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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

Evolving Electricity Supply and Demand to Achieve Net-Zero Emissions: Insights from the EMF-37 Study

This paper explores the role of electricity in achieving economy-wide net-zero CO2 emissions by 2050 in the United States based on results from 17 models as part of the 37th Stanford Energy Modeling Forum (EMF-37). In the study's Net-Zero scenario, the models use diverse pathways to achieve net-zero emissions by 2050, with gross energy-related residual emissions ranging from 17.2 to 66.6 % of 2020 levels. Electricity consistently emerges as central to achieving net-zero, with models projecting rapid electrification of end-uses and rapidly declining CO2 intensity of electricity. However, the extent of electrification and the technology mix to decarbonize the power sector vary considerably across models. In the Net-Zero scenario, electricity is projected to evolve from ~20 % of final energy in 2020 to 17-63 % in 2050 across the models driven by electrification in all sectors-buildings, industry, and transportation-and, to a lesser extent by direct air capture. By 2050, total electricity consumption increases by 24-176 % (relative to 2020), accompanied by significant expansion in renewable electricity production. Together, solar and wind generation grows by 175-834 %, supplying 45-90 % of total electricity in 2050, with wind achieving slightly higher shares than solar. Electricity storage technologies are deployed at scale to support wind and solar generation. The electricity generation mix varies across models: some project almost complete reliance on renewables, while others see a substantial role for natural gas, often with carbon capture and storage. This paper synthesizes the rich diversity of modeling approaches and results, highlighting differing views on how key drivers of electricity demand and supply might evolve.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

HD 202772A b: A Transiting Hot Jupiter around a Bright, Mildly Evolved Star in a Visual Binary Discovered by TESS

We report the first confirmation of a hot Jupiter discovered by the Transiting Exoplanet Survey Satellite (TESS) mission: HD 202772A b. The transit signal was detected in the data from TESS Sector 1, and was confirmed to be of planetary origin through radial velocity (RV) measurements. HD 202772A b is orbiting a mildly evolved star with a period of 3.3 days. With an apparent magnitude of V = 8.3, the star is among the brightest and most massive known to host a hot Jupiter. Based on the 27 days of TESS photometry and RV data from the CHIRON, HARPS, and Tillinghast Reflector Echelle Spectrograph, the planet has a mass of 1.017{sub −0.068}{sup +0.070} M{sub J} and radius of 1.545{sub −0.060}{sup +0.052} R{sub J}, making it an inflated gas giant. HD 202772A b is a rare example of a transiting hot Jupiter around a quickly evolving star. It is also one of the most strongly irradiated hot Jupiters currently known.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

X-ray diffraction, differential scanning calorimetry and evolved gas analysis of aged plutonium tetrafluoride (PuF4)

A 30 year-old PuF4 sample consisting of brown powder (PuF4-b) and pink granules (PuF4-p) was analyzed. X-ray difraction shows the bulk is comprised of three compounds: PuF4, PuO2, and PuF4·1.6H2O. Broadening of PuF4 XRD peaks suggests possible a-damage. After annealing at 650 °C, crystalline PuF4 and PuO2 remain. Thermogravimetric analysis and diferential scanning calorimetry—with simultaneous evolved gas analysis—of the separated PuF4-p and PuF4-b components reveal a distinct sequence of reactions. Dehydration occurs between~90 and 300 °C. Exothermic annealing of the a-damage occurs in two stages: at 350–355 °C and at 555–558 °C. Hydrofuoric acid, fuorine and helium desorb during the frst exotherm. Above 700 °C, PuF4 reacts with PuO2, resulting in oxygen release and mass loss.

PuF4, dsc, differential scanning calorimetry, plut↗
DOE OSTI2021

CaMn 3 IV O 4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S <9/2 and the Effect of Oxo Protonation

Abstract We report the single crystal XRD and MicroED structure, magnetic susceptibility, and EPR data of a series of CaMn 3 IV O 4 and YMn 3 IV O 4 complexes as structural and spectroscopic models of the cuboidal subunit of the oxygen‐evolving complex (OEC). The effect of changes in heterometal identity, cluster geometry, and bridging oxo protonation on the spin‐state structure was investigated. In contrast to previous computational models, we show that the spin ground state of CaMn 3 IV O 4 complexes and variants with protonated oxo moieties need not be S =9/2. Desymmetrization of the pseudo ‐ C 3 ‐symmetric Ca(Y)Mn 3 IV O 4 core leads to a lower S =5/2 spin ground state. The magnitude of the magnetic exchange coupling is attenuated upon oxo protonation, and an S =3/2 spin ground state is observed in CaMn 3 IV O 3 (OH). Our studies complement the observation that the interconversion between the low‐spin and high‐spin forms of the S 2 state is pH‐dependent, suggesting that the (de)protonation of bridging or terminal oxygen atoms in the OEC may be connected to spin‐state changes.

Lee, Heui Beom↗
DOE OSTI2020

Identification of a Na + -Binding Site near the Oxygen-Evolving Complex of Spinach Photosystem II

The oxygen-evolving complex (OEC) of photosystem II (PSII) is an oxomanganese cluster composed of four redox-active Mn ions, and one redox-inactive Ca 2+ ion, with two nearby bound Cl – ions. Sodium is a common counter-ion of both chloride and hydroxide anions, and a sodium-specific binding site has not been identified near the OEC. Furthermore, we find that the oxygen-evolution activity of spinach PSII increases with [Na + ], particularly at high pH. A Na + -specific binding site next to the OEC, upon deprotonation of the D1-H337 amino-acid residue, is suggested by the analysis of two recently published PSII cryo-EM maps in combination with quantum mechanical calculations and molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

An evolving view of methane metabolism in the Archaea

Methane is a key compound in the global carbon cycle that influences both nutrient cycling and the Earth’s climate. A limited number of microorganisms control the flux of biologically generated methane, including methane-metabolizing archaea that either produce or consume methane. Methanogenic and methanotrophic archaea belonging to the phylum Euryarchaeota share a genetically similar, interrelated pathway for methane metabolism. The key enzyme in this pathway, the methyl-coenzyme M reductase (Mcr) complex, catalyses the last step in methanogenesis and the first step in methanotrophy. Here, the discovery of mcr and divergent mcr-like genes in new euryarchaeotal lineages and novel archaeal phyla challenges long-held views of the evolutionary origin of this metabolism within the Euryarchaeota. Divergent mcr-like genes have recently been shown to oxidize short-chain alkanes, indicating that these complexes have evolved to metabolize substrates other than methane. In this Review, we examine the diversity, metabolism and evolutionary history of mcr-containing archaea in light of these recent discoveries.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Structures of single-layer {beta}-sheet proteins evolved from {beta}-hairpin repeats

Free-standing single-layer beta-sheets are extremely rare in naturally occurring proteins, even though beta-sheet motifs are ubiquitous. Here we report the crystal structures of three homologous, single-layer, anti-parallel beta-sheet proteins, comprised of three or four twisted beta-hairpin repeats. The structures reveal that, in addition to the hydrogen bond network characteristic of beta-sheets, additional hydrophobic interactions mediated by small clusters of residues adjacent to the turns likely play a significant role in the structural stability and compensate for the lack of a compact hydrophobic core. These structures enabled identification of a family of secreted proteins that are broadly distributed in bacteria from the human gut microbiome and are putatively involved in the metabolism of complex carbohydrates. A conserved surface patch, rich in solvent-exposed tyrosine residues, was identified on the concave surface of the beta-sheet. These new modular single-layer beta-sheet proteins may serve as a new model system for studying folding and design of beta-rich proteins.

beta-hairpin repeats↗
DOE OSTI2019

Evolving R Coronae Borealis stars with mesa

The R Coronae Borealis (RCB) stars are rare hydrogen-deficient, carbon-rich supergiants. They undergo extreme, irregular declines in brightness of many magnitudes due to the formation of thick clouds of carbon dust. It is thought that RCB stars result from the mergers of CO/He white dwarf (WD) binaries. We constructed post-merger spherically symmetric models computed with the mesa code, and then followed the evolution into the region of the Hertzsprung-Russell (H-R) diagram where the RCB stars are located. We also investigated nucleosynthesis in the dynamically accreting material of CO/He WD mergers which may provide a suitable environment for significant production of 18 O and the very low 16 O/ 18 O values observed. We have also discovered that the N abundance depends sensitively on the peak temperature in the He-burning shell. Our mesa modelling consists of engineering the star by adding He-WD material to an initial CO-WD model, and then following the post-merger evolution using a nuclear-reaction network to match the observed RCB abundances as it expands and cools to become an RCB star. These new models are more physical because they include rotation, mixing, mass-loss, and nucleosynthesis within mesa . We follow the later evolution beyond the RCB phase to determine the stars’ likely lifetimes. The relative numbers of known RCB and extreme helium stars correspond well to the lifetimes predicted from the mesa models. In addition, most of computed abundances agree very well with the observed range of abundances for the RCB class.

Astronomy & Astrophysics↗
DOE OSTI2025

Characterizing Hazardous Gases from NMC811 Materials and Coin Cells with TGA and Tube-Furnace FTIR-MS Evolved-Gas-Analysis

Abuse testing is useful for informing the risks of different battery chemistries but has been limited to larger formats. This paper conducted thermal abuse tests at the smaller coin cell level to determine its relevance in specifying vent gas flammability and toxicity. A nitrogen purge carried the evolved gases into a parallel Fourier-transform infrared spectrometer (FTIR) and a mass spectrometer (MS) downstream of the tube furnace. The experimental system was validated by comparing evolved gas data for single components between the tube furnace system and a thermogravimetric analysis (TGA) instrument. Multiple samples were tested during validation, including CaCO3, electrolyte, delithiated NMC 811 cathode, and lithiated graphite anode. Temperature-resolved gas evolution of HF, CO2, CO, H2, and hydrocarbons from isolated components helped to characterize the emission sources. A previously unreported H2 generation mechanism was found. It was shown that the reduced NMC cathode acts as a catalyst to crack polypropylene-decomposed hydrocarbons into H2 at around 450 degrees C. It was also shown, while studying LiPF6 thermal decomposition, that using the tube furnace with a coin cell casing as the sample holder has some advantages for evolved-gas analysis of environmentally sensitive samples relative to testing in TGA instruments. After validation with single components, a fully charged NMC 811 coin cell was failed in the tube furnace. The measured evolved gases were found to be a combination of the species measured from the single component tests. H2 formation related to the reduced cathode was found to have greater abundance than H2 formed from the anode. Hydrogen fluoride emission factors and diethyl carbonate conversion emission factors assist in understanding the gaseous hazards for larger format cells.

25 ENERGY STORAGE↗
DOE OSTI2019

Functional and structural similarities of D7 proteins in the independently-evolved salivary secretions of sand flies and mosquitoes

The habit of blood feeding evolved independently in many insect orders of families. Sand flies and mosquitoes belong to separate lineages of blood-feeding Diptera and are thus considered to have evolved the trait independently. Because of this, sand fly salivary proteins differ structurally from those of mosquitoes, and orthologous groups are nearly impossible to define. An exception is the long-form D7-like proteins that show conservation with their mosquito counterparts of numerous residues associated with the N-terminal domain binding pocket. In mosquitoes, this pocket is responsible for the scavenging of proinflammatory cysteinyl leukotrienes and thromboxanes at the feeding site. Here we show that long-form D7 proteins AGE83092 and ABI15936 from the sand fly species, Phlebotomus papatasi and P . duboscqi , respectively, inhibit the activation of platelets by collagen and the thromboxane A 2 analog U46619. Using isothermal titration calorimetry, we also demonstrate direct binding of U46619 and cysteinyl leukotrienes C 4 , D 4 and E 4 to the P . papatasi protein. The crystal structure of P . duboscqi ABI15936 was determined and found to contain two domains oriented similarly to those of the mosquito proteins. The N-terminal domain contains an apparent eicosanoid binding pocket. The C-terminal domain is smaller in overall size than in the mosquito D7s and is missing some helical elements. Consequently, it does not contain an obvious internal binding pocket for small-molecule ligands that bind to many mosquito D7s. Structural similarities indicate that mosquito and sand fly D7 proteins have evolved from similar progenitors, but phylogenetics and differences in intron/exon structure suggest that they may have acquired the ability to bind vertebrate eicosanoids independently, indicating a convergent evolution scenario.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Comparing the DES-SN5YR and Pantheon+ SN cosmology analyses: investigation based on ‘evolving dark energy or supernovae systematics’?

Recent cosmological analyses measuring distances of type Ia supernovae (SNe Ia) and baryon acoustic oscillations (BAO) have all given similar hints at time-evolving dark energy. To examine whether underestimated SN Ia systematics might be driving these results, Efstathiou (2025) compared overlapping SN events between Pantheon+ and DES-SN5YR (20 per cent SNe are in common), and reported evidence for an $\sim$0.04 mag offset between the low- and high-redshift distance measurements of this subsample of events. If this offset is arbitrarily subtracted from the entire DES-SN5YR sample, the preference for evolving dark energy is reduced. In this paper, we show that this offset is mostly due to different corrections for Malmquist bias between the two samples; therefore, an object-to-object comparison can be misleading. Malmquist bias corrections differ between the two analyses for several reasons. First, DES-SN5YR used an improved model of SN Ia luminosity scatter compared to Pantheon+ but the associated scatter-model uncertainties are included in the error budget. Secondly, improvements in host mass estimates in DES-SN5YR also affected SN standardized magnitudes and their bias corrections. Thirdly, and most importantly, the selection functions of the two compilations are significantly different, hence the inferred Malmquist bias corrections. Even if the original scatter model and host properties from Pantheon+ are used instead, the evidence for evolving dark energy from CMB, DESI BAO Year 1 and DES-SN5YR is only reduced from 3.9$\sigma$ to 3.3$\sigma$, consistent with the error budget. Finally, in this investigation, we identify an underestimated systematic uncertainty related to host galaxy property uncertainties, which could increase the final DES-SN5YR error budget by 3 per cent. In conclusion, we confirm the validity of the published DES-SN5YR results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Foaming during Nuclear Waste Melter Feeds Conversion to Glass: Application of Evolved Gas Analysis

During the final stages of batch-to-glass conversion in a waste-glass melter, gases evolving in the cold cap produce primary foam, the formation and collapse of which control the glass production rate via its effect on heat transfer to the reacting batch. We performed quantitative evolved gas analysis (EGA) for several HLW melter feeds with temperatures ranging from 100 °C to 1150 °C, the whole temperature span in a cold cap. EGA results were supplemented with visual observation of batch-to-glass transition using the feed expansion tests. Upon heating, most of the gases—mainly H2O, CO2, NO, NO2, N2 and O2—evolve at temperatures below 700 °C and escape directly to the atmosphere through open porosity. However, as open porosity closes when enough glass-forming melt appears at 720 °C, the residual gas evolution leads to the formation of primary foam. We found that primary foaming is mostly caused by the decomposition of residual carbonates, though oxygen evolution from iron-redox reaction can also play a role. We also show that the gas evolution shifts to a higher temperature when the heating rate increases. The implications for the mathematical modeling of foam layer in the cold cap are presented.

Hujova, Miroslava↗