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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

CO (2) Electroreduction on Borated Copper Surfaces: Boron Active Sites, Not Copper

Boron-doped copper has recently emerged as an active and stable catalyst for the electrochemical reduction of CO 2 to value-added C 2 products. Here, in this work, we develop a realistic model of CO electroreduction on surface borides of copper under operational conditions, taking into account the effects of electrode potential, electrolyte environment, and pH. We study the possible reconstruction of the electrocatalyst surface using grand canonical DFT and global optimization to obtain a potential-dependent grand canonical ensemble description of metastable, hydrogen-covered catalyst surfaces. Two key surface configurations, low H coverage (LC, −0.6 V SHE ) and high H coverage (HC, −0.8 V SHE ), dominate this ensemble, with the former being kinetically persistent and C 2 selective under strongly reducing conditions. Nonmetallic boron sites on the surface copper boride are found to bind CO more strongly than copper sites, and mechanistic investigation of CO electroreduction pathways presents a surprisingly unconventional case of boron-centered reactivity in contrast to typical copper-centered reactivity. Neighboring boron sites present along boron chains on the surface copper boride are found to facilitate C−C coupling, thereby driving the high C 2 selectivity of this electrocatalyst.

boron-doped copper↗
NASA NTRS1995

Scattering of water from the glycerol liquid-vacuum interface

Molecular dynamics calculations of the scattering of D2O from the glycerol surface at different collision energies are reported. The results for the trapping probabilities and energy transfer are in good agreement with experiments. The calculations demonstrate that the strong attractive forces between these two strongly hydrogen bonding molecules have only a minor effect on the initial collision dynamics. The trapping probability is influenced to a significant extent by the repulsive hard sphere-like initial encounter with the corrugated surface and, only at a later stage, by the efficiency of energy flow in the multiple interactions between the water and the surface molecules.

NASA Center ARC↗
NASA NTRS1999

Step Bunching: Influence of Impurities and Solution Flow

Step bunching results in striations even at relatively early stages of its development and in inclusions of mother liquor at the later stages. Therefore, eliminating step bunching is crucial for high crystal perfection. At least 5 major effects causing and influencing step bunching are known: (1) Basic morphological instability of stepped interfaces. It is caused by concentration gradient in the solution normal to the face and by the redistribution of solute tangentially to the interface which redistribution enhances occasional perturbations in step density due to various types of noise; (2) Aggravation of the above basic instability by solution flowing tangentially to the face in the same directions as the steps or stabilization of equidistant step train if these flows are antiparallel; (3) Enhanced bunching at supersaturation where step velocity v increases with relative supersaturation s much faster than linear. This v(s) dependence is believed to be associated with impurities. The impurities of which adsorption time is comparable with the time needed to deposit one lattice layer may also be responsible for bunching; (4) Very intensive solution flow stabilizes growing interface even at parallel solution and step flows; (5) Macrosteps were observed to nucleate at crystal corners and edges. Numerical simulation, assuming step-step interactions via surface diffusion also show that step bunching may be induced by random step nucleation at the facet edge and by discontinuity in the step density (a ridge) somewhere in the middle of a face. The corresponding bunching patterns produce the ones observed in experiment. The nature of step bunching generated at the corners and edges and by dislocation step sources, as well as the also relative importance and interrelations between mechanisms 1-5 is not clear, both from experimental and theoretical standpoints. Furthermore, several laws controlling the evolution of existing step bunches have been suggested, though unambiguous conclusions are still missing. Addressing these issues is the major goal of the present project. The theory addressing the above problem, experimental methods, several figures which include: (1) the spatial wave numbers at which the system is neutrally stable as a function of growth velocity for linear kinetics and supersaturation for nonlinear kinetics; (2) a schematic of the experiment of lysozyme crystal growing under conditions of natural convection; (3) fluctuations in time, t, of the normal growth rate, R(t), vicinal slope, p(t) and Fourier Spectra of R(t), discussions and conclusions are presented.

Chernov, A. A.↗
DOE OSTI2026

Spin Polarization Enhanced Ethanol Selectivity in Electrocatalytic CO 2 Reduction on the Paramagnetic CuO Surface

We report an electrochemical CO 2 reduction reaction catalyzed by a paramagnetic and conductive CuO/Cu interface with spins polarized by a moderate external magnetic field (MF) of similar to 800 gauss, achieving a similar to 30% increase in CO 2 -to-C 2+ Faradaic efficiency (FE) compared to that in the absence of the MF in a flow cell electrolyzer. At a current density of 400 mA/cm 2 , the CO 2 -to-C 2+ FE reached 86.7 ± 2.7% with 47.9 ± 1.4% cathodic energy efficiency (EE) in contrast to the CO 2 -to-C 2+ FE of 67.6% with 36.4% of EE in the absence of MF. Notably, ethanol production exhibits a much higher response to the MF (similar to 55.6% increase in FE) than ethylene (similar to 6.4% increase in FE) at 400 mA/cm 2 . In situ surface-enhanced Raman spectroscopy (SERS) captured magnetic-field-enhanced *CO coverage and ethanol-forming C 2 intermediates on CuO/Cu, providing direct spectroscopic evidence of spin-modulated pathway selection. Here, computational study suggests that the enhancement of ethanol selectivity is due to the reduced reaction kinetic barrier under MF, while the ethylene selectivity is less affected, mainly due to the insensitivity of the kinetic barriers under MF.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Flash healing of laser-induced graphene

The advancement of laser-induced graphene (LIG) technology has streamlined the fabrications of flexible graphene devices. However, the ultrafast kinetics triggered by laser irradiation generates intrinsic amorphous characteristics, leading to high resistivity and compromised performance in electronic devices. Healing graphene defects in specific patterns is technologically challenging by conventional methods. Herein, we report the rapid rectification of LIG’s topological defects by flash Joule heating in milliseconds (referred to as F-LIG), whilst preserving its overall structure and porosity. The F-LIG exhibits a decreased I D /I G ratio from 0.84 – 0.33 and increased crystalline domain from Raman analysis, coupled with a 5-fold surge in conductivity. Pair distribution function and atomic-resolution imaging delineate a broader-range order of F-LIG with a shorter C-C bond of 1.425 Å. The improved crystallinity and conductivity of F-LIG with excellent flexibility enables its utilization in high-performance soft electronics and low-voltage disinfections. Notably, our F-LIG/polydimethylsiloxane strain sensor exhibits a gauge factor of 129.3 within 10% strain, which outperforms pristine LIG by 800%, showcasing significant potential for human-machine interfaces.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Modeling complex chemical effects in turbulent nonpremixed combustion

Virtually all of the energy derived from the consumption of combustibles occurs in systems which utilize turbulent fluid motion. Since combustion is largely related to the mixing of fluids and mixing processes are orders of magnitude more rapid when enhanced by turbulent motion, efficiency criteria dictate that chemically powered devices necessarily involve fluid turbulence. Where combustion occurs concurrently with mixing at an interface between two reactive fluid bodies, this mode of combustion is called nonpremixed combustion. This is distinct from premixed combustion where flame-fronts propagate into a homogeneous mixture of reactants. These two modes are limiting cases in the range of temporal lag between mixing of reactants and the onset of reaction. Nonpremixed combustion occurs where this lag tends to zero, while premixed combustion occurs where this lag tends to infinity. Many combustion processes are hybrids of these two extremes with finite non-zero lag times. Turbulent nonpremixed combustion is important from a practical standpoint because it occurs in gas fired boilers, furnaces, waste incinerators, diesel engines, gas turbine combustors, and afterburners etc. To a large extent, past development of these practical systems involved an empirical methodology. Presently, efficiency standards and emission regulations are being further tightened (Correa 1993), and empiricism has had to give way to more fundamental research in order to understand and effectively model practical combustion processes (Pope 1991). A key element in effective modeling of turbulent combustion is making use of a sufficiently detailed chemical kinetic mechanism. The prediction of pollutant emission such as oxides of nitrogen (NO(x)) and sulphur (SO(x)) unburned hydrocarbons, and particulates demands the use of detailed chemical mechanisms. It is essential that practical models for turbulent nonpremixed combustion are capable of handling large numbers of 'stiff' chemical species equations.

Smith, Nigel S. A.↗
NASA NTRS1976

Sulfidation of 310 stainless steel at sulfur potentials encountered in coal conversion systems

The sulfidation of SAE 310 stainless steel was carried out in gas mixtures of hydrogen and hydrogen sulfide over a range of sulfur potentials anticipated in advanced coal gasification processes. The kinetics, composition, and morphology of sulfide scale formation were studied at a fixed temperature of 1,065 K over a range of sulfur potentials from .00015 Nm to the -2nd power to 900 Nm to the -2nd power. At all sulfur potentials investigated, the sulfide scales were found to be multilayered. The relative thickness of the individual layers as well as the composition was found to depend on the sulfur potential. The reaction was found to obey the parabolic rate law after an initial transient period. Considerably longer transient periods were found to be due to unsteady state conditions resulting from compositional variations in the spinel layer. The sulfur pressure dependence on the parabolic rate constant was found to best fit the equation K sub p equals const. (P sub S2) to the 1/nth power, where n equals 3.7. The growth of the outer layers was found to be primarily due to the diffusion of metal ions, iron being the predominant species. The inner layer growth was due to the dissociation of the primary product at the alloy scale interface and depended on the activity of chromium.

Rao, D. B.↗
NASA NTRS2013

Space Station Integrated Kinetic Launcher for Orbital Payload Systems (SSIKLOPS) - Cyclops

Access to space for satellites in the 50-100 kg class is a challenge for the small satellite community. Rideshare opportunities are limited and costly, and the small sat must adhere to the primary payloads schedule and launch needs. Launching as an auxiliary payload on an Expendable Launch Vehicle presents many technical, environmental, and logistical challenges to the small satellite community. To assist the community in mitigating these challenges and in order to provide the community with greater access to space for 50-100 kg satellites, the NASA International Space Station (ISS) and Engineering communities in collaboration with the Department of Defense (DOD) Space Test Program (STP) is developing a dedicated 50-100 kg class ISS small satellite deployment system. The system, known as Cyclops, will utilize NASA's ISS resupply vehicles to launch small sats to the ISS in a controlled pressurized environment in soft stow bags. The satellites will then be processed through the ISS pressurized environment by the astronaut crew allowing satellite system diagnostics prior to orbit insertion. Orbit insertion is achieved through use of the Japan Aerospace Exploration Agency's Experiment Module Robotic Airlock (JEM Airlock) and one of the ISS Robotic Arms. Cyclops' initial satellite deployment demonstration of DOD STP's SpinSat and UT/TAMU's Lonestar satellites will be toward the end of 2013 or beginning of 2014. Cyclops will be housed on-board the ISS and used throughout its lifetime. The anatomy of Cyclops, its concept of operations for satellite deployment, and its satellite interfaces and requirements will be addressed further in this paper.

Smith, James P.↗
DOE OSTI2025

Optimizing semi-hydrogenation of unsaturated hydrocarbons by electrolyte engineering approach

Electrochemical hydrogenation of unsaturated hydrocarbons, when powered by renewables, represents a unique opportunity to substitute current energy-intensive synthetic routes. Modulation of adsorption energies of the organic substrate and key intermediates of the reaction is critical for fine tuning of the yield, selectivity and kinetics of the reaction. Interestingly, mounting evidence exists regarding the role of electrolyte composition in the outcome of semi-hydrogenation reactions. Nevertheless, electrolyte optimization is a complex task, owing to its hybrid nature. Indeed, it is composed of water serving as a proton source, an organic solvent necessary to dissolve the organic substrate and a conducting salt. Herein, we demonstrate that varying conducting salt and organic solvent has a dramatic impact on the outcomes of semi-hydrogenation of alkynes. By varying salt and water concentrations, we demonstrate that water does not serve as a proton source, and instead addition of an acid is necessary. While increasing the acid concentration increases the yield of the reaction, at too large concentrations the hydrogen evolution reaction becomes predominant. Furthermore, by combining electrochemical measurements with spectroscopic techniques including Fourier transform infrared (FTIR) spectroscopy and small angle X-ray spectroscopy (SAXS), we demonstrate that the electrolyte solvation structure dramatically impacts the yield of the reaction. Organic solvents weakly interacting with water, including acetonitrile, form aqueous nanoheterogeneities that prevent the organic substrate from accessing the catalyst interface and thus lead to limited yields. Instead, solvents such as dimethylformamide form homogeneous mixtures with which all reactants can access the interface, leading to yields greater than 80% for optimized compositions.

Zhang, Rongyu↗
DOE OSTI2025

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE neams program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad range of advanced reactor concepts. The research and development approach under the thermal fluids technical area synergistically combines three length and time scales in a hierarchical multi-scale approach. To enable multi-scale thermal fluids capability using these codes, a key joint effort has been underway to develop an integrated system- and engineering-scale thermal fluids analysis capability, through integration of SAM and Pronghorn codes, both based on the MOOSE framework. This report summarizes recent advances in developing an integrated system- and engineering-scale modeling capability for the msr concept, which has gained significant interest in recent years. A consistent framework was established by coupling Pronghorn and SAM through the Saline interface, with thermophysical properties provided by the Molten Salt Thermal Property Database (MSTDB-TP). Further improvements were made to the coupling schemes and domain-overlapping strategies, enhancing the stability and robustness of multi-code simulations. Verification and validation efforts demonstrate the accuracy of this integration across a range of benchmark problems, including one-dimensional heated pipe flows, three-dimensional natural convection loops with evolving isotopic compositions, and \gls{msre} demonstration cases. Within Pronghorn, new capabilities were introduced to model corrosion and noble-metal plating phenomena, supported by an extended thermal-hydraulics framework and refined turbulence treatments. To capture two-phase flow behavior, a multiphase Euler–Euler model was implemented in Pronghorn, including advanced closure relations, high-resolution advection techniques, and capillary force reconstruction. Preliminary verification cases confirm the fidelity of the approach, while planned validation efforts target canonical multiphase benchmarks and application to msr components such as the msre pump bowl. Finally, updates to SAM’s msr mass transfer modeling were extended to consider noble gas migration into porous structures like graphite. The point kinetics model was updated to include reactivity feedback contributions from any defined species, such as xenon. The gas transport model was expanded for applicability to gas mixtures, bubble efflux phenomena, and species transport between liquid and gas phases. A selection of multi-scale Sherwood number correlations from MOSCATO/NekRS and multi-phase correlations from literature have been added for improved accuracy in calculating mass transfer coefficients. A companion effort on developing system-level redox corrosion has also been incorporated into SAM. Collectively, these enhancements strengthen the predictive capability of SAM and Pronghorn for simulating MSR thermal-hydraulics, corrosion, multiphase behavior, and fission-product transport, providing a more complete toolset for design, safety analysis, and licensing support of next-generation \gls{msr}s.

42 - ENGINEERING↗
DOE OSTI2026

Improving indirect-drive ablator performance through pulse shaping and material selection in double shell implosions

The double shell path to inertially confined volumetric thermonuclear burn relies on efficient kinetic energy transfer from an outer ablator shell to an inner shell containing DT fuel at implosion velocities near 250 km/s. In order to experimentally realize adequate compression, target imperfections and assembly features must be tightly controlled. Pulse shape and ablator material are critical design choices that impact all aspects of the implosion. In this article, we evaluate three designs: an Al ablator with single-shock radiation drive, a CH ablator with single-shock drive, and a CH ablator with reduced-adiabat 2-shock drive. All designs use the same W inner (pusher) shell overcoated with a glow discharge polymer tamper and filled with liquid-density DT. One-dimensional HYDRA simulations revealed that the plastic ablator design required the use of the 2-shock drive to match the performance of the Al design. Two-dimensional simulations resolving broadband surface roughness up to modes of several hundred placed only on the ablator showed plastic to greatly outperform Al. The plastic ablator designs did exhibit higher levels of inner shell instability growth when surface roughness was only placed at the pusher/tamper interface, which was mitigated with higher foam cushion densities. A unique and additional benefit of a plastic ablator is also discussed, where heating of the ablator by Au M-band radiation is predicted to rapidly expand the hemi-shell surfaces, closing the equatorial joint gap ahead of the first shock. Taken together, the properties of the plastic ablator for indirect-drive double shell implosions appear promising in removing several long-standing fabrication challenges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2000

Diffusion Driven Combustion Waves in Porous Media

Filtration of gas containing oxidizer, to the reaction zone in a porous medium, due, e.g., to a buoyancy force or to an external pressure gradient, leads to the propagation of Filtration combustion (FC) waves. The exothermic reaction occurs between the fuel component of the solid matrix and the oxidizer. In this paper, we analyze the ability of a reaction wave to propagate in a porous medium without the aid of filtration. We find that one possible mechanism of propagation is that the wave is driven by diffusion of oxidizer from the environment. The solution of the combustion problem describing diffusion driven waves is similar to the solution of the Stefan problem describing the propagation of phase transition waves, in that the temperature on the interface between the burned and unburned regions is constant, the combustion wave is described by a similarity solution which is a function of the similarity variable x/square root of(t) and the wave velocity decays as 1/square root of(t). The difference between the two problems is that in the combustion problem the temperature is not prescribed, but rather, is determined as part of the solution. We will show that the length of samples in which such self-sustained combustion waves can occur, must exceed a critical value which strongly depends on the combustion temperature T(sub b). Smaller values of T(sub b) require longer sample lengths for diffusion driven combustion waves to exist. Because of their relatively small velocity, diffusion driven waves are considered to be relevant for the case of low heat losses, which occur for large diameter samples or in microgravity conditions, Another possible mechanism of porous medium combustion describes waves which propagate by consuming the oxidizer initially stored in the pores of the sample. This occurs for abnormally high pressure and gas density. In this case, uniformly propagating planar waves, which are kinetically controlled, can propagate, Diffusion of oxidizer decreases the wave velocity. In addition to the reaction and diffusion layers, the uniformly propagating wave structure includes a layer with a pressure gradient, where the gas motion is induced by the production or consumption of the gas in the reaction as well as by thermal expansion of the gas. The width of this zone determines the scale of the combustion wave in the porous medium.

Aldushin, A. P.↗
NASA NTRS2004

Update on the Status of the FLUKA Monte Carlo Transport Code

The FLUKA Monte Carlo transport code is a well-known simulation tool in High Energy Physics. FLUKA is a dynamic tool in the sense that it is being continually updated and improved by the authors. Here we review the progresses achieved in the last year on the physics models. From the point of view of hadronic physics, most of the effort is still in the field of nucleus--nucleus interactions. The currently available version of FLUKA already includes the internal capability to simulate inelastic nuclear interactions beginning with lab kinetic energies of 100 MeV/A up the the highest accessible energies by means of the DPMJET-II.5 event generator to handle the interactions for greater than 5 GeV/A and rQMD for energies below that. The new developments concern, at high energy, the embedding of the DPMJET-III generator, which represent a major change with respect to the DPMJET-II structure. This will also allow to achieve a better consistency between the nucleus-nucleus section with the original FLUKA model for hadron-nucleus collisions. Work is also in progress to implement a third event generator model based on the Master Boltzmann Equation approach, in order to extend the energy capability from 100 MeV/A down to the threshold for these reactions. In addition to these extended physics capabilities, structural changes to the programs input and scoring capabilities are continually being upgraded. In particular we want to mention the upgrades in the geometry packages, now capable of reaching higher levels of abstraction. Work is also proceeding to provide direct import into ROOT of the FLUKA output files for analysis and to deploy a user-friendly GUI input interface.

Pinsky, L.↗
DOE OSTI2025

Stimulus-Responsive Modulation of Solvation Environments in Solid Catalysts

Liquid environments play a crucial role in the biological processes occurring in living organisms as well as in many human-made processes involving electrochemistry, photo-, and thermocatalysis. In the majority of these systems, aqueous phases are ubiquitous due to water’s natural abundance. Water molecules, however, can exert large changes in the chemical environment of catalytically active sites, altering the reaction rates, selectivity, and catalyst stability. These solvation effects induced by water molecules near catalytic sites can drastically change the energy landscape and unlock unique reaction pathways with far more favorable kinetics. In nature, living organisms couple these complex interactions with detection, communication, and actuation mechanisms to induce self-regulatory behavior, ensuring stability of the system and thus long-term durability. Extrapolating this behavior to heterogeneous catalysis is desirable because the resulting “smart materials” can potentially unlock new chemical conversion processes with higher atom efficiency, rates, and stability. The combination of polymer chemistry and heterogeneous catalysis has introduced versatile approaches for creating materials that can respond to cues in the reaction medium that alter the accessibility, intrinsic activity, and selectivity of the catalyst. To achieve this, one could combine stimulus-responsive polymers, which undergo a large volumetric phase transition in response to an external stimulus, with a solid catalyst. This chemo-mechanical response has been employed to create a variety of nanoreactor vessels with stimulus-responsive character that turn on- and off- depending on the reaction conditions. In this Account, we focus on the impact of these polymer coatings on the solvation environment around the active site and the implications of these effects on the reaction energy landscape, molecular arrangement of the solvent, electric fields at the catalyst–liquid interface, binding energy, and mobility of surface reaction intermediates. These seemingly subtle changes in solvent molecules induced by the presence of polymers can have a tremendous impact on the development of bioinspired heterogeneous catalysts, reliable chemical clocks, micro/nanoreactors, and robots. The large library of polymer chemistries offers a plethora of combinations of stimulus-responsive mechanisms (e.g., temperature, pH, light, magnetic field, solvent composition), providing the possibility of creating homeostatic catalysts à la carte.

catalysts↗
DOE OSTI2026

A Cryogenic Muon Tagging System Integrated with a Superconducting Qubit Device for Radiation-Induced Error Mitigation

Superconducting qubits are highly sensitive to ionizing radiation, which can induce correlated errors and limit scalable fault-tolerant quantum computing. In particular, cosmic-ray muons can deposit energy in the substrate, generating phonon bursts that break Cooper pairs and produce quasiparticles, leading to correlated decoherence events across multiple qubits. We present the development of a cryogenic muon tagging system based on Kinetic Inductance Detectors (KIDs) and its integration with superconducting quantum hardware. Originally developed within the ACE-SuperQ project and validated as a standalone detector, the system demonstrated a muon tagging efficiency of approximately 90% and excellent agreement with Monte Carlo simulations. Building on this validation, the tagging system has been integrated with a multi-qubit superconducting chip operated in a dilution refrigerator. The detector configuration consists of a multi-layer KID stack arranged above and below the quantum device, enabling time-coincident identification of muon-induced events within the same cryogenic environment. The integrated setup has been successfully commissioned, enabling simultaneous operation of the qubit chip and the muon tagging system. A first measurement campaign has been carried out, and preliminary data show time-correlated events between the muon tagging detectors and the qubit readout. A quantitative analysis of radiation-induced effects on qubit performance is currently ongoing. This work represents a step toward the implementation of event-level radiation tagging as a tool for characterizing and potentially mitigating correlated errors in superconducting quantum processors, while establishing a modular platform for future studies at the interface between particle physics and quantum information science.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
DOE OSTI2026

Enhanced Electrocatalytic and Cathode‐Electrolyte Interfacial Properties With a Pr‐Based Simple Perovskite/Ruddlesden‐Popper Nanocomposite Cathode in Protonic Ceramic Fuel Cells

The sluggish kinetics and poor stability of the oxygen reduction reaction (ORR) remain the primary bottleneck for achieving high performance in protonic ceramic fuel cells (PCFCs) at intermediate temperatures (400–650°C). In this work, a Pr-based nanocomposite cathode comprised of simple perovskite phase (PrNi 0.7 Co 0.3 O 3-δ ) and Ruddlesden-Popper phase (Co-doped Pr 4 Ni 3 O 10+δ ) is developed. Although PrNi 0.7 Co 0.3 O 3-δ solely stands as a good cathode with facile proton transfer, combining the superior catalytic activity against oxygen on the Ruddlesden-Popper phase boosts the ORR performance further. The designed nanocomposite cathode outperforms the simple perovskite cathode, attributed to enhanced oxygen absorption and surface diffusion with the Ruddlesden-Popper phase. A precursor-based cathode deposition technique is also developed to achieve cathode grain sizes of ∼100 nm. A single cell with the nanocomposite cathode delivers a peak power density of 1.38 W cm −2 at 650°C, among the highest in reported PCFCs with Pr-based cathodes, with a small degradation rate of 0.145 mV h −1 during 250 h stability test. Further investigation of cathode-electrolyte interface revealed interfacial PrO 2 phase formation, promoted by abundant Pr 6 O 11 in the nanocomposite precursor powder, thereby improving both ohmic resistance and stability. These findings highlight the effectiveness of the nanocomposite cathode and underscore its advantages on interfacial properties.

08 - HYDROGEN↗
DOE OSTI2026

Molecular insights into CO 2 -to-bicarbonate transformation in functionalized anion exchange ionomers for electrochemical separations

Bipolar membrane (BPM) electrochemical processes are a promising platform for carbon dioxide (CO 2 ) separations, but the molecular level thermodynamic and kinetic understanding of CO 2 -to-bicarbonate (HCO 3 − ) transformation remain poorly understood. This study employs a multiscale computational approach to systematically explore the adsorption and reactive transformation of CO 2 in five anion exchange ionomer systems. Classical molecular dynamics (MD) simulation results demonstrate that polymers with imidazolium groups significantly reduce CO 2 diffusion and enhance (OH − )–CO 2 interactions due to stronger electrostatic and π-interactions. Compared to the commonly used quaternary ammonium ionomers, imidazolium-functionalized ionomers show improved CO 2 proximity and interaction strength. Ab initio MD and density functional theory (DFT) calculations reveal that the benzyl-substituted imidazolium (IM-Ben) substantially reduces the energy barrier for HCO 3 − formation (∼72 meV lower) compared to the alkyl-substituted IM-nBu, while also mitigating imidazolium deprotonation under moderate hydration conditions. Transition state analysis shows IM-Ben forms more extensive hydrogen-bonding networks, which stabilize the transition state structure and contribute to a lower energy barrier for bicarbonate formation. These findings highlight the advantage of the adjacent benzyl moiety in enabling efficient CO 2 -to-bicarbonate transformation via hydrated hydroxide ion counterions, offering mechanistic insights and clear molecular design principles for optimizing anion exchange ionomers at bipolar membrane interfaces for electrochemical CO 2 separation applications.

Bipolar membranes, Reactive transformation of CO2,↗
NASA NTRSDate not supplied

The Doppler Wind and Temperature Sounder (DWTS) Flight Evaluation and Experiments (TES-16,17)

The Doppler Wind and Temperature Sounder instrument (DWTS) developed by Global Atmospheric Technologies and Sciences (GATS) is a simple yet powerful tool with the potential to become a new window through which the study of upper atmosphere dynamics can occur. Based around a defense-grade infrared camera peering through a static gas cell used as a scanning spectral filter, a DWTS instrument can infer wind velocities and kinetic temperatures throughout the stratosphere and lower thermosphere. The DWTS achieves this scanning by measuring the induced Doppler shift and Doppler broadening of emissions as they pass through the DWTS field of view (Gordley, Marshall, 2011). The DWTS holds promise in improving accuracy in weather determination among other terrestrial benefits, and the core technology can be easily adapted to study the dynamics of other planetary atmospheres. In partnership with GATS, NOAA, and other collaborators, NASA Ames and the Nano-Orbital Workshop (NOW) group have been working to evaluate the DWTS instrument on orbit and optimize it as a flexible payload for nanosatellites. The first mission selected for DWTS technical evaluation is preparing for flight in early 2024, which will be followed by a more capable science mission in 2025, with both missions being part of the TES-n/NOW heritage flight series. The first rapid technology demonstration flight, TES-16/DWTS-A, will demonstrate a single DWTS instrument in an approximately 2U payload volume. With an estimated power consumption of 50 watts, the instrument will maintain the imaging sensor plane at 80K during instrument performance evaluation periods using an integrated Stirling cryocooler. Data from DWTS will be captured and processed via a NOW-designed custom data interface unit before being transmitted via S-band radio back to select ground stations, with instrument command and control maintained via L-band global-coverage radio. The subsequent TES-17/DWTS-B mission will be a dedicated science mission tasked with validating the instrument’s full altitude coverage capabilities, currently estimated from 20 to 200 km during both day and night. This new atmospheric observational capability will come from a single small satellite equipped with three DWTS imagers, each hosting a different gas cell chemistry, to form a complete instrument. The intention of this flight series, and one of NASA’s interests in this instrument, is not only to advance Earth atmospheric dynamics, but to advance a Martian atmospheric study instrument as well (Colaprete, Gordley, et al) which, if successful, would greatly further understanding of Martian atmospheric dynamics. This document describes the flight series in detail, including challenges facing the TES-16 flight tests and the projected challenges and application of Mars study. Additional detail regarding the possible applications of a Cognitive Communication technique in current flight development by NOW collaborators at the NASA Glenn Research Center is also discussed, including the implications of using an automated User Initiated Service (UIS) protocol to maximize the data collected per orbit.

DWTS Nano-satellite TES-n↗