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DOE OSTI2026

Unraveling interphase-driven failure pathways in LiMn0.6Fe0.4PO4/graphite pouch cells

LiMnxFe1−xPO4 (LMFP) is a promising high-voltage, thermally stable, and earth-abundant cathode material, yet its practical application is limited by interphase instability and Mn dissolution. In this work, we systematically evaluate LiMn0.6Fe0.4PO4/graphite pouch cells using three electrolyte formulations including control carbonate electrolyte, control + 2 wt% vinylene carbonate (VC), and control + 2 wt% VC + 1 wt% 1,3,2-dioxathiolane 2,2-dioxide (DTD), to establish how electrolyte composition governs interphase chemistry and long-term degradation. Electrochemical testing shows that both additives are preferentially reduced prior to ethylene carbonate (EC) during cell formation, generating robust cathode-electrolyte interphase (CEI) and solid-electrolyte interphase (SEI) layers that suppress gas evolution and raise the first-cycle coulombic efficiency to 89.3%. Additionally, the dual-additive electrolyte delivers the most stable performance, retaining over 85% capacity after 600 cycles while minimizing impedance growth under long-term cycling at C/3 and 40 °C. Soft X-ray absorption spectroscopy confirms that VC + DTD effectively suppresses electrolyte oxidation at the cathode surface, and micro-X-ray fluorescence shows substantially reduced Mn dissolution and deposition on the graphite anode. Density functional theory simulations further provided insights into the structural and energetic influences of alkoxide species on the cathode surface, proposing a Mn2+ extraction mechanism. The combined experimental and computational findings establish a mechanistic link between electrolyte composition and interphase evolution, highlighting the effectiveness of electrolyte engineering for extending the operational lifetime of LMFP-based lithium-ion batteries.

Chak, Chanmonirath Michael↗

DOE OSTI2025

A comparison of ceramic and carbon-based reductants for vitrification of low-activity waste

Sucrose is the current baseline additive at the Hanford Waste Treatment and Immobilization Plant in Washington, USA to control foaming during waste feed to glass transitions and the redox state of the glass melt. Alternative reductants are being investigated to alleviate strain on effluent treatment from toxic acetonitrile production from incomplete combustion of sucrose. This study evaluates ceramic additive options including B4C, B6Si, SiC and VB2 in simulated low-activity waste feed, as well as coke dust, probing the feed volume expansion during melting as well as the gas evolution. All alternative reductant options examined significantly reduced acetonitrile production, however there was variability in their effectiveness as foam-reducing agents. VB2 and coke at the appropriate ratios were similarly effective as sucrose in controlling both foam volume and glass redox state, but with considerably less acetonitrile production. B4C, B6Si and SiC showed more promising foam control and very little acetonitrile production, however all of the final glasses were over reduced, i.e., Fe2+/FeT = 0.5. These alternative reductant studies provide operational flexibility to the operation of the vitrification plant, as well as options for alternative raw materials in industrial glass melting.

Rigby, Jessica C. (ORCID:0000000235719977)↗

DOE OSTI2024

Communication — The Impact of Co-solvent Selection for Dimethyl-2,5-dioxahexane carboxylate in Sodium Ion Batteries

Traditional linear carbonates including dimethyl carbonate (DMC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC) were investigated as co-solvents for the dimethyl-2,5-dioxahexane carboxylate (DMOHC)-based electrolyte in Na 0.97 Ca 0.03 [Mn 0.39 Fe 0.31 Ni 0.22 Zn 0.08 ]O 2 (NCMFNZO)/hard carbon (HC) pouch cells. The EMC-containing cell displays excellent electrochemical performance, exhibiting only a 1.6 mAh irreversible capacity loss during 500 h of storage at 4 V and 40 °C, and maintaining over 80% capacity retention after 200 cycles up to 4 V at 40 °C. Severe gas evolution and Na plating issues are present in all the tested systems.

25 ENERGY STORAGE↗

DOE OSTI2026

Multiscale Cryo Electron Microscopy Reveals Interfacial Degradation and Stabilization in Battery Electrodes

Electrochemical interfaces are dynamic systems, evolving based on their local environment and reactant surface structures. The electrode-electrolyte interface in Li-ion batteries can be protective, limiting parasitic reactions with the electrolyte to passivate the surface [1]. Additionally, this interphase has an impact on the Li-ion transport through that layer based on its composition, bonding environment, and thickness. These parameters are challenging to collect and may vary depending on the electrode surface site investigated relative to its spatial position in a coin cell. This study will detail a multiscale cryogenic electron microscopy approach where millimeter-scale cross-sections through the coin cell batteries were made using a cryogenic stage within a fs-laser plasma focused ion beam (laser PFIB) with complementary energy dispersive X-ray spectroscopy able to detect variations in the composition at electrode interfaces [2]. Microscale cross-sectioning and lamella sample preparation of battery electrodes was conducted at the Center for Integrated Nanotechnologies using a Ga-ion focused ion beam (FIB) with air-free and cryo-transfer [3], followed by nanoscale mapping of composition and bonding within the CEI through cryo-scanning transmission electron microscopy (cryo-STEM) electron energy loss spectroscopy [4]. This multiscale approach enabled identification of millimeter-scale features of a battery stack with visualization of degradation in electrodes such as cracks in cathode particles, gas evolution, and SEI evolution; microscale interfacial characteristics, such as heterogeneity in the SEI or barrier layer and identification of electrolyte networks to the electrode surfaces; and nanoscale measurement of the CEI thickness, mapping of transition metal bonding within the cathode particles to identify loss of active materials, and identification of beneficial electrolyte additives incorporated into the CEI structure. This multiscale approach allows for a statistical understanding of the primary mechanisms and parasitic degradation pathways that impact performance by limiting the ion transport pathways within Li+ batteries.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Radiation-induced transients on solid and molten Li and K iodides

The study, quantification, and monitoring of iodine in nuclear power generation systems have been paramount due to its environmental and health implications. Thorough speciation and transport studies strengthened the development and deployment of water reactors, which are now required for the new generation of Molten Salt Reactors (MSR), where the fuel and coolant are a complex liquid system of suitable halides. The speciation, radiation-induced chemistry, and transport of iodine (I-127, I-129 and I-131) under extreme conditions of temperature and ionizing radiation are among the challenges for the future implementation of MSR’s. In aqueous systems, the triiodide-iodine-iodide (I3--I2-I-) equilibrium is strongly dependent on the conditions of the medium. In molten iodides and chlorides, the triiodide detection (and its disproportionation) poses challenges due to the extreme conditions of temperature and radiation, but studies have shown a dependence on temperature, absorbed dose and salt composition. Through absorption spectroscopy techniques (diffuse reflectance and high-temperature UV-Vis), as well as resonance (Electron Paramagnetic Resonance) it is possible to identify primary transients induced by ionizing radiation trapped in the solid phase (Solid-state radiolysis), and steady-state main absorption components with a fast-acquisition real-time spectroscopy. The presence of heterogeneous phase (colloids), viscosity changes, and gas evolution are among the observed processes. A specific case of study is speciation in the presence of Ni. A corrosion product with magnetic properties due to unpaired electrons in its electronic structure. Ferromagnetic materials are monitored in solidified salts to identify aggregation and phase separation. Comparative studies of eutectic mixtures of LiI-KI and LiCl-KCl with known addition of dopants will be presented, with a perspective of radiation chemistry and its possible implications in complex systems.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Implications of point defect accumulation on UO 2 thermal conductivity and fission gas release under accelerated fuel irradiation

Evaluation of thermal properties is a crucial factor for nuclear fuel performance. During reactor operation, the accumulation of fission products and irradiation-induced lattice defects are responsible for degradation in thermal conductivity. Consequently, it affects fuel temperature and fission gas release (FGR) among other Multiphysics processes important for economics and safety analysis. We analyze the implications of point defects (PD) accumulation described using a rate theory (RT) Model on lattice thermal conductivity of UO 2 . Here, we demonstrate that fission rate-dependent point defect concentrations have the largest impact on in-pile thermal conductivity in the periphery of light water reactor fuels below a temperature threshold governed by the migration barrier of defects. Our analysis provides a mechanistic description of this phenomena which current fuel performance codes treat empirically. The reduction of thermal conductivity in the low -temperature rim region acts as additional thermal resistance and leads to a temperature notably larger than suggested by Lucuta thermal conductivity correlation. These effects are anticipated to have notable impacts when fuels are exposed to accelerated radiation. The impact of such point defect-informed treatment of thermal conductivity on fuel performance is evaluated by a detailed analysis of fission gas behavior and its release. We consider several models capturing different stages of fission gas bubble evolution and fission gas release (FGR). Finally, a new fission rate-dependent correction to the Lucuta correlation is proposed. The results show a significant reduction in thermal conductivity at the fuels’ periphery and an increase in fuel centerline temperature specifically at low burnups. Ultimately a modified LC shows a higher FGR compared to the original LC, while the acceleration process results in a reduction in overall FGR.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Irradiation-induced gas production in REBCO-based magnet materials used for future compact fusion reactors

Nuclear fusion is an enticing alternative to current sources of energy, with multilayered Rare-Earth Barium Copper Oxide (REBCO) coated conductors deemed pivotal in the race toward fully realized, commercially viable, and magnetic confinement fusion reactors. In this study, we simulated the ion spectrum expected to evolve from REBCO's nickel-based Hastelloy C-276 substrate and copper stabilizer in an affordable robust compact-like reactor. We then emulated this gas production through helium implantation to investigate changes in materials and superconducting properties. Our results revealed that the substrate and stabilizer are capable of producing protons energetic enough to recoil throughout the tape thickness in appreciable doses, and alphas energetic enough to deposit 7.54 × 1014 ions/cm2 or 50.1 helium appm in the superconducting layer over a 30-year reactor lifetime. The superconducting layer of SuperPower® tapes exhibited at least double the swelling rate of the other major layers, and both SuperPower and Fujikura Ltd. tapes displayed microstructural changes in the REBCO layer not observed in isotropic metals. For the estimated lifetime fluence, the Fujikura tapes showed a ∼1 K reduction in critical temperature and a 32% degradation in critical current for compact reactor-relevant conditions (16 T, 20 K). Nuclear transmutation, low-temperature solder implantations, gas-ion evolution, the influence of gas production on vortex dynamics, and other related considerations are also discussed.

Reis, Chris↗

DOE OSTI2025

Tracing the Evolution of the Cool Gas in CGM and IGM Environments through Mg II Absorption from Redshift z = 0.75 to z = 1.65 Using DESI-Y1 Data

We present a measurement of the mean absorption of cool gas traced by Mg II (λλ2796, 2803) around emission line galaxies (ELGs), spanning spatial scales from 20 kpc to 10 Mpc. The measurement is based on crossmatching the positions ELGs at z = 0.75–1.65 and the metal absorption in the spectra of background quasars with data provided by the Year 1 sample of the Dark Energy Spectroscopic Instrument. The ELGs are divided into two redshift intervals: 0.75 < z < 1.0 and 1.0 < z < 1.65. We find that the composite quasar spectra constructed by stacking the ELG-QSO pairs evolve with redshift, with z > 1 having a systematically higher signal of Mg II absorption. Within 1 Mpc, the covering fraction of the cool gas at z > 1 is higher than that of z < 1. The enhancement becomes less apparent especially if the projected distance r p > 1 Mpc. ELGs with higher stellar mass and star formation rate (SFR) yield higher clustering of Mg ii absorbers at z < 1. For z > 1, the covering fractions with different SFRs show little difference. The higher Mg II absorption at higher redshift supports the observations of higher star formation at cosmic noon. Converting the Mg II absorbers to unsaturated Si II , our estimate indicates that the metal abundance of Si II ranges from 0.7 to 1.2 × 10 −6 from z = 0.9 to 1.3. The growth of low-ionization metal abundance strongly suggests a metal-enriched circumgalactic medium and an increased presence of cool gas in the intergalactic medium toward higher redshifts.

circumgalactic medium↗

DOE OSTI2024

Temporal and spatial characterization of a thermogenic, fault-controlled gas hydrate system, Woolsey Mound, Gulf of Mexico

Woolsey Mound, located at Mississippi Canyon Lease Block 118 (MC118), is the site of the Gulf of Mexico hydrate research consortium’s seafloor observatory, where gas hydrates outcrop at the seafloor. The presence of gas hydrates in the mound is confirmed directly by coring and indirectly by 3D seismic reflection data. Craters, pockmarks, chemosynthetic communities, and authigenic carbonates populate the seafloor at Woolsey Mound. Each crater is characterized by a network of shallow crestal faults that connect the hydrate mound to the underlying allochthonous salt body. We characterize the temporal and spatial evolution of gas hydrates at Woolsey Mound under natural perturbations using four collocated 3D seismic reflection data sets that span over 14 years. Data acquisition differences embedded in the data sets arising from variation in geometry, sample rate, and phase are minimized using the “cross-equalization” method. Our results indicate that hydrate formation and dissociation vary temporally and spatially in close connection to the shallow crestal faults. Evidence of gas hydrate dissociation is observed over a period of three years (2000–2003), where major dissociation occurred along the southern portion of the crestal fault in the southeast crater. The dissociation is less prominent in the southwest crater. Evidence of methane venting is observed between 2000 and 2010, which is mostly concentrated in the southeast crater. The residual amplitude anomalies observed between 2000 and 2014 in the mound are mostly positive, implying that the methane venting had increased significantly. The positive anomalies are correlated with the methane seepage recorded in 2011. Our results indicate the evolution of a fault-controlled gas hydrate system in the northern Gulf of Mexico, which would aid in assessing its impact on the seafloor.

Geochemistry & Geophysics↗

DOE OSTI2024

TChem-atm v1.0

SAND2024-11300O TChem-atm is a software library that was developed to solve complex kinetic models for atmospheric chemistry applications. TChem-atm interface employs a hierarchical parallelism design to exploit the massive parallelism available from modern computing platforms. It also supports gas atmospheric chemistry applications, e.g., the energy exascale earth system model. TChem can be used as a box model or coupled with a climate model to compute the time evolution of gas tracer species. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Safta, Cosmin↗

DOE OSTI2026

Cluster Dynamics Simulations of Intra-Granular Fission Gas Bubble Size and Pressure Evolution in UO 2

Fission gases such as xenon (Xe) play a critical role in determining the behavior and response of nuclear fuel. Given that Xe has little solubility in UO 2 , it accumulates and forms bubbles, which significantly impact fuel performance. Intra- and inter-granular bubble nucleation and growth can lead to fuel swelling, and once bubbles interconnect at grain boundaries, fission gas can be released into the plenum. At low temperatures, limited uranium vacancy mobility can restrict swelling, therefore causing the bubbles to become highly pressurized. Consequently, this can induce micro-cracking, promote fission gas release (increasing the likelihood of cladding failure), and even lead to fuel pulverization under accident conditions such as a loss of coolant accident. As bubble evolution is strongly influenced by local temperature and fission rate, markedly different behavior occurs across the radial profile of the fuel pellet. Capturing the mechanisms that underpin bubble evolution is therefore important to predict these behaviors in the fuel. Previous models describing important mechanisms informed by lower length scale simulations have been developed under the NEAMS program. These can describe the evolution of a single bubble type (i.e., single value for radius and pressure) at each position in the pellet, for instance using the Centipede cluster dynamic code. However, in reality, a full distribution in bubble sizes and pressures exists within the microstructure at a given position in the pellet. To address this the cluster dynamics code Xolotl, which can predict Xe and vacancy phase space (i.e., bubble distributions) for intra-granular bubbles, has been used before. Prior work benchmarked the Xolotl code against the Centipede cluster dynamics code to ensure compatibility and to verify that mobile defect properties are adequately transferred between the two codes, along with some physics improvements. In this work, we go further by introducing a physics-based set of improvements that will allow us to accurately predict bubble size distributions and internal bubble pressures under representative UO 2 irradiation conditions. The improvements include (i) coupling bubble-defect reaction energies to a virial equation of state (EOS), (ii) including a bubble surface tension contribution, (iii) incorporating radiation-induced re-solution of Xe and vacancies, (iv) enabling pressure-driven dislocation loop punching through an effective emission of interstitial clusters informed by interstitial loop energetics, (v) accounting for radiation induced athermal diffusion of Xe, and (vi) implementing a Booth-type grain boundary sink representation for all mobile defects and defect clusters. After these modifications, we observe good agreement of Xolotl fission gas bubble size and concentration predictions with legacy experimental measurements. Additionally, it allows the distribution of Xe bubble pressures and radius to also be predicted and compared to data produced through the Advanced Fuels Campaign (AFC) program. Here, we have done this by running simulations under conditions similar to the AFC post-irradiation examination (PIE) samples irradiated at North Anna 2 light water reactor (LWR). Our results shows excellent agreement with these experimental measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

TOI-2374 b and TOI-3071 b: two metal-rich sub-Saturns well within the Neptunian desert

ABSTRACT We report the discovery of two transiting planets detected by the Transiting Exoplanet Survey Satellite (TESS), TOI-2374 b and TOI-3071 b, orbiting a K5V and an F8V star, respectively, with periods of 4.31 and 1.27 d, respectively. We confirm and characterize these two planets with a variety of ground-based and follow-up observations, including photometry, precise radial velocity monitoring and high-resolution imaging. The planetary and orbital parameters were derived from a joint analysis of the radial velocities and photometric data. We found that the two planets have masses of (57 ± 4) M⊕ or (0.18 ± 0.01) MJ, and (68 ± 4) M⊕ or (0.21 ± 0.01) MJ, respectively, and they have radii of (6.8 ± 0.3) R⊕ or (0.61 ± 0.03) RJ and (7.2 ± 0.5) R⊕ or (0.64 ± 0.05) RJ, respectively. These parameters correspond to sub-Saturns within the Neptunian desert, both planets being hot and highly irradiated, with Teq ≈ 745 K and Teq ≈ 1812 K, respectively, assuming a Bond albedo of 0.5. TOI-3071 b has the hottest equilibrium temperature of all known planets with masses between 10 and 300 M⊕ and radii less than 1.5 RJ. By applying gas giant evolution models we found that both planets, especially TOI-3071 b, are very metal-rich. This challenges standard formation models which generally predict lower heavy-element masses for planets with similar characteristics. We studied the evolution of the planets’ atmospheres under photoevaporation and concluded that both are stable against evaporation due to their large masses and likely high metallicities in their gaseous envelopes.

Hacker, Alejandro (ORCID:0009000994520181)↗

DOE OSTI2025

The impact of varying inhomogeneous reionization histories on metrics of Ly α opacity

The epoch of hydrogen reionization is complete by z = 5⁠, but its progression at higher redshifts is uncertain. Measurements of Ly α forest opacity show large scatter at z < 6⁠, suggestive of spatial fluctuations in neutral fraction, temperature, or ionizing background, either individually or in combination. However, there are degeneracies in the impact of such fluctuations, necessitating careful modelling. We develop a framework for modelling the reionization history and associated temperature fluctuations, with the intention of incorporating ionizing background fluctuations at a later time. We generate several reionization histories using seminumerical code AMBER, and implement them in the Nyx cosmological hydrodynamics code to examine the impact on the evolution of gas within the simulation and the associated metrics of the Ly α forest opacity. We find that the pressure smoothing scale within the intergalactic medium is strongly correlated with the adiabatic index of the temperature–density relation. We find that while models with 20 000 K photoheating at reionization are better able to reproduce the shape of the observed z = 5 1D flux power spectrum than colder ones, they fail to match the highest wavenumbers. The simulated autocorrelation function and optical depth distributions are systematically low and narrow, respectively, compared to the observed values, but are in better agreement when the reionization history is longer in duration, more symmetric in its distribution of reionization redshifts, or if there are remaining neutral regions at z < 6.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

In-situ ion irradiation of fission products in a spent UO 2 fuel

This study investigates the behavior of fission gas bubbles and five metal precipitates (5MPs) (Mo, Ru, Rh, Tc, Pd) in spent uranium dioxide (UO 2 ) fuel under various ion irradiation doses, temperatures, and flux conditions. Utilizing in-situ ion irradiation and advanced transmission electron microscopy, we analyzed the evolution of fission gas bubbles and 5MPs in UO 2 samples from the Belgium Reactor 3 (BR-3). Our findings reveal significant shrinkage of fission gas bubbles and 5MPs with increasing irradiation dose, accompanied by a decrease in pair density. We demonstrate that ion irradiation induces a homogeneous re-solution process where individual atoms are ejected from bubbles and precipitates, leading to their dissolution and subsequent re-precipitation in the matrix. In conclusion, this study provides critical insights into the dynamic behavior of fission products under irradiation, facilitating the development of predictive models and contributing to the optimization of nuclear fuel performance and safety.

Fission products↗

DOE OSTI2024

Modeling Approach for the Aluminum-clad Dry Storage Pilot using HFIR Fuel

To confirm that the dry storage of aluminum-clad research reactor spent nuclear fuel (ASNF) will remain within the safety envelope after applied drying schemes and that the resulting evolution of the gas space composition, temperature, and pressure conditions are understood, a dry storage pilot project is being established. The pilot will incorporate an instrumented lid for discrete interval or for on-demand gas composition and temperature monitoring of two DOE Standard Canisters (DSCs) loaded with three High Flux Isotope Reactor (HFIR) inner cores per DSC. Each DSC would be subjected to a separate alternative candidate drying scheme. Canisters will undergo 1 to 5 years of monitoring, including internal temperature and gas sampling to track pressure and composition changes. This report outlines the approach for modeling the ASNF-in-canister behavior in terms of evolving gas space conditions for the ASNF dry storage pilot using HFIR fuel. The ASNF has an adherent surface oxyhydroxide layer comprised of boehmite/bayerite that generates hydrogen when subjected to irradiation. Three-dimensional multi-physics computational fluid dynamics simulations will be executed to compute the thermal field within the DSC and provide inputs to a chemical model employed to compute pressure buildup as hydrogen is generated in the system. Implemented in Cantera, the chemical model solves gas phase and aluminum oxyhydroxide surface-mediated radiolysis reactions. Gas phase reactions are sourced from Wittman and Hanson (2015), whereas surface-mediated reactions are incorporated by fitting experimental data using an optimization algorithm (Abboud, 2023). Water radiolysis reactions from Wren and Ball (2001) are adopted with modifications as described in Abboud (2023c). Understanding the effect of the hydrogen buildup over time is important for long-term storage safety considerations. Modeling results will include the canister pressure, temperature, and composition evolution from the initial helium backfill with the addition of radiolytically-evolved chemical species (e.g., hydrogen and oxygen). The specific HFIR cores for the pilot program have not yet been selected, and the overall design is still in development. The CFD-chemical model used for this work will be based on prior models with necessary updates to allow for improved accuracy and efficiency. The experimental data obtained from the HFIR demonstration will be used to improve and validate the computational models to predict the ASNF-in-canister behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Comparative post-irradiation examination of high burnup U-19Pu-10Zr: Assessing steady-state irradiation behavior against historical and modeled fuel performance

Here, the development of next-generation sodium-cooled fast reactors necessitates comprehensive research on metallic fuels to maximize economic performance while ensuring safe operation. In this study, we investigated the steady-state irradiation behavior of two high burnup U-19Pu-10Zr fuel pins, DP-36 and DP-40, in preparation for planned safety testing. Post-irradiation examination (PIE) was performed to quantify fuel column elongation, regions of low-density at the top of the fuel column, pin deformation, fission product distribution, fractional fission gas release, microstructural evolution, and fuel constituent redistribution. Benchmarking against existing PIE data from U-19Pu-10Zr fuel pins irradiated in EBR-II revealed consistent patterns in fuel column elongation and cladding diametral strain. However, both pins exhibited longer low-density structures, and destructive examination of DP-36 revealed more complex constituent redistribution patterns compared to previously reported data for ternary fuel pins. The steady-state irradiation of both pins was also modeled using BISON. Comparisons of PIE results with modeled predictions showed overall agreement in fractional fission gas release but consistent overestimation of axial and radial swelling due to gaseous and solid swelling models. These findings underscore the critical importance of pre-test characterization on test and sibling pins to accurately capture steady-state fuel behavior ahead of transient testing, thus establishing a baseline for post-test comparison. Additionally, these analyses identified key data gaps that warrant further investigation to improve the understanding and prediction of fuel swelling, thereby enhancing the synergy between modeling and experimental efforts in supporting accident testing.

BISON↗

DOE OSTI2025

Understanding the Cathode Electrochemistry of Humidified Solid‐State Lithium‐Oxygen Batteries

Lithium-oxygen batteries (LOBs) possess a high theoretical energy density, making them potential candidates for next-generation energy storage. However, challenges such as reactive oxygen species-induced component degradation hinder their practical use. Inorganic solid-state electrolytes offer an alternative to degradation-prone aprotic electrolytes, while also protecting lithium anodes from potential atmospheric reactants. Here, this study explores the cathode electrochemistry of solid-state LOBs using humidified oxygen, which forms an aqueous catholyte during initial cycling, thereby improving cathode-electrolyte contact. To quantitatively analyze the cathode electrochemistry, a ‘Humidity-Incorporated’ Differential Electrochemical Gas Monitoring System (HiDEMS) is developed to control humidity and monitor gas consumption and evolution in real time. When studying a Li-O 2 cell that employs a NASICON-type Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 (LATP) solid electrolyte and a porous carbon cathode, a shift in discharge products from Li 2 O 2 to LiOH is observed over repeated cycles. While Li 2 O 2 evolves O 2 during charging, LiOH oxidation leads to minimal O 2 release and increased CO 2 production, originating from oxidation of carbon electrodes. Further, dissolution of Al and P from LATP is observed, likely driven by the formation of the alkaline catholyte. The findings highlight the need for carbon-free cathode materials and more stable solid-state conductors to minimize side reactions and improve rechargeability in humidified solid-state Li-O 2 batteries.

LATP degradation↗

DOE OSTI2025

Role of Mg:Al ratio and Pt promotion on mitigating the deactivation of Ni-based methane steam reforming catalysts

Ni-based catalysts for CH 4 steam reforming require fine-tuning to withstand deactivation under dynamic operation conditions relevant to emerging H 2 -driven technologies. This study investigates the impact of the Mg:Al ratio and Pt presence in catalyst composition on the activity and stability of industrially relevant Ni-based mono- and bimetallic catalysts during simulated daily start-up and shut-down cycles in various gas atmospheres. The evolution of the catalyst structure during extensive testing procedures was investigated in detail by complementary electron microscopy, in situ/operando XAS and XRD. The results obtained revealed that catalyst deactivation is promoted at high Mg:Al ratios and especially affects the monometallic catalysts. By converting CH 4 at lower temperatures, Pt regulates the extent of Ni oxidation and its incorporation into MgO lattice. Further prevention of catalyst deactivation was achieved by optimizing the reactor shut-down procedure to minimize the simultaneous exposure to high temperatures and H 2 O vapors. By flushing the reactor with N 2 only around the reaction extinction temperature, a fraction of Ni species is maintained in metallic state, which is beneficial for the long-term activity and reaction operation economy.

54 ENVIRONMENTAL SCIENCES↗