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Battery Evaluation Profiles for X-57 and Future Urban Electric Aircraft

Battery energy density is one of the most critical design parameters for sizing all-electric aircraft, however it’s easily overestimated. Establishing the effective, usable energy density is confused by varying degrees of margin needed to account for structural and thermal management between different cell chemistry and pack designs. Therefore, a better methodology is needed to fairly compare emerging battery technologies for electric aircraft. Currently, there is a loss of critical information when vehicle trade studies are performed using “nominal” published cell-level performance metrics. Aircraft power demands rarely match these nominal power profiles, and aircraft designers lack the ability to accurately simulate the battery performance and temperature off-nominally unless the battery chemistry is well established. Conversely, battery suppliers have no generalized reference cases to publish more realistic performance metrics. This can lead to poor assumptions, such as aircraft studies assuming a fixed discharge efficiency of a battery, when in reality the usable energy in a pack is dependent on the power and thermal profile. Information needed to properly assess weight penalties for thermal management is also typically poorly characterized when assessing candidate batteries. This paper serves to better inform battery development, and similarly, provide aircraft designers with more realistic assumptions for applying knockdown margins in their designs. Detailed power and thermal performance estimates are provided, which provide a starting point for sizing power and thermal budgets using experimentally derived battery models. Results show that the X-57 battery-to-shaft efficiency is 77.3% for a particular optimized mission. Considering a 25% reserve on the battery capacity, this means that only roughly half of the original 55.3kWh ‘nominal’ pack energy can be converted to useful work during a mission. Further estimates on a clean-sheet VTOL optimization show an average 82.7% battery-to-shaft efficiency, using 98% peak efficiency inverters and 97.4% peak efficiency motors. Although higher battery efficiencies are possible, the resulting weight penalty negates improvement in vehicle performance. These trade-offs and resulting power profiles are provided as a starting point to better assess future battery designs.

Battery↗

DOE OSTI2026

Novel PtNi single-atom–nanocluster (SA–NC) ensembles promote Tafel kinetics and ampere-class AEM hydrogen evolution

The development of efficient, durable, and low-PGM electrocatalysts for the hydrogen evolution reaction (HER) in alkaline media is critical for next-generation electrolysis technologies. We report a facile two-step synthesis of highly dispersed PtNi and PtNi-nitride nanoclusters (NCs) (~2.3 nm) with ultralow Pt content (0.5 at.%) anchored on N-doped Vulcan carbon. Structural and compositional characterization via XAS, XPS, HAADF-STEM, HRTEM, and EDS mapping established key structure–activity relationships across varying Pt/Ni ratios and pyrolysis temperatures. The Pt0.5Ni0.5/C-750 catalyst, an ensemble of PtNi M-N-C type single-atom (SA) moieties with neighboring PtNi nanoclusters (NC), exhibited superior HER performance in alkaline media, achieving overpotentials of 30, 115, and 210 mV at 10, 100, and 500 mA cm−2, respectively. Despite at a lower Pt content, this novel SA–NC ensemble outperformed commercial Pt/C by ~36%. A standardized literature comparison with contemporary Pt- and Ru-doped analogues reveals the as-prepared Pt0.5Ni0.5/C-750 to sit at the apex of Tafel-limited kinetics and low overpotential at 100 mA cm−2. Tafel-limited Tafel slopes in both alkaline and acidic regimes confirm favorable proton recombination kinetics. Mass activities at 200 mV reached 13.8 and 18.84 A mgPt−1 in alkaline and acidic media, respectively. However, excessive nitridation (e.g., at 650 °C) adversely altered Pt electronic structure and HER kinetics. While Ni enhanced alkaline HER, acidic HER favored Ni-free analogues. Pt0.5Ni0.5/C-750 also demonstrated robust temperature responsiveness and 300-h operational stability at high current densities (0.5–1.0 A cm−2) in MEA tests. This work presents a scalable strategy for designing thermally responsive, durable, and compositionally tunable NC catalysts with neighboring SA moieties for alkaline electrolysis.

AEMWE↗

DOE OSTI2026

Structure of Self-Generated Magnetic Fields in Laser-Solid Interaction from Proton Tomography

Self-generated magnetic fields in laser-solid interactions are experimentally characterized to reveal the 3D location and local field strength, rather than path-integrated quantities, using multi-view proton radiography and tomographic inversion. We infer magnetic fields that extend several millimeters off the target into the hot, rarefied corona, sufficient to strongly magnetize the plasma (Ω e τ e ≫ 1). The data are compared to MHD simulations incorporating recent improvements in modeling magnetic field generation and transport; the volume-averaged coronal field strength and magnetic flux agree to within 25% using a model with magnetic re-localization of transport, although the near-target morphology is not reproduced. This work demonstrates tomographic proton radiography as a valuable tool for investigating magnetic fields in laser-produced plasmas.

High-energy-density plasmas↗

DOE OSTI2023

Oxidation Chemistry of Bicarbonate and Peroxybicarbonate: Implications for Carbonate Management in Energy Storage

Carbonate formation presents a major challenge to energy storage applications based on low-temperature CO 2 electrolysis and recyclable metal–air batteries. While direct electrochemical oxidation of (bi)carbonate represents a straightforward route for carbonate management, knowledge of the feasibility and mechanisms of direct oxidation is presently lacking. Herein, we report the isolation and characterization of the bis(triphenylphosphine)iminium salts of bicarbonate and peroxybicarbonate, thus enabling the examination of their oxidation chemistry. Infrared spectroelectrochemistry combined with time-resolved infrared spectroscopy reveals that the photoinduced oxidation of HCO 3 – by an Ir(III) photoreagent results in the generation of the short-lived bicarbonate radical in less than 50 ns. The highly acidic bicarbonate radical undergoes proton transfer with HCO 3 – to furnish the carbonate radical anion and H 2 CO 3 , leading to the eventual release of CO 2 and H 2 O, thus accounting for the appearance of H 2 O and CO 2 in both electrochemical and photochemical oxidation experiments. Here, the back reaction of the carbonate radical subsequently oxidizes the Ir(II) photoreagent, leading to carbonate. In the absence of this back reaction, dimerization of the carbonate radical provides entry into peroxybicarbonate, which we show undergoes facile oxidation to O 2 and CO 2 . Together, the results reported identify tangible pathways for the design of catalysts for the management of carbonate in energy storage applications.

25 ENERGY STORAGE↗

DOE OSTI2026

Carbon Tetrachloride Degradation Results for 200-ZP-1 Operable Unit

Carbon tetrachloride (CT) contamination in the 200-ZP-1 Operable Unit (OU) at the Hanford Site originated from large-volume discharges to the subsurface during plutonium production operations between 1955 and 1973. Contamination migrated through more than 70 meters of unsaturated sediment to reach the underlying unconfined aquifer, where it persists as a large and complex groundwater plume. The 200-ZP-1 OU Record of Decision (ROD) requires that groundwater CT concentrations be reduced to 3.4 µg/L within 125 years. Current groundwater modeling projections estimate that the existing pump-and-treat, even when combined with monitored natural attenuation (specifically hydrolysis), will not achieve this target within the designated timeframe. A fundamental contributor to this shortfall is the extremely slow rate of CT hydrolysis under Hanford aquifer conditions, which has been estimated to have a half-life of 630 years. If faster-acting biotic and abiotic degradation processes are operating within the aquifer, their contribution to CT mass reduction could have a meaningful impact. However, site-specific measurements of these processes and their rates have not previously been performed. This report documents the results of a two-phase laboratory investigation designed to characterize and quantify the capacity of site-specific 200-ZP-1 OU sediments and groundwater to support natural attenuation of CT through biotic and abiotic pathways. In this context, degradation capacity is defined as the intrinsic potential of the subsurface matrix to transform CT under optimized, controlled conditions. System capacity is evaluated in two ways: (1) as rate-limited capacity, which establishes the maximum kinetic velocity of CT transformation and is measured using half-lives and first order rate constants; and (2) as mass limited capacity, which defines the total contaminant mass the batch experimental system can degrade before reactants are exhausted, representing the maximum amount of contaminant the microbial community and reactive mineral phases can transform under the experimental conditions.

abiotic degradation↗

NASA NTRS2026

Satellite Optical Remote Sensing of Clouds and Aerosols: From Particle Single-Scattering and Gaseous Absorption Through Radiative Transfer to Retrieval Products

Clouds and aerosols are fundamental regulators of Earth’s radiation budget and climate system, influencing both solar and terrestrial radiation through scattering, absorption, and emission processes. Accurate characterization of their physical and radiative properties from space requires a rigorous understanding of particle single-scattering, gaseous absorption, and radiative transfer in the atmosphere, as well as reliable inversion methods. This review synthesizes the physical foundations and algorithmic implementations of satellite-based passive optical remote sensing of clouds and aerosols, spanning the ultraviolet to thermal infrared spectral range. Beginning with electromagnetic scattering theory and state-of-the-art methods for computing single-scattering by nonspherical particles and computationally efficient methods for accounting for atmospheric absorption, we discuss the radiative transfer framework underpinning cloud and aerosol retrievals. The connection between single-scattering and multiple-scattering is rigorously formulated. We then summarize operational and research-grade retrieval techniques, including cloud masking and thermodynamic phase determination, CO₂ slicing for cloud-top pressure, the Nakajima-King shortwave bi-spectral, and infrared split-window approaches for cloud optical thickness and effective particle size, inversion algorithms for determining aerosol properties from multi-spectral and/or multi-angle radiometric and polarimetric measurements, and active-passive sensing synergy. Examples of the global cloud and aerosol climatologies are illustrated using observations from the Moderate Resolution Imaging Spectroradiometer (MODIS) and the Multi-angle Imaging SpectroRadiometer (MISR). Furthermore, the unique strengths of active remote sensing techniques based on spaceborne lidar observations are briefly elaborated in the context of studying ice clouds composed of randomly and horizontally oriented ice crystals, which is a significant challenge for conventional passive remote sensing techniques. By connecting physical theory to practical retrievals, this review highlights both the maturity of current methodologies and the remaining challenges in reducing uncertainties in particle morphology, vertical structure, absorption, and aerosol-cloud interactions. Furthermore, the impact of artificial intelligence (AI) on atmospheric remote sensing is briefly addressed.

Aerosols↗

DOE OSTI2024

Cosmic neutrino decoupling and its observable imprints: insights from entropic-dual transport

Abstract Very different processes characterize the decoupling of neutrinos to form the cosmic neutrino background (CνB) and the much later decoupling of photons from thermal equilibrium to form the cosmic microwave background (CMB). The CνB emerges from the fuzzy, energy-dependent neutrinosphere and encodes the physics operating in the early universe in the temperature rangeT∼ 10 MeV toT∼ 10 keV. This is the epoch where beyond Standard Model (BSM) physics, especially in the neutrino sector, may be influential in setting the light element abundances, the necessarily distorted fossil neutrino energy spectra, and other light particle energy density contributions. Here we use techniques honed in extensive CMB studies to analyze the CνB as calculated in detailed neutrino energy transport and nuclear reaction simulations of the protracted weak decoupling and primordial nucleosynthesis epochs. Our moment method, relative entropy, and differential visibility approach can leverage future high precision CMB and light element primordial abundance measurements to provide new insights into the CνB and any BSM physics it encodes. We demonstrate that the evolution of the energy spectrum of the CνB throughout the weak decoupling epoch is accurately captured in the Standard Model by only three parameters per species, a non-trivial conclusion given the deviation from thermal equilibrium and the impact of the decrease of electron-positron pairs. Furthermore, we can interpret each of the three parameters as physical characteristics of a non-equilibrium system. Though the treatment presented here makes some simplifying assumptions including ignoring neutrino flavor oscillations, the success of our compact description within the Standard Model motivates its use also in BSM scenarios. We further demonstrate how observations of primordial light element abundances can be used to place constraints on the CνB energy spectrum, deriving response functions that can be applied for general deviations from a thermal spectrum. Combined with the description of those deviations that we develop here, our methods provide a convenient and powerful framework to constrain the impact of BSM physics on the CνB.

Astronomy & Astrophysics↗

DOE OSTI2026

Solid neon as a noise-resilient host for electron qubits above 100 mK

Solid neon can be used as a solid host for single-electron qubits. At temperatures of around 10 mK, electron-on-solid-neon charge qubits exhibit long coherence times and high operation fidelities. However, a systematic characterization of the noise features of such systems is needed for the development of scalable quantum information architectures. Here, in this work, we show that solid neon can be used as a noise-resilient host for electron qubits above 100 mK. We examine the resilience of solid neon against charge and thermal noise when electron-on-solid-neon charge qubits are operated away from the charge-insensitive sweet spot and at elevated temperatures. We show that the extracted high-frequency charge noise density of electron-on-solid-neon qubits, projected as voltage fluctuations on nearby electrodes, is between 10 −4 μV 2 Hz −1 and 10 −6 μV 2 Hz −1 at 0.01 MHz to 1 MHz, which is comparable to common semiconductor hosts. We also show that the electron-on-solid-neon charge qubits operating at frequencies of around 5 GHz can maintain echo coherence times of over 1 μs at temperatures up to 400 mK.

42 ENGINEERING↗

DOE OSTI2025

Monitoring Depolymerization in Mesopores Using Dynamic Properties of Polymeric Melt Accessed via Dielectric Spectroscopy

Traditional design principles for heterogeneous catalysis guide the use of catalytic particles with mesosized (∼2–50 nm) pores to increase the number of surface-active sites by way of an increased surface area. However, the entry of long-chain polymers into such pores may be significantly limited by the size and entanglement of polymers in the melt state, thereby decreasing the number of accessible sites. Assessment of catalyst performance from traditional reactor-based studies averages over intrapore reaction events as well as reactions on the surface of a particle, resulting in an inability to distinguish between differences in site accessibility and activity. Techniques that assess the intrapore performance can inform the design of future heterogeneous catalysts for polymer upcycling. In this work, we demonstrate the use of broadband dielectric spectroscopy to monitor depolymerization of a polymer melt within mesopores via changes in the segmental relaxation time scale of amorphous polymer chains. In particular, we highlight the use of an anodic aluminum oxide (AAO) membrane as a readily available model for catalyst pores with a well-characterized pore morphology. The decrease in the segmental relaxation (α-relaxation) time of the melt with increasing chain scission emerges as a measure of the extent of polymer deconstruction inside mesopores. To demonstrate the utility of this technique, we demonstrate the decomposition of two commercial poly(propylene carbonate) polymers with different decomposition rates within mesopores. As the polymers depolymerize, their segmental relaxation time decreases as the molecular weight decreases (as predicted by the Fox–Flory equation). The BDS-measured change in segmental relaxation time mirrors the expected trend based on change in molecular weight measured by size exclusion chromatography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

Battery Evaluation Profiles for X-57 and Future Urban Electric Aircraft

Battery Electric Aircraft↗

DOE OSTI2023

Four Years of Type Ia Supernovae Observed by TESS: Early-time Light-curve Shapes and Constraints on Companion Interaction Models

Abstract We present 307 type Ia supernova (SN) light curves from the first 4 yr of the Transiting Exoplanet Survey Satellite mission. We use this sample to characterize the shapes of the early-time light curves, measure the rise times from first light to peak, and search for companion star interactions. Using simulations, we show that light curves must have noise <10% of the peak flux to avoid biases in the early-time light-curve shape, restricting our quantitative analysis to 74 light curves. We find that the mean power-law index t β 1 of the early-time light curves isβ 1 = 1.93 ± 0.57, and the mean rise time to peak is 15.7 ± 3.5 days. The underlying population distribution forβ 1 may instead consist of a Gaussian component with mean 2.29, width 0.34, and a long tail extending to values less than 1.0. We find that the data can rarely distinguish between models with and without companion interaction models. Nevertheless, we find three high-quality light curves that tentatively prefer the addition of a companion interaction model, but the statistical evidence for the companion interactions is not robust. We also find two SNe that disfavor the addition of a companion interaction model to a curved power-law model. Taking the 74 SNe together, we calculate 3σupper limits on the presence of companion signatures to control for orientation effects that can hide companions in individual light curves. Our results rule out common progenitor systems with companions having Roche lobe radii >31R ⊙ (separations >5.7 × 10 12 cm, 99.9% confidence level) and disfavor companions having Roche lobe radii >10R ⊙ (separations >1.9 × 10 12 cm, 95% confidence level). Lastly, we discuss the implications of our results for the intrinsic fraction of single degenerate progenitor systems.

Astronomy & Astrophysics↗

DOE OSTI2026

Pressure-Stabilized MnSb2 with Complex Incommensurate Magnetic Order

Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and magnetic characterization of MnSb2, a marcasite-type compound that is thermodynamically metastable under ambient pressure. Single crystals were synthesized using a cubic multianvil press at 3.3 GPa and 490 °C for 24 h, and powder and single-crystal X-ray diffraction confirm the orthorhombic Pnnm structure. These crystals are stable at ambient pressure for a long time up to between 450 and 500 K. Heat-capacity measurements reveal phase transitions at approximately T0 ∼ 118 K and T1 ∼ 220 K. Neutron diffraction uncovers an unconventional magnetic state below T1 ∼ 220 K. Magnetic powder neutron diffraction refinements reveal possible multiple magnetic configurations that provide comparably acceptable fits to the experimental data. While most solutions are consistent with a spin-density-wave (SDW) description, helical models systematically yield inferior agreement factors. Across a broad range of models, the Mn ordered moment reaches a maximum value of approximately 2 μB and remains predominantly collinear, with minimal canting along the c-axis. At 200 K, the magnetic propagation vector is q = (0, 0.3975, 0.3783); upon cooling, the b component increases toward 0.5, reflecting a temperature-dependent evolution of the modulation. The need for modification of the magnetic model between high and low temperatures further highlights the complex and strongly temperature-dependent nature of the magnetic order in this system. These results establish MnSb2 as a pressure-stabilized marcasite magnet with a tunable, complex magnetic state and a compelling stoichiometric platform for exploring unconventional magnetic behavior, including potential altermagnetism.

Xu, Mingyu [Michigan State University , , , ,; Iow↗

DOE OSTI2026

Demonstration of gold nanorod systems for enhanced total efficiency: Experimental and numerical analysis

This study investigates the photothermal performance of gold nanorods engineered to exhibit longitudinal plasmon resonances at 695 nm, 780 nm, and 970 nm. The work combines synthesis, structural characterization, extinction measurements, numerical modeling, and controlled temperature experiments to quantify how nanorod geometry, resonance tuning, concentration, and chamber shape jointly influence heat generation. Transmission electron microscopy confirms that increasing nanorod aspect ratio systematically shifts the longitudinal plasmon peak toward the near-infrared region. Extinction measurements show strong agreement with theoretical predictions, validating the numerical model across two independent datasets. Three chamber geometries were tested under laser excitation at 640 nm, 808 nm, and 980 nm: an ascending stepped base, a flat base, and a descending stepped base. Without nanorods, the ascending geometry produced the highest efficiency due to enhanced natural convection. After introducing gold nanorods, all geometries exhibited substantial thermal enhancement, with total efficiencies exceeding 20%. The strongest improvement was obtained for nanorods resonant at 780 nm with a mass concentration of 4.6 mg/mL implemented on the descending stepped-base geometry. This performance resulted from the combined effect of spectral overlapping with the 808 nm laser, the highest nanorod concentration, and localized heat accumulation that intensified buoyancy-driven flow. The findings demonstrate that total efficiency is governed by a synergistic interplay between optical resonance, nanoparticle concentration, and macroscopic chamber design, revealing the system-level coupling between nanoscale plasmonic absorption and macroscale heat-transfer phenomena. The results provide a validated framework for tuning nanoscale plasmonic absorbers and optimizing thermal systems for applications requiring efficient light-to-heat conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

Systems Engineering and Analysis in Support of a US Federal Staging Facility for UNF

The US Department of Energy Office of Nuclear Energy (DOE-NE) Office of Spent Fuel and High-Level Waste Disposition is examining a set of system options and conducting supporting analyses to inform the development of an integrated waste management system, which may include one or more federal staging facilities (FSFs) for used nuclear fuel (UNF ) sited using a collaborative siting process. This paper focuses on the ongoing activities in two systems engineering and analysis work areas: (1) data and tools development, validation, and maintenance and (2) systems engineering execution. Within the first work area, the STANDARDS 5.0 UNF data and analysis tool, formerly known as UNF-ST&DARDS, is being developed as a foundational resource to assist in the management of UNF data. It has the key capability to model UNF throughout the entire back end of the fuel cycle. STANDARDS also includes several compatible analysis tools for the time-dependent characterization of UNF and related systems by interfacing with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Also, within the data and tools area is the Next Generation System Analysis Model (NGSAM), which is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system, including the transportation of UNF to and from a FSF. NGSAM has been developed to enable informed decision-making by providing the capability to analyze various potential system options for the management of UNF and high-level radioactive waste. Finally, in the systems engineering execution area, the team has begun to apply a disciplined systems engineering approach at the system level along with supporting analysis to guide the development of the FSF project requirements (including associated transportation infrastructure). Systems engineering principles and practices and their adaptation/application to design and development activities will ensure that the waste management system is effectively implemented as work proceeds. Other activities include investigating the implications of changes in various assumptions and parameters related to waste management systems, such as UNF acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed facility operation start dates. Keywords: federal staging facility (FSF), used nuclear fuel (UNF), integrated waste management (IWM) system, Next Generation System Analysis Model (NGSAM), STANDARDS, systems engineering

Joseph, Robert↗

DOE OSTI2025

Topological prethermal strong zero modes on superconducting processors

Abstract Symmetry-protected topological phases 1–4 cannot be described by any local order parameter and are beyond the conventional symmetry-breaking model 5 . They are characterized by topological boundary modes that remain stable under symmetry respecting perturbations 1–4,6–8 . In clean, gapped systems without disorder, the stability of these edge modes is restricted to the zero-temperature manifold; at finite temperatures, interactions with mobile thermal excitations lead to their decay 9–11 . Here we report the observation of a distinct type of topological edge mode 12–14 , which is protected by emergent symmetries and persists across the entire spectrum, in an array of 100 programmable superconducting qubits. Through digital quantum simulation of a one-dimensional disorder-free stabilizer Hamiltonian, we observe robust long-lived topological edge modes over up to 30 cycles for a wide range of initial states. We show that the interaction between these edge modes and bulk excitations can be suppressed by dimerizing the stabilizer strength, leading to an emergent U(1) × U(1) symmetry in the prethermal regime of the system. Furthermore, we exploit these topological edge modes as logical qubits and prepare a logical Bell state, which exhibits persistent coherence, despite the system being disorder-free and at finite temperature. Our results establish a viable digital simulation approach 15–18 to experimentally study topological matter at finite temperature and demonstrate a potential route to construct long-lived, robust boundary qubits in disorder-free systems.

Science & Technology - Other Topics↗

DOE OSTI2024

Photoelectrochemical Proton-Coupled Electron Transfer of TiO 2 Thin Films on Silicon

TiO 2 thin films are often used as protective layers on semiconductors for applications in photovoltaics, molecule–semiconductor hybrid photoelectrodes, and more. Experiments reported here show that TiO 2 thin films on silicon are electrochemically and photoelectrochemically reduced in buffered acetonitrile at potentials relevant to photoelectrocatalysis of CO 2 reduction, N 2 reduction, and H 2 evolution. On both n-type Si and irradiated p-type Si, TiO 2 reduction is proton-coupled with a 1e – :1H + stoichiometry, as demonstrated by the Nernstian dependence of the Ti 4+/3+ E 1/2 on the buffer pK a . Experiments were conducted with and without illumination, and a photovoltage of ∼0.6 V was observed across 20 orders of magnitude in proton activity. The 4 nm films are almost stoichiometrically reduced under mild conditions. The reduced films catalytically transfer protons and electrons to hydrogen atom acceptors, based on cyclic voltammogram, bulk electrolysis, and other mechanistic evidence. TiO 2 /Si thus has the potential to photoelectrochemically generate high-energy H atom carriers. Characterization of the TiO 2 films after reduction reveals restructuring with the formation of islands, rendering TiO 2 films as a potentially poor choice as protecting films or catalyst supports under reducing and protic conditions. Altogether, this work demonstrates that atomic layer deposition TiO 2 films on silicon photoelectrodes undergo both chemical and morphological changes upon application of potentials only modestly negative of RHE in these media. While the results should serve as a cautionary tale for researchers aiming to immobilize molecular monolayers on “protective” metal oxides, the robust proton-coupled electron transfer reactivity of the films introduces opportunities for the photoelectrochemical generation of reactive charge-carrying mediators.

Electrodes↗

DOE OSTI2025

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Modeling Radiolysis and Chemical Reactions during Dry Storage of Aluminum-clad Spent Nuclear Fuel

After aluminum-clad spent nuclear fuel (ASNF) is removed from the reactor, it is initially stored in spent fuel pools, which are specially designed water-filled basins that provide temporary cooling to reduce the temperature of the fuel assemblies and provide radiation shielding. ASNF continues to generate heat due to the radioactive decay of elements within the fuel, which persists for many years post-shutdown as the residual radioactive products decay into more stable elements. During the wet storage period, an oxyhydroxide layer composed of boehmite/bayerite forms on the surfaces of the aluminum cladding from exposure to water in the pools. Road-ready packaging for long-term disposition of the ASNF involves dry storage in helium backfilled DOE standard canisters (DSCs). When the ASNF is removed from water storage and dried, most of the water is removed, but some physisorbed and chemisorbed water remains in the oxyhydroxide layers. This residual water can produce hydrogen when exposed to radiation from the ASNF during dry storage. Predicting hydrogen accumulation over time in the DSCs is critical for long-term storage considerations. Previous modeling efforts have developed coupled computational fluid dynamics (CFD)-chemical models to simulate temperature, pressure, and gas phase concentrations within the DSCs. These models use the thermal field predicted by CFD as input to a radiolysis model for the gas phase and the surface oxyhydroxide layer chemistry. Given the long storage period of the DSCs and the impracticality of long-term experiments, a simulation-based approach is necessary to assess chemical evolution within the canisters. This study advances the development of a modeling framework designed to simulate the chemical evolution of spent fuel canisters. Both thermal and radiation-driven reactions are considered, with radiation kinetics quantified using G-values. Sensitivity analysis identifies key parameters influencing species composition. Reaction pathway diagrams offer insight into dominant species formation routes, enabling more effective comparisons between model predictions and experimental observations, particularly regarding the production of hydrogen. Results show that the model predicts significant hydrogen gas production with minimal oxygen generation, primarily due to hydrogen formation via boehmite pathways. These findings underscore the importance of accurately characterizing surface-bound species and radiolysis kinetics. A deeper understanding of these mechanisms is critical for evaluating the long-term safety of nuclear waste storage.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗