the embedded utility and destabilize the required grouted structural connection. The B-Cell Cubicles had not been opened in over 10 years. A mockup was completed to install a glovebag over the cubicle opening and then to verify functionality and port requirements. The embedded utility pipe connections in the cubicles were then opened inside a glovebag to verify the correct connection points, connection method for future embedded pipe fill material delivery system, radiological characterization, and air flow to show that the embedded utility pipes were not blocked and would not pressurize. The embedded pipe fill material and grout system was mocked up and run several times to verify methodology and functionality. The B-Cell Cubicles were then reentered and the embedded utility pipe fill was completed using a hand pump. External interferences at the core drill locations were removed using standard interference removal techniques. Internal interferences at the core drill locations were removed using a remote cutting tool that was controlled through the use of the B-Cell crane, remote cameras and remote lighting. The core drilling was mocked up two separate times, the project's purpose built 'Mock Up Facility' was core drilled to verify tolerances and methodology prior to subcontract award, the core drill subcontractor built a 'dummy wall' to train and practice on achieving the demanding tolerances, coordinated alignments between the cores, short term and long term dose shielding techniques, and contamination control techniques. A core drill template, and additional anchoring techniques were used to maximize accuracy and precision of the REA TS core drills. A 'Go/No-Go' gauge was built and installed at each of the four REA TS locations to verify that the core drill met tolerances. The core drill locations were visually inspected using a boroscope. The REA TS installation was mocked up at the projects 'Mock Up Facility' beginning with basic hazard controls, then with intermediate hazard controls, and finally with full occupational safety, industrial hygiene, and radiological controls. The REA TSs were installed and grouted into place. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li 1.1 V 3 O 8 ) electrode via an operando and in situ energy dispersive X-ray diffraction technique

We present Li 1+n V 3 O 8 (n = 0–0.2) has been extensively investigated as a cathode material for Li ion batteries because of its superior electrochemical properties including high specific energy and good rate capability. In this paper, a synchrotron based energy dispersive X-ray diffraction (EDXRD) technique was employed to profile the phase transitions and the spatial phase distribution of a Li 1.1 V 3 O 8 electrode during electrochemical (de)lithiation in situ and operando. As annealing temperature during the preparation of the Li 1.1 V 3 O 8 material has a strong influence on the morphology and crystallinity, and consequently influences the electrochemical outcomes of the material, Li 1.1 V 3 O 8 materials prepared at two different temperatures, 500 and 300°C (LVO500 and LVO300), were employed in this study. The EDXRD spectra of LVO500 and LVO300 cells pre-discharged at C/18, C/40 and C/150 were recorded in situ, and phase localization and relative intensity of the peaks were compared. For cells discharged at the C/18 rate, although α and β phases were distributed uniformly within the LVO500 electrode, they were localized on two sides of the LVO300 electrode. Discharging rates of C/40 and C/150 led to homogeneous β phase formation in both LVO500 and LVO300 electrodes. Furthermore, the phase distribution as a function of position and (de)lithiation extent was mapped operando as the LVO500 cell was (de)lithiated. In conclusion, the operando data indicate that (1) the lithiation reaction initiated from the side of the electrode facing the Li anode and proceeded towards the side facing the steel can, (2) during discharge the phase transformation from a Li-poor to a Li-rich α phase and the formation of a β phase can proceed simultaneously in the electrode after the first formation of a β phase, and (3) the structural evolution occurring during charging is not the reverse of that during discharge and takes place homogenously throughout the electrode.

25 ENERGY STORAGE↗
DOE OSTI2021

Nanoporous weakly coordinating anionic frameworks (Final Technical Report)

Under this award, we synthesized and characterized new weakly coordinating, anionic covalent organic frameworks. The motivation was to expand the class of covalent organic frameworks though the introduction of the first weakly coordinating anionic ones. The significance of the weakly coordinating anionic character of these frameworks is associated with the character of the counter (metal) cations in their pores. Those counter-cations, due to the inability to effectively coordinate to the pore walls, have a “naked”, and thus highly electrophilic, Lewis acidic character. Such properties are expected to translate to a number of interesting physical properties that can be potentially used for a range of energy-relevant applications. One of these applications is gas adsorption, separation, and storage. The electrophilic, Lewis acidic character of the counter-cations are expected to strongly bind to gas molecules entering the pores leading to higher gas sorption capacities. Other applications include heterogeneous catalysis, ion exchange, and solid state ion conduction. Within the project we explored a range of chemical blocks, and tested synthesis conditions to polymerize these building blocks to form the target materials. In particular, we focused on materials with group 15 elements like phosphorus in the oxidation state +5 and the coordination number 6, that have a formal -1 charge. The synthesis of such materials is challenging because its success depends on the absence of residual monomeric and oligomeric side-products in the pores, and the absence of significant framework interpenetration. Crystalline forms of these materials require sufficient reversibility of the polymerization reaction (which is difficult to achieve because group 15 elements like P tend to make strong covalent bonds with neighbored elements), as well as suitable polymerization rates that prevent the formation of kinetically controlled products. We had success with the preparation of anionic porous organic frameworks with anionic building blocks containing P(V)O6 octahedra synthesized through Yamamoto coupling reactions. These materials are non-crystalline because of the irreversible nature of the Yamamoto coupling reaction, but show porosity. The porosity and surface area can be significantly increased by co-reaction with electrostatically neutral co-reactants. Very high porosity and surface areas can be achieved when the materials are washed with hydrochloric acid. This method is commonly used to free products from Yamamoto coupling reactions from by-products. Indeed, this method removed by products from the pores of our materials, however it also led to the hydrolysis of the PO6 octahedra to form pending phosphonic acid groups (-PO3H)-groups in the frameworks (PA-POFs) which was actually not desired. Nonetheless, these materials showed high CO2 sorption capacities. In addition, they show extremely high (actually record) sorption capacities for the removal of a range of common micropollutants such as bisphenol A (BPA) and 4-nitrophenol in water. BPA is a wide-spread organic pollutant and a known endocrine disruptor. The maximum adsorption capacity of BPA at equilibrium is found to be as high as 3,366 mg g-1 by Langmuir adsorption model, which is more than 10 times greater than peer materials. The polymer also rapidly removes various other organic micropollutants with more than 90% removal efficiencies. In addition, the PA-POF material can be regenerated at least five times by mild washing using methanol without significant loss in removal efficiency. This is significant advantage over commonly used activated carbon materials (that are in Brita water faucet filters, for example). Comparison studies showed that only materials with the phosphonate groups show extreme sorption although the number of PA group is actually small according to solid state NMR and EDX data. More research would be needed to investigate why this is (a possibility is that the phosphonate groups have a multiplying effect in which a PA-induced initial adsorption leads to the adsorption of much more adsorbate). The extreme sorption capabilities can also be visually seen when colored adsorbates such as 4-nitrophenol are used, as the adsorption of the nitrobenzene leads to the decoloration of the solution. We have produced three short videos that illustrate the sorption capabilities compared to two peer materials (activated carbon from dismantled Brita water filters, and a electrostatically neutral, chemically related, porous organic polymer, respectively).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Aging matrix visualizes complexity of battery aging across hundreds of cycling protocols

To reliably deploy lithium-ion batteries, a fundamental understanding of cycling aging behavior is critical. Battery aging consists of complex and highly coupled phenomena, making it challenging to develop a holistic interpretation. In this work, we generate a diverse battery cycling dataset with a broad range of degradation trajectories, consisting of 359 high energy density commercial Li(Ni,Co,Al)O 2 /graphite + SiO x cylindrical 21 700 cells cycled across 207 unique cycling protocols. We consolidate aging via 16 mechanistic state-of-health (SOH) metrics, including cell-level performance metrics, electrode-specific capacities/state-of-charges (SOCs), and aging trajectory metrics. We develop a framework using interpretable machine learning and explainable features to generate an aging matrix that visually deconvolutes the complex battery degradation behavior. This generalizable data-driven mechanistic framework simplifies the complex interplay between cycling conditions, degradation modes, and SOH, acting as a hypothesis-generation tool to aid battery users in identifying key degradation regimes for further study and experimentation.

25 ENERGY STORAGE↗
DOE OSTI2019

Federal Emergency Management Agency Mobile Housing Unit Running Gear Testing (Final Report)

The Federal Emergency Management Agency (FEMA) stages manufactured housing units (MHUs) at key locations to be used during disasters when other housing accommodations cannot be arranged for individuals or families. Due to the unpredictability of natural disasters and the limitations of the manufactured housing industry to produce large numbers of MHUs in very short periods of time, it is necessary for FEMA to store a large number of units for many months or years. With these long storage periods come degradation issues with frames, tires, bearing, and braking systems. These types of issues are also of interest to the U.S. Department of Transportation (DOT) Federal Motor Carrier Safety Administration (FMCSA) because regulated carriers normally transport these units and 49 CFR 393.75 Tires specifies tire loading restrictions for manufactured homes. To compare the running gear (tires, brakes, drums, bearings, axles, springs, and spring mounting hardware) currently specified in the 2014 Rugged Based Performance Requirements (RBPR) and the newly recommended running gear specified in the upcoming revision to the RBPR, the Oak Ridge National Laboratory (ORNL) outlined a Longevity Test Plan, which focused on the assessment of component longevity (failure rates by component type). The Test Plan also studied the forces imparted to the MHU from the running gear from interaction with the roadway for both the running gear in the 2014 RBPR and the running gear specified in the upcoming RBPR revision. Since the assessment of component longevity and failures are also issues of concern for FMCSA, both agencies collaborated to support the research presented in this report. The tests and data collection were conducted at the Navistar Proving Grounds (NPG) in New Carlisle (near South Bend), Indiana, during the May-November 2018 period. Four alternatives for the suspension system of a typical three-bedroom MHU were considered in this test. Alternative 0 was the MHU that was selected from the FEMA staging area in Selma, Alabama. Empirical data had shown that, on average, this alternative experiences one tire failure every 150 miles (or 0.0067 tire failures per mile traveled). Before testing, Alternative 0 was equipped with similar running gear hardware, although in new condition and installed following the manufacturer’s specifications. This became the Baseline Unit, or Alternative 1. Another unit, also selected from the FEMA staging area in Selma, Alabama, was equipped with better axles (i.e., axles that were rated for 7,000lbs as opposed to 6,000lbs for the Baseline Unit) and better tires. This became the Upgrade Unit, or Alternative 2. At the end of the Longevity Test, the Upgrade Unit was mounted with radial tires. This became Alternative 3.Alternative 1 (Baseline Unit) had, on average, one tire failure every 251 miles (or 0.0040 tire failures per mile traveled). So, by simply following the correct manufacturer’s specifications for the assembly of the transportation system, a reduction of 41% in the per mile tire failure was achieved. In the same test, Alternative 2 (Upgrade Unit) showed, on average, one tire failure every 728 miles traveled (or 0.0014 tire failure s per mile traveled). When the Upgrade Unit was mounted with radial tires in the last part of the test, no tire failures were observed for the 2,400 miles tested. That is, in the case of the radial tires (Alternative 3) the tire failure was less than one per 2,400 miles traveled (or less than 0.0004 tire failures per mile traveled). The data collected for the Longevity Test showed that the maximum accelerations were registered in all cases at the center of the MHU in the vertical direction. The overall maximum was registered by the Baseline Unit, Alternative 1. If that value is normalized to 100%, then the Upgrade Unit (Alternative 2) showed, on average, 81% at the same location, and Alternative 3 (radial-tire test) 59%. That is, the upgraded transportation system showed a reduction of 19% and 41% in the vertical accelerations transmitted to MHU at its center when regular and radial tires, respectively, were used. As part of the Test Protocol, NPG conducted a visual inspection of the MHUs and transportation system at the end of each test day. ORNL reviewed all the inspection reports in an attempt to determine if there was any difference in the damage that the Baseline and Upgrade MHUs showed during the test. The Upgrade Unit always showed lower accelerations transmitted to the MHU than the Baseline Unit. In most cases, these differences were statistically significant. The FEMA inspection report, conducted by a FEMA certified inspector at the end of the tests, included a shorter list of damaged items for the Baseline Unit than for the Upgrade Unit, although similar type of damages was described for both units. This may be an indication that, although lower than those of the Baseline Unit, the accelerations transmitted by the Upgrade Unit were above the threshold at which MHU elements start to fail.

42 ENGINEERING↗
DOE OSTI2025

Neutron-Friendly Li-Ion Battery Coin Cell for In Situ 3D Visualization of Li Plating

Advanced battery characterization using in situ/operando neutron imaging is critical for uncovering degradation modes such as lithium (Li) plating in Li-ion batteries (LIBs). However, conventional LIBs hinder operando neutron radiography (NR) and in situ neutron micro-computed tomography (N-μCT) for visualizing Li plating near the graphite-separator interface due to strong attenuation from hydrogen-rich components like PP–PE–PP separators, electrolyte, and Fe-based spacers. In this work, we designed and tested a neutron-friendly battery (NFB) optimized for in situ Li detection during extreme fast charging (XFC). Guided by neutron attenuation cross-sections and material transmission, the NFB enables clear visualization at the graphite–separator interface, which is typically opaque in standard LIBs. Electrochemical tests show the NFB exhibits voltage/current responses like standard cells for up to 50 XFC cycles. However, its lower reversibility and capacity are likely due to Cu-coated Al spacer degradation from delamination or corrosion. We propose titanium spacers as a more stable alternative, albeit requiring custom machining. Using this optimized cell, we achieved simultaneous neutron tomography of multiple cells, capturing in situ 3D images of dead Li accumulation, particularly near graphite edges. These heterogeneous deposits and disconnected Li clusters suggest localized current density hotspots during XFC.

25 ENERGY STORAGE↗
DOE OSTI2018

A Prototype Dual Robot System to Perform Ultrasonic and Visual Inspection for the Bottom of Double-Shell Tanks - 18624

Up to this point, ultrasonic inspection-based condition data has only been available for double-shell tank (DST) sidewalls because direct inspection access to the primary tank bottom is limited to vent duct channels in an insulating refractory pad that the primary tank rests on. Probe access through the air slot would provide the opportunity to get information about the condition of the bottom of the primary tank, but it is a challenge to deploy a crawling robot that is capable of performing nondestructive ultrasonic and visual inspection through confined air slots. As such, a conceptual prototype of a deployable inspection robot system to enable ultrasonic and visual inspection for DST base through ventilation ducts was designed and fabricated. This prototype dual robot system consisting of the AnnulusBot and the MouseBot can be integrated with nondestructive evaluation (NDE) sensors to inspect and examine the physical properties of the underside of DSTs to enable status assessment. The AnnulusBot was designed to carry the MouseBot and to be deployed to the annulus space through a riser. To deploy the MouseBot to every ventilation channel in the annulus, the arm consisting of a boom and a forearm was used to place the MouseBot on the underside of the tank. The AnnulusBot used segmented wheels enable to traverse pipes and other potential obstacles. The cable management system utilized motorized wheels to feed the cable into the ventilation channel. This would reduce the amount of work that the MouseBot would have to do during inspection. This feeding mechanism would also be used to retrieve the MouseBot at the end of its inspection. Additionally, if the MouseBot fails, this mechanism would be used for retrieval. Once deployed, the MouseBot navigates to the center of the tank via the air ventilation channel beneath the inner shell (the primary tank) while inspecting the space. The MouseBot is then retrieved from the channel by a combination of its own drive power and the AnnulusBot retracting the attached umbilical cord. Compare with the AnnulusBot, the physical dimensional limitations of the MouseBot were a greater challenge. As the surface state of the concrete of the air channels could have variable texture, and may contain debris, it was decided not to travel along this surface. The ceiling of these channels is carbon steel and can be utilized throughout the channel. To use this travel surface, magnetic wheels were employed. A foreseeable problem with the use of magnets on this surface, is that they would preclude the use of eddy currents sensors. However, other technologies like ultrasonic technology sensors should be unaffected. Laboratory scale test was performed on a mock-up single wedge of the refractory pad to evaluate maneuverability of the MouseBot. The electronic components for the prototype would work in the ranges of 150-185 deg. F (65.6-85 deg. C). Both the AnnulusBot and MouseBot will be subject to constant radiation. All major printed circuit board (PCB) microcontroller components were designed to be situated outside of the annulus space and inside the main control panel to avoid radiation-induced failure. As future work, electronic components including the Arduinos that used Atmel commercial microcontrollers will be replaced with the high temperature rated Atmel microcontrollers so that the robots can be operated reliably at ambient temperatures up to 200 deg. F (93.3 deg. C). In addition, the robots will be service life tested to evaluate performance at elevated temperature and under gamma irradiation. (authors)

42 ENGINEERING↗