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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Method for Rapid and Precise Triple Oxygen Isotope Measurements via High-Temperature Conversion to CO Followed by Nickel-Catalyzed CO to CO 2 Conversion and Laser Spectroscopy

Triple oxygen isotopic compositions ( 16 O, 17 O, 18 O) have conventionally been measured via isotope ratio mass spectrometry using O 2 as an analyte. Conversion of sample oxygen to O 2 typically utilizes fluorination chemistry or catalytic equilibration between CO 2 and O 2 . Recently, laser spectroscopy has become a viable alternative for triple oxygen isotope (Δ' 17 O) measurements due to its ease and rapid throughput. Laser spectrometers are currently available for Δ' 17 O analysis of either H 2 O or CO 2 as the analyte gas. So far, these instruments have been used to measure Δ' 17 O of water, carbonate (CO 2 liberated by acid digestion), and atmospheric CO 2 samples. Here, we present a new method for high-precision Δ' 17 O analysis of CO 2 via tunable infrared laser direct absorption spectroscopy that is compatible with a wider range of geochemically important materials. This approach involves converting sample oxygen to CO 2 in two steps. First, the sample oxygen is liberated and reduced to CO by high-temperature conversion at 1450 °C in the presence of excess elemental carbon. Then, CO is catalytically converted to CO 2 over hot nickel at 350 °C. The conversion process is rapid (10 to 30 min) and quantitative. Spectroscopic Δ' 17 O analysis of the resulting CO 2 takes approximately 45 min. By measuring several oxygen isotope standards, we demonstrate that the method is precise (1σ = 12 per meg for procedural replicates) and accurate (within 11 per meg of previously reported values). The method can be applied to most pyrolytic materials where quantitative oxygen conversion is attainable, such as sulfate, phosphate, nitrate, and oxide minerals, water, and organic molecules.

Ellis, Nicholas M. [University of California, Berk↗
DOE OSTI2026

The Perils of AI-Assisted Time Conversion Critical Errors in J2000 Time to UNIX/UTC Conversions Using AI Assistants (Technical Memorandum)

This memo addresses a critical issue encountered when using AI assistants for time system conversions, specifically converting data tagged with J2000 seconds through UNIX time to UTC. Initial AI responses to this common conversion task were fundamentally incorrect, with errors exceeding 37 seconds - enough to cause significant issues in many applications. This document demonstrates the problem, quantifies the error, and provides best practices for using AI tools safely in technical work. Both Claude 4.5 Sonnet and ChatGPT GPT-5.5 Thinking gave the same answer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Nuclear-level effective theory of 𝜇 → 𝑒 conversion: Inelastic process

Mu2e and COMET will search for electrons produced via the neutrinoless conversion of stopped muons bound in 1s atomic orbits of 27 Al, improving existing limits on charged lepton flavor violation (CLFV) by roughly four orders of magnitude. Conventionally, 𝜇 → 𝑒 conversion experiments are optimized to detect electrons originating from transitions where the nucleus remains in the ground state, thereby maximizing the energy of the outgoing electron. Clearly, detection of a positive signal in forthcoming experiments would stimulate additional work—including subsequent conversion experiments using complementary nuclear targets—to further constrain the new physics responsible for CLFV. Here we argue that additional information can be extracted without the need for additional experiments, by considering inelastic conversion in 27 Al. Transitions to low-lying nuclear excited states can modify the near-endpoint spectrum of conversion electrons, with the ratio of the elastic and inelastic responses being sensitive to the underlying CLFV operator. We extend the nuclear effective theory of 𝜇 → 𝑒 conversion to the inelastic case, which adds five new response functions to the six that arise for the elastic process. We evaluate these nuclear response functions in 27 Al and calculate the resulting conversion-electron signal, taking into account the resolution anticipated in Mu2e/COMET. We find that 27 Al is an excellent target choice from the perspective of the new information that can be obtained from inelastic 𝜇 → 𝑒 conversion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Mechanisms of direct and converse piezoelectricity in ferroelectric polymers

Within the linear regime of mechanical and electrical responses, it is commonly accepted that direct and converse piezoelectric coefficients should be the same. However, we observed a consistently higher converse d 31 (∼54 pm/V) than the direct d 31 (∼42 pC/N) for a quenched, stretched, annealed, and electrically poled poly(vinylidene fluoride-co-trifluorethylene) [P(VDF-TrFE)] 52/48 mol.% sample (abbreviated as coP-52/48QSAP). On the contrary, the direct and converse d 31 values were the same for coP-65/35QSAP and coP-55/45QSAP. Small-angle X-ray scattering results showed that coP-52/48QSAP had a higher amount of relaxor-like secondary crystals (SCs) in the oriented amorphous fraction (OAF) (SC OAF ) than coP-55/45QSAP and coP-65/35QSAP. To explain the experimental observation, we performed molecular dynamics (MD) simulation of the pure PVDF (without TrFE) to estimate direct and converse piezoelectricity for the PVDF OAF. Based on the MD simulation, the direct d 31 had a plateau value around 350 pC/N for the transverse (i.e., along the chain direction) strain up to 1 %, whereas the simulated converse d 31 could be lower (for electric field E < 0.8 MV/m), equal (for E = 0.8 MV/m), or higher (for E > 0.8 MV/m) than the direct d 31 , depending on the poling electric field. From the MD simulation, both mechano-electrostriction and electrostatic interaction were identified in the OAF as the driving force for enhanced piezoelectricity in ferroelectric PVDF. In conclusion, when ferroelectric domains were formed in the OAF by electric poling, the simulated converse d 31 became higher than the direct d 31 . Combining both experimental and MD simulation results, the higher converse d 31 than direct d 31 for coP-52/48QSAP was understood qualitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Efficient up-conversion in CsPbBr 3 nanocrystals via phonon-driven exciton-polaron formation

Lead halide perovskite nanocrystals demonstrate efficient up-conversion, although the precise mechanism remains a subject of active research. This study utilizes steady-state and time-resolved spectroscopy methods to unravel the mechanism driving the up-conversion process in CsPbBr 3 nanocrystals. Employing above- and below-gap photoluminescence measurements, we extract a distinct phonon mode with an energy of ~7 meV and identify the Pb-Br-Pb bending mode as the phonon involved in the up-conversion process. This result was corroborated by Raman spectroscopy. We confirm an up-conversion efficiency reaching up to 75%. Transient absorption measurements under conditions of sub-gap excitation also unexpectedly reveal coherent phonons for the subset of nanocrystals undergoing up-conversion. This coherence implies that the up-conversion and subsequent relaxation is accompanied by a synchronized and phased lattice motion. This study reveals that efficient up-conversion in CsPbBr 3 nanocrystals is powered by a unique interplay between the soft lattice structure, phonons, and excited states dynamics.

Anti-Stokes Photoluminescence↗
DOE OSTI2024

Techno-economic analysis and network design for CO 2 conversion to jet fuels in the United States

The conversion of carbon dioxide (CO 2 ) into jet fuel holds significant potential for reducing CO 2 emissions, providing an alternative to carbon-based resources, and offering a renewable means of energy storage. The objective of this study is to conduct a techno-economic analysis and optimize the supply chain network for converting CO 2 to jet fuel in the United States, aiming to minimize total costs while assessing the environmental and economic feasibility of two CO 2 conversion pathways. This first pathway is based on Fischer-Tropsch synthesis (FTS), and the other one is based on the valorization and upgrading of light methanol (MeOH). Incorporating spatial and techno-economic data, a mixed-integer linear programming model was developed to select source plants and conversion pathways, locations of conversion refinery sites, and the amount of captured CO 2 across the United States. The optimal results indicate that the FTS pathway is adopted at all selected refineries when the hydrogen price is 1000 dollars/t and the operating cost, mainly electricity used in conversion, is reduced to 5 % of its current level. Under this scenario, the total annual profit is 8 billion dollars, and the net carbon emissions are -88,783,284 tons. The sensitivity analyses reveal that the prices of electricity and hydrogen significantly contribute to total production costs. The CO 2 recycle percentage of the FTS pathway influences the choice of applied pathways at refineries. Additionally, a higher conversion rate holds a substantial promise for reducing the total production cost and can make the MeOH pathway a viable choice.

10 SYNTHETIC FUELS↗
DOE OSTI2025

Impact of neutrino flavor conversions on neutron star merger dynamics, ejecta, nucleosynthesis, and multimessenger signals

We present numerical relativity simulations of binary neutron star mergers incorporating neutrino flavor transformations triggered by fast flavor instability, quantum many-body effects, or potential beyond standard model physics. In both long-lived and short-lived remnant scenarios, neutrino flavor conversions modify species-dependent neutrino luminosities and mean energies, and drive the matter towards more neutron rich conditions. They produce up to more neutron rich ejecta and significantly boost the r-process yields, especially in low-density, near-equatorial outflows. We identify regions unstable to fast flavor instabilities and find that these instabilities persist despite flavor conversions. We further test the sensitivity to the equilibration timescale of the flavor conversions, finding that slower flavor conversions can interact with thermodynamic equilibration, and increase the neutron richness of the ejecta. Flavor conversions may also contribute to stronger gravitational wave and neutrino emissions, pointing to a correlation between neutrino transport and merger dynamics. Furthermore, these results highlight the potential impact of flavor conversions while motivating future work to improve on theoretical understanding of flavor instabilities in global simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Reactive Capture and Conversion of Carbon Dioxide to Methanol with ZnZrO 2 and Alkali-Promoted Mg 3 AlO x Mixed Oxide Catalytic Sorbents

Reactive capture and conversion (RCC) explores the use of a single-unit process to capture CO 2 and produce a product, in this case, methanol (MeOH). In this study, different configurations of a catalytic sorbent (CS) composed of ZnZrO 2 catalyst and Mg 3 AlO x sorbent with and without alkali modification are evaluated for CO 2 adsorption, steady-state catalysis with cofed CO 2 and H 2 , and transient RCC performance. A catalyst composed of a physical mixture of Mg 3 AlO x with ZnZrO 2 resulted in a slight increase in CO 2 uptake, with a low impact on the catalytic activity and RCC of the materials compared to ZnZrO 2 alone. In contrast, Na impregnation significantly increased the level of CO 2 uptake from 0.28 mmol/g (ZnZrO 2 alone) to 0.6 and 1.1 mmol/g for the CS with Na on the catalyst or Mg 3 AlO x , respectively. However, Na impregnation reduced the CO 2 conversion rate and MeOH selectivity during steady-state cofeed experiments at 300 °C and 6 bar. In contrast to steady-state catalysis conditions, RCC, which is a cyclic capture and conversion process, creates dynamic CO 2 and H 2 surface coverages, favoring CH 4 in the early stages of the conversion step and then CO and MeOH as the catalyst CO 2 coverage reduces. The highest MeOH productivity during RCC was achieved with CS that balanced the CO 2 uptake with only moderate catalyst rate reductions caused by Na addition. The optimal material, ZnZrO 2 +10%Na/Mg 3 AlO x , achieved a CO 2 uptake of 0.8 mmol/g and a MeOH productivity of 0.5 mmol/g with 100% selectivity at 260 °C and 6 bar during RCC. This marks the highest RCC MeOH productivity reported to date, although the process needs further optimization and even with optimization, may remain impractical. The results further demonstrate that optimization of catalytic sorbents under steady-state flow conditions does not easily correlate to transient capture and conversion cycles for methanol synthesis from CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Long-Range Metal–Sorbent Interactions Determine CO 2 Capture and Conversion in Dual-Function Materials

Carbon capture and utilization involve multiple energy- and cost-intensive steps. Dual-function materials (DFMs) can reduce these demands by coupling CO 2 adsorption and conversion into a single material with two functionalities: a sorbent phase and a metal for catalytic CO 2 conversion. The role of metal catalysts in the conversion process seems salient from previous work, but the underlying mechanisms remain elusive and deserve deeper investigation to achieve maximum utilization of the two phases. Here, for this work, preformed colloidal Ru nanoparticles were deposited onto a “NaOx”/Al 2 O 3 sorbent to prepare prototypical DFMs with controlled phases for CO 2 capture and hydrogenation to CH 4 . Ru addition was found to double the high-temperature CO 2 adsorption capacity by activating the “NaOx”/Al 2 O 3 sorbent phase during a reductive pretreatment step. Most importantly, low Ru loadings were sufficient to ensure maximum CO 2 adsorption and conversion. This was attributed to the key role of the metal–sorbent interactions, wherein Ru was required to hydrogenate strongly bound CO 2 on the “NaO x ”/Al 2 O 3 sorbent to CH 4 via the H 2 activated on Ru. This interaction facilitated rate-determining carbonate migration and subsequent hydrogenation at the metal–sorbent interface. Overall, Ru controlled the CO 2 hydrogenation reaction rate, while the “NaO x ”/Al 2 O 3 sorbent dictated the CO 2 uptake capacity. By controlling metal–sorbent interactions at the molecular level, we demonstrate the critical role of the two phases and their synergy, facilitating the design of DFMs with maximum CO 2 capture and conversion efficiency.

carbon capture↗
DOE OSTI2025

Overcoming the conversion reaction limitation at three-phase interfaces using mixed conductors towards energy-dense solid-state Li–S batteries

Lithium–sulfur (Li–S) all-solid-state batteries (ASSBs) hold great promise for next-generation safe, durable and energy-dense battery technology. However, solid-state sulfur conversion reactions are kinetically sluggish and primarily constrained to the restricted three-phase boundary area of sulfur, carbon and solid electrolytes, making it challenging to achieve high sulfur utilization. Here, in this study, we develop and implement mixed ionic–electronic conductors (MIECs) in sulfur cathodes to replace conventional solid electrolytes and invoke conversion reactions at sulfur–MIEC interfaces in addition to traditional three-phase boundaries. Microscopic and tomographic analyses reveal the emergence of mixed-conducting domains embedded in sulfur at sulfur–MIEC boundaries, helping promote the thorough conversion of active sulfur into Li 2 S. Consequently, substantially improved active sulfur ratios (up to 87.3%) and conversion degrees (>94%) are achieved in Li–S ASSBs with high discharge capacity (>1,450 mAh g –1 ) and long cycle life (>1,000 cycles). The strategy is also applied to enhance the active material utilization of other conversion cathodes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Three-dimensional core-collapse supernova models with phenomenological treatment of neutrino flavor conversions

Abstract We perform three-dimensional supernova simulations with a phenomenological treatment of neutrino flavor conversions. We show that the explosion energy can increase to as high as $\sim 10^{51}$ erg depending on the critical density for the onset of flavor conversions, due to a significant enhancement of the mean energy of electron antineutrinos. Our results confirm previous studies showing such energetic explosions, but for the first time in three-dimensional configurations. In addition, we predict neutrino and gravitational wave (GW) signals from a nearby supernova explosion aided by flavor conversions. We find that the neutrino event number decreases because of the reduced flux of heavy-lepton neutrinos. In order to detect GWs, next-generation GW telescopes such as Cosmic Explorer and the Einstein Telescope are needed even if the supernova event is located at the Galactic Center. These findings show that the neutrino flavor conversions can significantly change supernova dynamics and highlight the importance of further studies on the quantum kinetic equations to determine the conditions of the conversions and their asymptotic states.

Mori, Kanji↗
DOE OSTI2024

Distinguishing Charged Lepton Flavor Violation Scenarios with Inelastic 𝜇 → 𝑒 Conversion

The Mu2e and COMET experiments are expected to improve existing limits on charged lepton flavor violation (CLFV) by roughly 4 orders of magnitude. 𝜇 → 𝑒 conversion experiments are typically optimized for electrons produced without nuclear excitation, as this maximizes the electron energy and minimizes backgrounds from the free decay of the muon. Here we argue that Mu2e and COMET will be able to extract additional constraints on CLFV from inelastic 𝜇 → 𝑒 conversion, given the 27 Al target they have chosen and backgrounds they anticipate. We describe CLFV scenarios in which inelastic CLFV can induce measurable distortions in the near-endpoint spectrum of conversion electrons, including cases where certain contributing operators cannot be probed in elastic 𝜇 → 𝑒 conversion. We extend the nonrelativistic EFT treatment of elastic 𝜇 → 𝑒 conversion to include the new nuclear operators needed for the inelastic process, evaluate the associated nuclear response functions, and describe several new-physics scenarios where the inelastic process can provide additional information on CLFV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Kinetics Modeling and Reactor Design Study of Glucose-to-Terpenes Cell-Free Conversion

Cell-free systems offer many advantages over traditional biological conversion by eliminating biological growth constraints. It also offers easy manipulation and finetuning of the reaction conditions for each individual enzyme. The conversion of cellulosic glucose to Limonene, a terpene, is a promising pathway for producing fuels and chemicals. Recent advances in developing cell-free systems focuses on bench scale optimization of terpene yield and to demonstrate its feasibility towards commercialization [1,2]. There is significant knowledge gap regarding reaction kinetics of these cell-free systems to further study how it will perform at larger scale. We present here, our studies on reaction kinetics and reactor design implications of cell-free glucose to Limonene conversion to facilitate the further development and commercialization of this process. We developed a novel kinetic model based on the metabolic-network structure of the cell-free system with multi-substrate reversible Michaelis-Menten rate law. To estimate kinetic parameters for this system of rate equations, we employed Bayesian optimization to perform global search with the assistance of gaussian processes to balance exploration and exploitation. The model parameters estimated showed good results compared with experimental data. The estimated parameters were used to perform sensitivity analysis. We found that Hexokinase is one of the most critical enzymes that affect the conversion of the glucose. We also observed that abundance of co-factors is also critical to the conversion of glucose to limonene. We investigated packed bed reactors with enzymes immobilized on the surface of particles to convert glucose stream into Limonene for larger scale production. The reactor design such as particle size, enzyme loading, and flow rate are found to be critical for improving yields. [1] Dudley, Q.M., Nash, C.J. and Jewett, M.C., 2019. Synthetic Biology, 4(1), p.ysz003. [2] Korman, T.P., Opgenorth, P.H. and Bowie, J.U., 2017. Nature communications, 8(1), p.15526.

09 BIOMASS FUELS↗
DOE OSTI2025

Efficiency and Physical Limitations of Adiabatic Direct Energy Conversion in Axisymmetric Fields

We describe and analyze a new class of direct energy conversion schemes based on the adiabatic magnetic drift of charged particles in axisymmetric magnetic fields. The efficiency of conversion as well as the geometrical and dynamical limitations of the recoverable power are calculated. The geometries of these axisymmetric field configurations are suited for direct energy conversion in radiating advanced aneutronic reactors and in advanced divertors of deuterium-tritium tokamak reactors. The E × B configurations considered here do not suffer from the classical drawbacks and limitations of thermionic and magnetohydrodynamic high-temperature direct energy conversion devices.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Sulfate Conversion of Reillex HPQ Anion Exchange Resin for Disposal (Interim Report)

This report describes preliminary data to validate the Savannah River Plutonium Processing Facility’s (SRPPF) flowsheet for conversion of used Reillex HPQ anion exchange resin from the nitrate form to the sulfate form. The nitrate form is an oxidizer and therefore does not meet acceptance criteria for disposal at the Waste Isolation Pilot Plant (WIPP). The purpose of this study is to develop data to support acceptance for this disposition pathway. Due to the challenges characterizing the nitrate concentration on solid resin, the data developed to date are based upon indirect analysis of the ion exchange column effluent by ion chromatography. These challenges are discussed and two methods for quantification of nitrate directly on the resin are recommended for further development: TGA-MS and permanganate digestion followed by IC. The resin used for this work was provided in the chloride form; this is the form in which resin is supplied by the manufacturer. However, it had to be converted to the nitrate form, which is the form that will be used in SRPPF’s ion exchange process, prior to use in the sulfate conversion experiments. The chloride-form resin was characterized. A lab-scale procedure for the conversion of Reillex HPQ resin from the chloride to nitrate form was validated. The nitrate-form resin was assessed for particle size and chloride concentration to ensure it met SRPPF’s facility specifications. The baseline sulfate conversion flowsheet was tested. However, nitrate was still detectable in the effluent after approximately 10 bed volumes of 1 M sodium sulfate had been passed through the resin bed. Additional experiments were performed to assess the effect of increasing the feed volume, reducing the flowrate, the use of 2 M sulfuric acid instead of sodium sulfate, and the use of irradiated resin. The sulfuric acid test was the only one which provided a nondetectable nitrate concentration (<0.002 M) in the effluent. Detectable nitrate in the column effluent suggests that nitrate is still present on the resin itself.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Microwave-assisted catalytic conversion of waste biomass and plastic feedstocks via thermochemical routes

Microwave-assisted catalytic conversion of waste feedstocks to fuels and value-added chemicals shows incredible promise as an efficient pathway to support the U.S. Department of Energy’s vision toward strengthening the nation’s energy independence. Microwave-heated systems have the potential to outperform conventional technologies through energy-efficient heating and improved product selectivity. This chapter emphasizes microwave-assisted catalytic approaches for waste conversion, allowing maximum energy recovery and extraction of valuable chemicals from waste feedstock such as biomass and plastics while reducing undesired byproducts. A gap remains in understanding how microwaves interact with materials to enable rapid and selective heating, which is crucial for improving catalytic efficiency. This chapter attempts to address this knowledge gap by proposing mechanisms that explain the microwave-catalytic interactions for efficient conversion of biomass-plastic wastes. In addition, comparisons with conventional catalytic technologies as well as the potential for scale ups and future commercialization of microwave-catalytic waste conversion technologies are also discussed.

microwave-assisted catalytic conversion↗
DOE OSTI2026

Bioelectrocatalytic conversion of CO₂ to PHA bioplastics using engineered methylotrophs

The sustainable generation of biodegradable plastics represents an opportunity to capture atmospheric CO 2 while reducing plastic waste accumulation in the environment. This study implements an integrated platform for bioelectrocatalytic CO 2 conversion to medium-chain-length polyhydroxyalkanoates (mcl-PHAs). Immobilizing cobalt phthalocyanine electrocatalysts on a covalent-organic framework in a gas recirculation electrolyzer enabled CO 2 -to-methanol conversion with a carbon conversion efficiency of 98%. Integration of polymer biosynthesis pathways enabled Methylotuvimicrobium alcaliphilum 20Z R to produce ~20% mcl-PHA of the dry cell weight with a CO 2 -to-bioproducts carbon conversion efficiency of 50%. This cell line was adapted to high sodium bicarbonate media, eliminating costly intermediate separation steps while improving economic potential. Transcriptomic analysis revealed sulfate transporters and peptidoglycan biosynthesis as key pathways involved in sodium bicarbonate halotolerance. Altogether, this research presents a foundation for integrating divergent chemical and biological processes into a transformative electrobiomanufacturing platform, addressing the need for alternative pipelines for generating valuable plastics and chemicals.

CO2 utilization↗
DOE OSTI2025

Thermoradiative energy conversion in infrared interband cascade InAs/GaSb/AlInSb/GaSb type-II superlattice diodes

Thermoradiative energy conversion presents a means for the direct conversion of thermal energy through radiative transfer to a cold scene. However, much of the study of thermoradiative principles has been based on theory and simulations, with only sparse reports on the experimental demonstration of the concept. This work studies thermoradiative energy conversion in InAs/GaSb/AlInSb/GaSb type-II superlattice cascade devices. The devices exhibit a cutoff wavelength of 3.2 μm at 300 K, corresponding to a bandgap of 0.39 eV. Testing under a temperature-controlled chamber and scene demonstrates a maximum power density of 2.9 mW/m2 at a cell temperature of 121 °C. It is consistent with expected values for device operation limited by Shockley–Read–Hall non-radiative recombination. This result is a significant step in providing an experimental demonstration of thermoradiative energy conversion and a means to characterize cell performance, providing a foundation for further development to achieve practical values for power generation.

Islam, Md Toriqul (ORCID:0000000249871320)↗