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DOE OSTI2025

Effect of Fe on Co-Based SiO2Al2O3 Mixed Support Catalyst for Fischer–Tropsch Synthesis in 3D-Printed SS Microchannel Microreactor

This research explores the effect of a composite support of SiO2 and Al2O3 with Fe and Co incorporated as catalysts for Fischer–Tropsch synthesis (FTS) using a 3D-printed stainless steel (SS) microchannel microreactor. Two mesoporous catalysts, FeCo/SiO2Al2O3 and Co/SiO2Al2O3, were synthesized via a one-pot (OP) method and extensively characterized using N2 physisorption, XRD, SEM, TEM, H2-TPR, TGA-DSC, FTIR, and XPS. H2-TPR results revealed that the synthesis method significantly affected the reducibility of metal oxides, thereby influencing the formation of active FTS sites. SEM-EDS and TEM further revealed a well-defined hexagonal matrix with a porous surface morphology and uniform metal ion distribution. FTS reactions, carried out in the 200–350 °C temperature range at 20 bar with a H2/CO molar ratio of 2:1, exhibited the highest activity for FeCo/SiO2Al2O3, with up to 80% CO conversion. Long-term stability was evaluated by monitoring the catalyst performance for 30 h on stream at 320 °C under identical reaction conditions. The catalyst was initially active for the methanation reaction for up to 15 h, after which the selectivity for CH4 declined. Correspondingly, the C4+ selectivity increased after 15 h of time-on-stream, indicating a shift in the product distribution toward longer-chain hydrocarbons. This trend suggests that the catalyst undergoes gradual activation or restructuring under reaction conditions, which enhances chain growth over time. The increase in C4+ products may be attributed to the stabilization of the active sites and suppression of methane or light hydrocarbon formation.

Biochemistry & Molecular Biology↗

DOE OSTI2022

Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

The dynamics of the dimethyl methylphosphonate (DMMP) radical cation after production by strong field adiabatic ionization have been investigated. Pump-probe experiments using strong field 1300 nm pulses to adiabatically ionize DMMP and a 800 nm non-ionizing probe induce coherent oscillations of the parent ion yield with a period of about 45 fs. The yields of two fragments, PO 2 C 2 H 7 + and PO 2 CH 4 + , oscillate approximately out of phase with the parent ion, but with a slight phase shift relative to each other. We use electronic structure theory and nonadiabatic surface hopping dynamics to understand the underlying dynamics. The results show that while the cation oscillates on the ground state along the P=O bond stretch coordinate, the probe excites population to higher electronic states that can lead to fragments PO 2 C 2 H 7 + and PO 2 CH 4 + . The computational results combined with the experimental observations indicate that the two conformers of DMMP that are populated under experimental conditions exhibit different dynamics after being excited to the higher electronic states of the cation leading to different dissociation products. These results highlight the potential usefulness of these pump-probe measurements as a tool to study conformer-specific dynamics in molecules of biological interest.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

15.3% AM1.5G Efficiency GaAs Solar Cells Fabricated via an Epitaxy-Free Process

Here, we report simple and potentially low-cost techniques for creating high-quality n-type gallium arsenide (GaAs) and GaAs p/n junctions and fabricate GaAs p/n junction solar cells. Detailed-balance modeling suggests that 20% AM1.5G efficiency p/n homojunction devices may be possible if the surface doping concentration can be limited to values less than ∼ 5 × 10 19 cm −3 . Our process exploits an open-tube, vapor-phase, deposition-free, zinc diffusion technique for forming p-type layers in melt-grown n-GaAs substrates that results in sheet resistances less than 1 kΩ/$\square$. In addition, we have improved the minority carrier diffusion lengths of melt-grown GaAs from less than one micron to over five microns using an open-tube, vacuum-free, annealing process which reduces the density of EL2 midgap defects. Finally, we have combined these advances to fabricate epitaxy-free, GaAs solar cells with a validated AM1.5G efficiency of 15.3%.

14 SOLAR ENERGY↗

NASA NTRS2026

Optimization of X-ray Absorbers for High-Resolution TES Detectors in NewATHENA X-IFU

NewATHENA’s X-ray Integral Field Unit (X-IFU) uses a large-format array of Transition Edge Sensor (TES) microcalorimeters coupled with absorbers made of gold and bismuth providing 4 eV FWHM resolution up to 7 keV in the 0.2- 12 keV band. X-ray absorbers must be thick enough for photon absorption, maintain low heat capacity for energy resolution, and have good thermalization properties. The X-IFU requires total Quantum Efficiency (QE) of 96%, 87%, and 63% at 1, 7, and 9.5 keV, respectively. Optimal thicknesses are 1.05 µm gold and 5.5 µm bismuth to achieve 0.731 pJ/K at 90 mK and 87% QE at 7 keV. While typical TES absorbers are 3-4 µm thick, producing the required 5.5 µm Bi absorbers via standard electroplating creates enlarged grains and surface roughness. The increased roughness and grain size variability produced with our standard recipe have resulted in instances of 1) low energy spectral tails 2) spectral broadening of the energy resolution and 3) thermal shorts between pixels when a large grain bridges the gap between absorbers. In this study, we have introduced a new fabrication process and altered the morphology of the thick Bi through changes in the electroplating process. The process changes are intended to address all three issues as well as reduce particulate contamination observed on the finished detector arrays.

Absorber↗

NASA NTRS2026

Designing a Propylene-Glycol Coolant Servicer System for Gateway’s Internal Active Thermal Control System

A human spacecraft ATCS—especially one using single-phase coolant loops exposed to cabin atmospheric conditions—requires periodic degassing and refilling to support long-duration missions of 15 to 30 years. During initial fill operations, system maintenance, gas permeation, and quick-disconnect mating or de-mating, small amounts of gas can gradually enter the coolant system over time. This can lead to degraded heat transfer performance, pump cavitation, and potentially pump vapor lock if a significant gas volume accumulates over time. Additionally, system leaks and routine fluid sampling can gradually reduce accumulator volumes to unacceptable levels, requiring periodic refills. In more severe cases, catastrophic changes in fluid composition may necessitate emergency draining, refilling, and degassing to ensure continued system functionality. These risks were identified and mitigated on the ISS ITCS through the development of a dual-membrane degasser ORU and a Fluid Servicer System ORU for coolant refilling. These systems were developed for the fully water-based ISS ITCS Coolant[1]. The Gateway space station, the first permanent human habitat in lunar orbit, uses a propylene-glycol/water coolant mixture, which has significantly different fluid properties compared to pure water. Because microgravity degassing technologies are sensitive to fluid surface tension and viscosity, existing ISS hardware is not suitable for servicing a propylene-glycol-based TCS. Unlike the ISS, the Gateway will operate in a higher-radiation environment and must meet stricter mass constraints due to its location outside of low earth orbit. This Government Furnished Equipment (GFE) flight hardware project aims to develop a lightweight, radiation-resistant Coolant Servicer System (CSS) capable of degassing and refilling Gateway’s propylene-glycol water-based IATCS.

Propylene Glycol Water↗

DOE OSTI2026

Catalytic disproportionation on carbon superstructures enables long-life, high-loading Li–S batteries

Electrocatalysis has been widely explored as an effective strategy to accelerate polysulfide (PS) conversion and suppress the shuttle effect in lithium–sulfur (Li–S) batteries. However, the underlying mechanisms remain elusive, and electrocatalytic reactions are inactive during cell resting. In this work, we reveal and quantitatively analyze a previously unrecognized sulfur reduction route (SRR) driven by catalytic disproportionation at the carbon cathode surface—fundamentally distinct from conventional electrocatalysis. Unlike conventional stepwise pathways, this SRR enables high-order polysulfides (Sₓ²⁻, x = 5–8) to directly convert into S₈ and Li₂S₂, bypassing low-order intermediates. This sulfur-reduction shortcut is systematically elucidated through high-performance liquid chromatography, revealing the intrinsic catalytic contribution of carbon frameworks and the dynamic evolution of PS species. We demonstrate that carbon superstructures (CSS-0.5), assembled from nanosheet subunits with abundant N/O functionalities and interconnected charge-migration channels, synergistically promote this catalytic process. Benefiting from these features, CSS-0.5 delivers superior electrochemical performance under practical conditions, enabling high sulfur loading (6.0 mg cm⁻²) pouch cells with 80.5% capacity retention over 210 cycles. This study provides the first quantitative evidence of electrocatalytic disproportionation in Li–S batteries, offering mechanistic insights and design principles for advanced sulfur cathodes.

25 ENERGY STORAGE↗

NASA NTRS2026

Designing a Propylene-Glycol Coolant Servicer System for Gateway’s Internal Active Thermal Control System

Propylene Glycol Water↗

DOE OSTI2025

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗

NASA NTRSDate not supplied

Spacecraft Fire Safety Predictions using Verified Saffire Model

A model developed using Fire Dynamics Simulator (FDS) that aimed to determine the effect of a fire in a spacecraft was validated by data collected during the Saffire campaign. The model used inlet and outlet temperatures and CO 2 concentrations of the Saffire payload where fire spread was taking place to determine the amount of heat and combustion products that made it into Northrop Grumman’s Cygnus vehicle. The model was then validated using six remote sensors in various places in the vehicle, as well as a far field device (FFD) in the open zenith section that was representative of average vehicle values. The current work focuses on using the model to predict fire safety scenarios. One simulation aimed to determine the fate of HCl, which sticks to surfaces. The model prediction showed that the HCl was removed from the atmosphere rapidly. This compared well against the FFD data in the Saffire VI campaign event where a bottle of 5% HCl was released into the vehicle. An additional simulation where the Environmental Control and Life Support System (ECLSS) was shut off once the FFD reached 5 ppm of HCl showed that HCl stayed in the atmosphere considerably longer. Continuing the simulation with the ECLSS activated and after temperatures returned to their initial conditions, resulted in a rapid removal of HCL similar to that observed in the original HCl release scenario model. Finally, a simulation that used the heat release rate from a lithium-ion battery test to determine the effect it would have on a spacecraft was performed. This simulation used a heat addition rate that is considerably higher than what was determined from the burning of solid fuels in the Saffire campaign and hence produced a non-trivial temperature increase in more locations within the vehicle.

Fire Safety↗

DOE OSTI2025

Electrochemical Behavior of Cerium at an Indium Tin-Doped Oxide Electrode in Acidic Media

The redox behavior and speciation of cerium at mesoporous thin films composed of nanoparticles of indium tin-doped oxide (nITO) electrodes were characterized in pH 4.8, 0.1 M acetate buffer and both 0.1 and 1 M HNO 3 using electrochemical techniques and X-ray photoelectron spectroscopy. Anodic deposition of ceria species from Ce(III) to the nITO electrode was achieved under all solvent conditions via spontaneous condensation of electrochemically generated ceric hydroxide species. In 1 M nitric acid, the rate of CeO 2 dissolution is on the same order as CeO 2 deposition, resulting in negligible amounts of CeO 2 electrodeposited at the nITO surface. The cathodic stripping of CeO 2 from the nITO substrate deposited in 0.1 M nitric acid or pH 4.8 acetate buffer follows a 2-step process where Ce(IV)-oxide is initially reduced to an unstable Ce(III)-oxide species that rapidly undergoes acid catalyzed dissolution to yield soluble Ce(III) (aq) . These findings provide a foundation for the pH and anodic potential controlled deposition of CeO 2 thin films to ITO substrates, which can aid in the development of materials composed of ceria. As a result, they can also be used to infer likely analogous actinide redox behavior and speciation at these electrodes.

Cerium↗

DOE OSTI2026

Liquified SO 2 induced solid/cathode electrolyte interphase for lithium ion batteries

Formation of robust solid/cathode electrolyte interphases (S/CEI) is vital for long-term stability and high-performance operation of lithium-ion batteries (LIBs), particularly under high voltage regimes. However, engineering electrochemically stable S/CEIs that effectively suppress interfacial side reactions remains a key challenge. Herein, we introduce a liquefied sulfur dioxide (SO 2 )– ionic liquid complex as a fluorine-free multifunctional electrolyte additive for the first time that significantly improves the formation of sulfate/sulfite-rich S/CEI layers at both graphite and NMC811 interfaces. The unique SO 2 -N coordination with a 1,2,4-triazolide-based ionic liquid enables homogeneous SO 2 dissolution, resulting in controlled SO 2 decomposition during the initial electrochemical cycle. This decomposition yields sulfur-rich interphase species that stabilize the electrolyte-electrode interface, reduce impedance growth, and lessen electrolyte decomposition. Electrochemical tests show significantly improved cycle life, reduced polarization, and increased Coulombic efficiency for both anodes and cathodes. XPS confirms the presence of SO 2 -derived surface species that contribute to interfacial stability. In conclusion, this approach highlights a new direction for interphase engineering using liquefied gas additives and opens pathways for sulfur-based S/CEI chemistry in advanced battery systems.

Graphite↗

NASA NTRS2026

Long-Term Evaluation of Landsat 9 Oli Data Product Uniformity at Focal Plane Module-Boundaries Using Earth Scenes

The uniformity performance characteristic in remote sensing data products is a metric that helps evaluate how an image accurately represents radiometric responses to geophysical variability at the Earth’s surface or within the atmosphere. These uniformity attributes are used in Earth remote sensing science applications such as investigating water quality, land-cover/land-use classifications, and crop health assessments. To ensure these applications perform effectively, it is crucial to maintain and regularly assess the uniformity of calibrated remote sensing data products. In the Landsat missions, data from the onboard radiometric reference Solar diffuser device are used as the standard approach to derive the calibration parameters, ensuring the maintenance of both absolute radiance and radiometric uniformity through quarterly updates. This publication presents an alternative approach that leverages Earth scene data to assess the on-orbit uniformity performance of the Landsat 9 (L9) mission. The analysis characterizes uniformity at a specific set of spatial positions (the focal-plane boundary zones) that are intrinsic to the Operational Land Imager (OLI) focal plane design. By employing these Earth data statistics, the article further explores the temporal trends in the radiometric uniformity results. The results shown in this article demonstrate that for pushbroom imaging design systems with staggered sensor chip focal plane architectures, the co-registered pixels, i.e., overlapping measurements of the same ground target viewed by different detectors, offer a self-contained mechanism for assessing product uniformity. Remarkably, this alternative approach achieves a level of radiometric quality comparable to that delivered by a stable, well-characterized onboard Solar diffuser calibration device. The findings demonstrate the potential and capability of such Earth scene statistics in maintaining radiometric uniformity in calibrated data products to better than 1% (1-sigma) throughout the mission’s operational lifetime.

trend↗

DOE OSTI2023

Composite Lithium Metal Structure to Mitigate Pulverization and Enable Long‐Life Batteries

In lithium metal batteries, non‐uniform stripping of lithium results in pit formation, which promotes subsequent non‐uniform, dendritic deposition. This viscous cycle leads to pulverization of lithium which promotes cell shorting or capacity degradation, symptoms further exaggerated by high electrode areal loading and lean electrolytes. Here, to address this challenge, a composite lithium metal anode is engineered that contains uniformly distributed, nanometer‐sized carbon particles. This composite lithium is shown to strip more uniformly since the growth of non‐uniform pits is intercepted by the carbon particles. This mechanism is corroborated by a continuum electrochemical model. Subsequent lithium deposition on carbon particles is also found to be more uniform than on the surface with irregular pits. Notably, the pulverization rate of composite lithium is 26 times slower than that of commercial lithium. Moreover, in a Li‐S battery with sulfurized polyacrylonitrile cathode, the use of the composite anode extends the cycle life by three times when the areal capacity is 8 mAh cm −2 . The approach of using an engineered lithium composite structure to address challenges during both stripping and plating can inform future designs of lithium metal anodes for high areal capacity operations.

high areal capacity↗

DOE OSTI2025

Amphiphilic nanopores that condense undersaturated water vapor and exude water droplets

Condensation of water vapor in confined geometries, known as capillary condensation, is a fundamental phenomenon with far-reaching implications. While hydrophilic pores enable liquid formation from undersaturated vapor without energy input, the condensate typically remains confined, limiting practical utility. Here, we explore the use of amphiphilic nanoporous polymer-infiltrated nanoparticle films that condense and release liquid water under isothermal and undersaturated conditions. By tuning the polymer fraction and nanoparticle size, we optimize condensation and droplet formation. As vapor pressure increases, voids fill with condensate, which subsequently exudes onto the surface as microscopic droplets. This behavior, enabled by a balance of polymer hydrophobicity and capillarity, reveals how amphiphilic nanostructures can drive accessible water collection. Our findings provide design insights for materials supporting energy-efficient water harvesting and heat management without external input.

Science & Technology - Other Topics↗

DOE OSTI2026

Biochar–polymer composites for 3D printing: a review

Biochar, a bio-based co-product of biofuel production via thermochemical conversion, holds potential as a filler for polymer composites to reduce costs, improve thermomechanical properties, and aid in environmental remediation. 3D-printed biochar composites have received growing interest over the past few years but have experienced difficulties such as poor layer adhesion and nozzle clogging. Currently, no literature review examines 3D-printed biochar composites and related biochar properties in-depth. This work summarizes and discusses recent studies on 3D-printed polymer and biochar composites and examines their mechanical, thermal, and additional properties that result from each study. Technical challenges in printability, such as nozzle clogging from particle size and biochar aggregation, are also discussed. Furthermore, this work discusses the variability of biochar properties resulting from the pyrolysis conditions and feedstock choice in relation to potential 3D printing outcomes. In particular, several studies reported that high lignin feedstocks could be candidates for 3D printing. The post-processing approaches of the biochar via physical and chemical methods are also introduced. Ball milling appears to hold the most promise for physical treatments due to its tunability of particle size, surface area, and functional groups, while chemical treatments with acids or alkalis are used to tailor biochar porosity and wettability. Overall, it was determined that future research needs to be done relating biochar production and post-processing methods to resulting 3D printing parameters as the number of studies is limited.

Day, Rachel [Auburn University, Auburn, AL]↗

NASA NTRSDate not supplied

Enabling Reliable, Fault-Tolerant Autonomous Lunar Habitats with High-Performance Spaceflight Computing

The lunar surface presents unfavorable constraints and harsh living conditions. To address these challenges, autonomous habitats will require complex integrated systems that combine advanced software, high-performance hardware, and cutting-edge sensors to ensure sustainability, safety, and operational efficiency. Consequently, maintaining a sustainable presence on the Moon requires reliable infrastructure and efficient development, precise monitoring, and utilization of resources within a lunar installation. These elements are essential not only to ensure that lunar settlement can be long-term, self-sustaining, and resource-efficient, but also to serve as a foundation for future missions and eventual human habitation on Mars. Humans are not native to the Moon; therefore, our survival and ability to thrive will depend on autonomous systems that can foster safety and resilience through high-availability architectures, graceful degradation, and highly fault-tolerant spaceflight hardware capable of continuing operation during failures. This requires advanced human-rated distributed systems architectures with specialized electronics, scalable capabilities, and an integrated design approach. Unlike current practices focused on short-term missions and regularly maintained components, permanent lunar compute systems must be designed for extended operations beyond mission durations. This paper explores the necessity of transitioning toward fault- tolerant, highly autonomous hardware systems designed for multi-year missions. It also identifies critical subsystems that require high levels of autonomy, supported by radiation-hardened processors and extreme thermal loads, which are essential to mitigate long-term degradation and ensure sustainable lunar habitation. Finally, the paper aligns with NASA’s identified Civil Space Shortfalls, particularly in high-performance onboard computing, advanced data acquisition, extreme-environment avionics, radiation monitoring and countermeasures, and autonomous health management. It proposes NASA’s new High-Performance Spaceflight Computing (HPSC) processor as a turnkey solution, delivering 100 times the performance-per-watt of legacy rad-hard CPUs and enabling onboard AI, edge computing, and fault-tolerant features essential for sustained lunar autonomy and beyond.

Sarkis S Mikaelian↗

DOE OSTI2023

CFD Simulation of the Dosing Behavior within the Atomic Layer Deposition Feeding System

The effective operation of atomic layer deposition (ALD) feeding system is the premise of realizing specific ALD processes. In the present work, a detailed computational fluid dynamics (CFD) model of the feeding system has been developed and validated, which accounts for the roles of ALD valves and manifolds. A numerical simulation of the compressible fluid flow and heat/mass transfer within the feeding system was conducted. The dosing amounts and the spatiotemporal distributions of the precursors can be accurately predicted using the CFD model, as validated by experimental results. Different precursors, operating conditions, and structures of the feeding system were simulated and analyzed to examine the operating flexibility of the feeding system. The simulation results can be adopted as the upstream boundary conditions for simulations of the ALD process in the reaction chamber. The substrate-scale simulation indicates that the effect of the feeding system on the film deposition is highly related to the surface kinetics of ALD. The present work can serve as a guide for the development and optimization of different ALD-based processes via proper operation and even the design of the feeding system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Semi-Dynamic Leach Testing of Densified Silicon-based Iodine Waste Forms

Iodine waste forms (IWF) require a conceptual corrosion release model (CCRM) to provide iodine (I) release rates for performance modeling nuclear waste disposal repositories. To develop a CCRM, an understanding of the corrosion mechanisms of the IWF are required along with data from consistent test methods to parameterize the model. The present study has advanced both areas by providing and assessing the corrosion resistance of IWF types based on their processing history in minor variations of semi-dynamic leach tests. The test included a series of semi-dynamic leach tests using monolithic IWFs in deionized water (leachant). Several experiments were conducted under alternate test conditions with changes to temperature, leachant replacement, leachant pH, leachant volume, masking, and surface finish to elucidate if varying these conditions impacted IWF corrosion behavior. Tests were conducted on two classes of IWFs: (1) I-bearing silver-mordenite (AgZ) materials processed by hot isostatic pressing (HIP) at different temperatures, pressures, sizes, and times; and (2) I-bearing silver-functionalized silica aerogels (SFA) processed by either HIP or spark plasma sintering (SPS). The corrosion susceptibility of AgZ samples was influenced by HIP temperature and pressure. The SPS SFAs retained I far better than HIP SFAs. Additional findings in this study include: (1) The iodine dissolution rate decreased with decreasing temperature, (2) a common ion effect may occur and slow dissolution of the host phase if the leachant is not regularly replaced, (3) pH controls the dissolution rate, and (4) the iodine dissolution rate slows with extended test time (up to 224 days). Based on this work, these parameters should thus be represented when developing a CCRM.

corrosion↗