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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Permafrost Carbon: Progress on Understanding Stocks and Fluxes Across Northern Terrestrial Ecosystems

Significant progress in permafrost carbon science made over the past decades include the identification of vast permafrost carbon stocks, the development of new pan-Arctic permafrost maps, an increase in terrestrial measurement sites for CO 2 and methane fluxes, and important factors affecting carbon cycling, including vegetation changes, periods of soil freezing and thawing, wildfire, and other disturbance events. Process-based modeling studies now include key elements of permafrost carbon cycling and advances in statistical modeling and inverse modeling enhance understanding of permafrost region C budgets. By combining existing data syntheses and model outputs, the permafrost region is likely a wetland methane source and small terrestrial ecosystem CO 2 sink with lower net CO 2 uptake toward higher latitudes, excluding wildfire emissions. For 2002–2014, the strongest CO2 sink was located in western Canada (median: -52 g C m -2 y -1 ) and smallest sinks in Alaska, Canadian tundra, and Siberian tundra (medians: -5 to -9 g C m -2 y -1 ). Eurasian regions had the largest median wetland methane fluxes (16–18 g CH4 m -2 y -1 ). Quantifying the regional scale carbon balance remains challenging because of high spatial and temporal variability and relatively low density of observations. More accurate permafrost region carbon fluxes require: (a) the development of better maps characterizing wetlands and dynamics of vegetation and disturbances, including abrupt permafrost thaw; (b) the establishment of new year-round CO 2 and methane flux sites in underrepresented areas; and (c) improved models that better represent important permafrost carbon cycle dynamics, including non-growing season emissions and disturbance effects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Evaluating Cloud Properties at Scott Base: Comparing Ceilometer Observations With ERA5, JRA55, and MERRA2 Reanalyses Using an Instrument Simulator

This study compares CL51 ceilometer observations made at Scott Base, Antarctica, with statistics from the ERA5, JRA55, and MERRA2 reanalyses. To enhance the comparison we use a lidar instrument simulator to derive cloud statistics from the reanalyses which account for instrumental factors. The cloud occurrence in the three reanalyses is slightly overestimated above 3 km, but displays a larger underestimation below 3 km relative to observations. Unlike previous studies, we see no relationship between relative humidity and cloud occurrence biases, suggesting that the cloud biases do not result from the representation of moisture. We also show that the seasonal variation of cloud occurrence and cloud fraction, defined as the vertically integrated cloud occurrence, are small in both the observations and the reanalyses. We also examine the quality of the cloud representation for a set of weather states derived from ERA5 surface winds. The variability associated with grouping cloud occurrence based on weather state is much larger than the seasonal variation, highlighting weather state is a strong control of cloud occurrence. All the reanalyses continue to display underestimates below 3 km and overestimates above 3 km for each weather state. But the variability in ERA5 statistics matches the changes in the observations better than the other reanalyses. We also use a machine learning scheme to estimate the quantity of supercooled liquid water cloud from the ceilometer observations. Ceilometer low-level supercooled liquid water cloud occurrences are considerably larger than values derived from the reanalyses, further highlighting the poor representation of low-level clouds in the reanalyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Colloidal CdSe nanocrystals are inherently defective

Abstract Colloidal CdSe nanocrystals (NCs) have shown promise in applications ranging from LED displays to medical imaging. Their unique photophysics depend sensitively on the presence or absence of surface defects. Using simulations, we show that CdSe NCs are inherently defective; even for stoichiometric NCs with perfect ligand passivation and no vacancies or defects, we still observe that the low energy spectrum is dominated by dark, surface-associated excitations, which are more numerous in larger NCs. Surface structure analysis shows that the majority of these states involve holes that are localized on two-coordinate Se atoms. As chalcogenide atoms are not passivated by any Lewis base ligand, varying the ligand should not dramatically change the number of dark states, which we confirm by simulating three passivation schemes. Our results have significant implications for understanding CdSe NC photophysics, and suggest that photochemistry and short-range photoinduced charge transfer should be much more facile than previously anticipated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Isolation and electronic structures of derivatized manganocene, ferrocene and cobaltocene anions

The discovery of ferrocene nearly 70 years ago marked the genesis of metallocene chemistry. Although the ferrocenium cation was discovered soon afterwards, a derivatized ferrocenium dication was only isolated in 2016 and the monoanion of ferrocene has only been observed in low-temperature electrochemical studies. Here we report the isolation of a derivatized ferrocene anion in the solid state as part of an isostructural family of 3d metallocenates, which consist of anionic complexes of a metal centre (manganese, iron or cobalt) sandwiched between two bulky Cp ttt ligands (where Cp ttt is {1,2,4-C 5 H 2 t Bu 3 }). These thermally and air-sensitive complexes decompose rapidly above –30 °C; however, we were able to characterize all metallocenates by a wide range of physical techniques and ab initio calculations. These data have allowed us to map the electronic structures of this metallocenate family, including an unexpected high-spin S = 3/2 ground state for the 19e– derivatized ferrocene anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The study of the journey of cosmic antimatter

A potential observation of low-energy antihelium-3 nuclei would have profound impacts on our understanding of the Galaxy. Here, experiments at particle colliders help us understand how cosmic antimatter travels over long distances before reaching Earth.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Depolymerization of lignin for biological conversion through sulfonation and a chelator-mediated Fenton reaction

The generating value from lignin through depolymerization and biological conversion to valuable fuels, chemicals, or intermediates has great promise but is limited by several factors including lack of cost-effective depolymerization methods, toxicity within the breakdown products, and low bioconversion of the breakdown products. High yield depolymerization of natural lignins requires cleaving carbon-carbon bonds in addition to ether bonds. To address that need, we report that a chelator-mediated Fenton reaction can efficiently cleave C-C bonds in sulfonated polymers at or near room temperature, and that unwanted repolymerization can be minimized through optimizing reaction conditions. This method was used to depolymerize lignosulfonate from M w = 28,000 g/mol to M w = 800 g/mol. The breakdown products were characterized by SEC, FTIR and NMR and evaluated for bioavailability. The breakdown products are rich in acid, aldehyde, and alcohol functionalities but are largely devoid of aromatics and aliphatic dienes. A panel of nine organisms were tested for the ability to grow on the breakdown products. Growth at a low level was observed for several monocultures on the depolymerized LS in absence of glucose. Much stronger growth was observed in the presence of 0.2% glucose and for one organism we demonstrate doubling of melanin production in the presence of depolymerized LS. The results suggest that this chelator-mediated Fenton method is a promising new approach for biological conversion of lignin into higher value chemicals or intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Generalizable, tunable control of divalent cation solvation structure via mixed anion contact ion pair formation

Multivalent batteries are a promising new technology for energy storage, but they face challenges to developing suitable electrolytes that can support reversible deposition/dissolution at the metal anode and enable compatibility with high voltage oxide cathode materials. Here, in this work, we investigate the solvation behavior of Zn 2+ , Mg 2+ , Ca 2+ and Cu 2+ in mixed anion electrolytes containing TFSI - and Cl - . Raman and nuclear magnetic resonance spectroscopies are utilized to probe the bulk solvation structure of these electrolytes and demonstrate that mixed anion contact ion pairs (CIPs) are formed in all four systems, indicating this behavior is likely general to divalent cations. Furthermore, the relative population of mixed anion CIPs can be tuned by controlling the relative ratio of TFSI : Cl, with significant CIP populations observed even at low relative fractions of Cl - . These findings imply that modifying the anion chemistry can easily adjust the solvation structure of bulk cations, which has important implications for the development of next-generation electrolytes. By understanding the factors that influence the formation of mixed anion CIPs, we can design systems that promote the formation of electrochemically-active solvation structures that can enable multivalent batteries with improved performance and lifetimes.

25 ENERGY STORAGE↗
DOE OSTI2023

The MeerKAT Fornax Survey: II. The rapid removal of H I from dwarf galaxies in the Fornax cluster

We present MeerKAT Fornax Survey atomic hydrogen (H I) observations of the dwarf galaxies located in the central ~2.5 × 4 deg 2 of the Fornax galaxy cluster (R vir ~2°). The H I images presented in this work have a 3σ column density sensitivity between 2.7 and 50 × 10 18 cm –2 over 25 km s –1 for spatial resolution between 4 and 1 kpc. We are able to detect an impressive M HI = 5 × 10 5 M ⊙ 3σ point source with a line width of 50 km s –1 at a distance of 20 Mpc. We detected H I in 17 out of the 304 dwarfs in our field, with 14 out of the 36 late-type dwarfs (LTDs) and three out of the 268 early-type dwarfs (ETDs). The H I-detected LTDs have likely just joined the cluster and are on their first infall as they are located at large clustocentric radii, with comparable MHI and mean stellar surface brightness at fixed luminosity as blue, star-forming LTDs in the field. By contrast, the H I-detected ETDs have likely been in the cluster longer than the LTDs and acquired their H I through a recent merger or accretion from nearby H I. Eight of the H I-detected LTDs host irregular or asymmetric H I emission and disturbed or lopsided stellar emission. There are two clear cases of ram pressure shaping the H I, with the LTDs displaying compressed H I on the side closest to the cluster centre and a one-sided, starless tail pointing away from the cluster centre. The H I-detected dwarfs avoid the most massive potentials (i.e. cluster centre and massive galaxies), consistent with massive galaxies playing an active role in the removal of H I. We created a simple toy model to quantify the timescale of H I stripping in the cluster by reproducing the observed M r' –M HI relation. We find that a M HI = 10 8 M ⊙ dwarf is stripped in ~240 Myr. The model is consistent with our observations, where low-mass LTDs are directly stripped of their H I from a single encounter and more massive LTDs can harbour a disturbed H I morphology due to longer times or multiple encounters being required to fully strip their H I. This is the first time dwarf galaxies with M HI ≲ 1 × 10 6 M ⊙ have been detected and resolved beyond the local group and in a galaxy cluster.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Catalytic C 2 H 2 synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS 2 and 2D-MoS 2 decorated with Mo clusters

Rational design of novel catalytic materials used to synthesize storable fuels via the CO hydrogenation reaction has recently received considerable attention. In this work, defect poor and defect rich 2D-MoS 2 as well as 2D-MoS 2 decorated with Mo clusters are employed as catalysts for the generation of acetylene (C 2 H 2 ) via the CO hydrogenation reaction. Temperature programmed desorption is used to study the interaction of CO and H2 molecules with the MoS 2 surface as well as the formation of reaction products. The experiments indicate the presence of four CO adsorption sites below room temperature and a competitive adsorption between the CO and H 2 molecules. The investigations show that CO hydrogenation is not possible on defect poor MoS 2 at low temperatures. However, on defect rich 2D-MoS 2 , small amounts of C 2 H 2 are produced, which desorb from the surface at temperatures between 170 K and 250 K. A similar C 2 H 2 signal is detected from defect poor 2D-MoS 2 decorated with Mo clusters, which indicates that low coordinated Mo atoms on 2D-MoS 2 are responsible for the formation of C 2 H 2 . Density functional theory investigations are performed to explore possible adsorption sites of CO and understand the formation mechanism of C 2 H 2 on MoS 2 and Mo 7 /MoS 2 . The theoretical investigation indicates a strong binding of C 2 H 2 on the Mo sites of MoS 2 preventing the direct desorption of C 2 H 2 at low temperatures as observed experimentally. Instead, the theoretical results suggest that the experimental data are consistent with a mechanism in which CHO radical dimers lead to the formation of C 2 H 2 that presents an exothermic desorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Pyrochlore-type lanthanide titanates and zirconates: Synthesis, structural peculiarities, and properties

This contribution provides a thorough examination of the structural characteristics of pyrochlore-type lanthanide titanates and zirconates Ln2Ti2O7 and Ln2Zr2O7, across various length scales. This paper also examines their processing, interesting physical properties (electrical, magnetic, and thermal characteristics), and responses to high pressure and ion irradiation. Brief sections on the elemental oxides' crystal chemistry, pertinent phase diagrams, and energetics of defect formation are also provided. Pyrochlore-type Ln2Ti2O7 and Ln2Zr2O7 stand out as truly multifunctional materials. Moreover, they have emerged as fascinating materials due to magnetic geometrical frustration, arising from the ordering of magnetic Ln3+ and non-magnetic Ti4+ (or Zr4+) cations into separate, interpenetrating lattices of corner-sharing tetrahedra. This results in a diverse array of exotic magnetic ground states, such as spin-ice (e.g., Dy2Ti2O7 or Ho2Ti2O7) or quantum spin ice (e.g., Tb2Ti2O7), observed at both low and room temperatures. They also exhibit varied electrical and electrochemical characteristics. Some members such as Gd2Zr2O7, function as fast ion conductors with a conductivity (σ) of ≈10−2 S·cm−1 at 800 °C and activation energy (Ea) ranging from 0.85 to 1.52 eV, depending on the degree of structural disorder. Others, such as Gd2TiMoO7, are mixed ionic-electronic conductors with σ ≈ 25 S·cm−1 at 1000 °C, making them promising candidate materials for applications in energy conversion and storage devices and oxygen separation membranes. Their exceptionally low thermal conductivity (e.g., κ ∼ 1.1–1.7 W·m−1·K−1 between 700 and 1200 °C for Ln2Zr2O7), close to the glass-like lower limit of highly disordered solids, positions them as valuable materials for thermal barrier coatings. They can also effectively accommodate actinides (e.g., Pu, Np, Cm, Am) in solid solutions and sustain prolonged exposure to radiation due to alpha-decay events, while preserving the integrity of the periodic atomic structure. Proposed as major components in actinide-bearing ceramics, they contribute to the long-term immobilization and disposal of long-lived waste radionuclides from nuclear programs. Some of these properties are displayed simultaneously, opening avenues for new applications. Despite the wealth of data available in the literature, this review highlights the need for a better understanding of order/disorder processes in pyrochlore-type materials and the influence of the structural length scale on their physical and chemical properties. Recent experimental evidence has revealed that pyrochlore short-range structure is far more complex than originally thought. Moreover, pyrochlore local structure is now believed to include short-range, lower symmetry, ordered domains, such as the orthorhombic weberite-type of structure. Notably, short- and long-range structures appear decoupled across different length scales and temperature regimes, and these differences persist even in well-ordered samples. We believe that the pyrochlore structure offers a unique opportunity for examining the interplay between chemical composition, defect chemistry, and properties. In Memoriam: Rodney C. Ewing, Fondly Remembered.

Physics↗
DOE OSTI2022

Coalescence, the thermal model and multi-fragmentation: the energy and volume dependence of light nuclei production in heavy ion collisions

Here, we present results of a phase space coalescence approach within the UrQMD transport and -hybrid model for a very wide range of beam energies from SIS to LHC. The coalescence model is able to qualitatively describe the whole range of experimental data with a fixed set of parameters. Some systematic deviations are observed for very low beam energies where the role of feed down from heavier nuclei and multi-fragmentation becomes relevant. The coalescence results are mostly very close to the thermal model fits. However, both the coalescence approach as well as thermal fits are struggling to simultaneously describe the triton multiplicities measured with the STAR and ALICE experiment. The double ratio of tp/d 2 , in the coalescence approach, is found to be essentially energy and centrality independent for collisions of heavy nuclei at beam energies of E lab > 10A GeV. On the other hand the clear scaling of the d/p 2 and t/p 3 ratios with the systems volume is broken for peripheral collisions, where a canonical treatment and finite size effects become more important.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Turbulence statistical analysis of the L-H transition and RMPs in KSTAR

Here, we investigate the turbulence statistics associated with low-to-high confinement (L-H) transitions and externally applied resonant magnetic perturbations (RMPs) in KSTAR. Time-series fluctuations of electron density n e , electron temperature T e , and the time derivative of the poloidal magnetic field dB θ /dt (Mirnov coils) are analysed using information-geometric measures (information rate Γ and information length $\mathcal{L}$ = ∫ Γ dt), together with kurtosis κ and variance σ 2 . In low-density upper single-null plasmas (n e ~ 1.2 x 10 19 m -3 ), a ~80 kHz magnetic mode coupling n e , T e , dB θ /dt and emerges prior to the L-H transition and persists into the edge-localised modes H-mode. Edge-localised RMPs (ERMPs) suppress this coherent mode but enhance intermittency, producing frequent bursts that abruptly reshape the time-dependent probability density functions (PDFs) and generate large spikes in Γ (with smaller changes in κ), signalling ERMP-driven departures from quasi-stationarity. The impact of ERMPs on background fluctuation levels depends on density, radial location, and the fluctuating variable itself ($\tilde{n}$, $\tilde{T}$, $\dot{B}$ θ ), whereas $\mathcal{L}$ provides a robust, regime-agnostic measure of cumulative statistical reorganisation and spatial decorrelation. In particular, at low density we observe weaker coupling between $\tilde{n}$ and $\tilde{T}$, along with a tendency toward decreased radial correlation-most clearly for $\tilde{T}$-under ERMPs. Overall, information geometry cleanly captures intermittent events, quantifies non-equilibrium PDF evolution, and offers a compact, cross-diagnostic metric for assessing resonant magnetic perturbation effects on edge transport and correlation across densities, radial locations, and confinement states.

Kim, Eun-jin [Coventry Univ. (United Kingdom); Seo↗
DOE OSTI2022

Nonequilibrium plasma in water vapor

A kinetic model of a non-equilibrium water vapor plasma created by a nanosecond pulsed discharge at elevated temperatures and at low pressure is presented. The model includes equations for electron, vibrational and gas temperatures combined with equations for neutral, charged, electronically and vibrationally excited species. Simulation results are compared with the available experimental data and show good agreement in dynamics of the plasma decay and electron drift velocities. It is shown that the plasma decay in pure water vapor is controlled by the dissociative recombination. Under the conditions simulated, the concentration of electronically excited species is low, but we observe a formation of vibrationally excited species. Finally, a significant decrease in the electrical conductivity of water plasma with time, which depends on the level of initial ionization, is shown.

42 ENGINEERING↗
DOE OSTI2025

Can local white dwarfs constrain dark matter interactions?

We investigate whether nearby white dwarfs (WDs) can constrain dark matter (DM) interactions with ordinary matter. As experimental sensitivity improves, driven by the Gaia mission, the sample volume of nearby WDs has been increasing over recent years. We carefully select a sample of ten cold, isolated, non-magnetic WDs within 13 pc of the Sun. We model their carbon-oxygen interior using a finite temperature relativistic equation of state and model atmospheres to infer their core temperatures. This enables us to perform a thorough estimation of the DM capture rate and evaporation mass using actual astrophysical observations. Given the low local DM density, we focus on DM that annihilates into long-lived mediators, which escape the WD and later decay into photons. While Fermi-LAT data shows no significant gamma-ray excess, future telescopes, CTA North & South, LHAASO, SWGO, could probe DM-nucleon cross sections down to ∼ 10 -41 cm 2 for DM masses above the TeV scale. Our results are competitive with current direct detection bounds (e.g., LZ) in the multi-TeV regime. This work underscores the importance of systematic WD studies in the broader landscape of DM detection and demonstrates the synergy between astrophysical and terrestrial searches in exploring DM interactions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Performance of the ATLAS forward proton Time-of-Flight detector in Run 2

We present performance studies of the Time-of-Flight (ToF) subdetector of the ATLAS Forward Proton (AFP) detector at the LHC. Efficiencies and resolutions are measured using high-statistics data samples collected at low and moderate pile-up in 2017, the first year when the detectors were installed on both sides of the interaction region. While low efficiencies are observed, of the order of a few percent, the resolutions of the two ToF detectors measured individually are 21 ps and 28 ps, yielding an expected resolution of the longitudinal position of the interaction, z vtx , in the central ATLAS detector of 5.3 ± 0.6 mm. This is in agreement with the observed width of the distribution of the difference between z vtx , measured independently by the central ATLAS tracker and by the ToF detector, of 6.0 ± 2.0 mm.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Tunable momentum pair creation of spin excitations in dipolar bilayers

Here we study the temporal growth and spatial propagation of quantum correlations in a two-dimensional bilayer realizing a spin-1/2 quantum XXZ model with couplings mediated by long-range and anisotropic dipolar interactions. Starting with an initial state consisting of spins with opposite magnetization in each of the layers, we predict a dynamic instability that results, at short times, in the creation of correlated pairs of excitations at specific momenta at exponentially fast rates and entanglement between spatially separated modes. The momentum structure of the created pairs can be controlled via the dipolar orientation, the layer separation, or the dipolar couplings. The predicted behavior remains observable at very low filling fractions, making it accessible in state-of-the-art experiments with Rydberg atoms, magnetic atoms, and polar molecule arrays.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Memristive Effects in Nanopatterned Permalloy Kagomé Array

Here, we study memristive effects in kagomé nanopatterned permalloy. We observe that at low frequencies a thermistor effect is present, a phenomenon arising due to the lithography and absent in similar experiments for thin films. However, we also show via an independent anisotropic magnetoresistive study that a small hysteresis accounting for 1% of the effect is not attributable to a thermistive effect. Such an effect is also confirmed by a careful subtraction scheme between nearby thermal hysteresis. In the millihertz regime, an effective model is provided to describe the experimental results for the thermistor, showing that there should be a crossover from the millihertz to the gigahertz, from a thermistor to a memristive effect for nanopatterned permalloy.

36 MATERIALS SCIENCE↗