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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity

Constructing single atom catalysts with fine-tuned coordination environments can be a promising strategy to achieve satisfactory catalytic performance. Herein, via a simple calcination temperature-control strategy, CeO 2 supported Pt single atom catalysts with precisely controlled coordination environments are successfully fabricated. The joint experimental and theoretical analysis reveals that the Pt single atoms on Pt 1 /CeO 2 prepared at 550 °C (Pt/CeO 2 -550) are mainly located at the edge sites of CeO 2 with a Pt–O coordination number of ca. 5, while those prepared at 800 °C (Pt/CeO 2 -800) are predominantly located at distorted Ce substitution sites on CeO 2 terrace with a Pt–O coordination number of ca. 4. Pt/CeO 2 -550 and Pt/CeO 2 -800 with different Pt 1 -CeO 2 coordination environments exhibit a reversal of activity trend in CO oxidation and NH 3 oxidation due to their different privileges in reactants activation and H 2 O desorption, suggesting that the catalytic performance of Pt single atom catalysts in different target reactions can be maximized by optimizing their local coordination structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Experimental evidence of plasmarons and effective fine structure constant in electron-doped graphene/h-BN heterostructure

Electron-electron interaction is fundamental in condensed matter physics and can lead to composite quasiparticles called plasmarons, which strongly renormalize the dispersion and carry information of electron-electron coupling strength as defined by the effective fine structure constant $α$ $^{*}_{ee}$. Although h-BN with unique dielectric properties has been widely used as an important substrate for graphene, so far there is no experimental report of plasmarons in graphene/h-BN yet. Here, we report direct experimental observation of plasmaron dispersion in graphene/h-BN heterostructures through angle-resolved photoemission spectroscopy (ARPES) measurements upon in situ electron doping. Characteristic diamond-shaped dispersion is observed near the Dirac cone in both 0° (aligned) and 13.5° (twisted) graphene/h-BN, and the electron-electron interaction strength $α$ $^{*}_{ee}$ is extracted to be $α$ $^{*}_{ee}$ ≈ 0.9 ± 0.1, highlighting the important role of electron-electron interaction. Our results suggest graphene/h-BN as an ideal platform for investigating strong electron-electron interaction with weak dielectric screening, and lays fundamental physics for gate-tunable nano-electronics and nano-plasmonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Fine-scale contemporary recombination variation and its fitness consequences in adaptively diverging stickleback fish

Despite deep evolutionary conservation, recombination rates vary greatly across the genome and among individuals, sexes and populations. Yet the impact of this variation on adaptively diverging populations is not well understood. Here we characterized fine-scale recombination landscapes in an adaptively divergent pair of marine and freshwater populations of threespine stickleback from River Tyne, Scotland. Through whole-genome sequencing of large nuclear families, we identified the genomic locations of almost 50,000 crossovers and built recombination maps for marine, freshwater and hybrid individuals at a resolution of 3.8 kb. We used these maps to quantify the factors driving variation in recombination rates. We found strong heterochiasmy between sexes but also differences in recombination rates among ecotypes. Hybrids showed evidence of significant recombination suppression in overall map length and in individual loci. Recombination rates were lower not only within individual marine–freshwater-adaptive loci, but also between loci on the same chromosome, suggesting selection on linked gene ‘cassettes’. Through temporal sampling along a natural hybrid zone, we found that recombinants showed traits associated with reduced fitness. Our results support predictions that divergence in cis-acting recombination modifiers, whose functions are disrupted in hybrids, may play an important role in maintaining differences among adaptively diverging populations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Arctic warming by abundant fine sea salt aerosols from blowing snow

Abstract The Arctic warms nearly four times faster than the global average, and aerosols play an increasingly important role in Arctic climate change. In the Arctic, sea salt is a major aerosol component in terms of mass concentration during winter and spring. However, the mechanisms of sea salt aerosol production remain unclear. Sea salt aerosols are typically thought to be relatively large in size but low in number concentration, implying that their influence on cloud condensation nuclei population and cloud properties is generally minor. Here we present observational evidence of abundant sea salt aerosol production from blowing snow in the central Arctic. Blowing snow was observed more than 20% of the time from November to April. The sublimation of blowing snow generates high concentrations of fine-mode sea salt aerosol (diameter below 300 nm), enhancing cloud condensation nuclei concentrations up to tenfold above background levels. Using a global chemical transport model, we estimate that from November to April north of 70° N, sea salt aerosol produced from blowing snow accounts for about 27.6% of the total particle number, and the sea salt aerosol increases the longwave emissivity of clouds, leading to a calculated surface warming of +2.30 W m −2 under cloudy sky conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Fine root and soil carbon stocks are positively related in grasslands but not in forests

Increasing fine root carbon (FRC) inputs into soils has been proposed as a solution to increasing soil organic carbon (SOC). However, FRC inputs can also enhance SOC loss through priming. Here, we tested the broad-scale relationships between SOC and FRC at 43 sites across the US National Ecological Observatory Network. We found that SOC and FRC stocks were positively related with an across-ecosystem slope of 7 ± 3 kg SOC m −2 per kg FRC m −2 , but this relationship was driven by grasslands. Grasslands had double the across-ecosystem slope while forest FRC and SOC were unrelated. Furthermore, deep grassland soils primarily showed net SOC accrual relative to FRC input. Conversely, forests had high variability in whether FRC inputs were related to net SOC priming or accrual. We conclude that while FRC increases could lead to increased SOC in grasslands, especially at depth, the FRC-SOC relationship remains difficult to characterize in forests.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Revisiting the K-edge X-ray absorption fine structure of Si, Ge–Si alloys, and the isoelectronic series: CuBr, ZnSe, GaAs, and Ge

Extended X-ray absorption fine structure (EXAFS) has evolved into an unprecedented local-structure technique that is routinely used to study materials’ problems in the biological, chemical, and physical sciences. Like many other experimental techniques, EXAFS also requires that several key atomic parameters must be known a priori before structural information can be quantitatively determined. Utilizing current analytical methods, we revisit the isoelectronic series CuBr, ZnSe, GaAs, and Ge originally studied by Stern et al. during the early development of EXAFS. We demonstrate that the ab initio EXAFS code FEFF accurately predicts the atomic phase shifts and backscattering amplitudes that are primarily functions of the sum of atomic numbers Z along an EXAFS scattering path. We also investigate quantitative fitting and first- and second-shell phase transferability together with problems that arise if a backscattering atom is identified incorrectly in an EXAFS fitting model. Features in the near-edge region, on the other hand, are shown to require a comprehensive treatment of the band structure and density-of-states, including effects of the screened Coulomb interaction between the photoelectron and core hole. Here, we demonstrate that the Bethe–Salpeter equation (BSE) accurately captures the NEXAFS (or XANES) portion of the spectrum for the isoelectronic series in addition to Si and Ge–Si alloys, including within a few eV of the absorption edge, where band structure and excitonic effects are most important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Gaunt and Breit two-electron contributions to mean-field transformations and fine structure splitting

Materials utilized by novel energy systems are often studied using weakly correlated mean-field theories. However, if these systems incorporate heavy elements, relativistic effects must be included. Therefore, a Kramers unrestricted coupled cluster with singles and doubles excitation formalism within a molecular mean-field exact two-component framework (X2C mmf ) using a four-component Dirac–Hartree–Fock (DHF) reference state is presented. The exact X2C mmf transformed normal-order Hamiltonian incorporates all one-electron and two-electron (2e) contributions from the Coulomb, Gaunt, and Breit operators and is used with the equation of motion method to calculate the excitation energies of the alkali group of elements. Using this framework, the effects of 2e Gaunt and Breit integrals are studied. Results demonstrate growing contributions from these integrals to the generated X2C mmf mean-fields and electronic fine structure calculations with increasing atomic number. Overall, this paper outlines the method, its effect within the X2C mmf approach, and lays the foundation for future theoretical development of relativistic calculations within this framework.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Fine structure of current noise spectra in nanoelectromechanical resonators

Here, we study the frequency-dependent noise of a suspended carbon nanotube quantum dot nanoelectromechanical resonator induced by electron-vibration coupling. Using a rigorous Keldysh diagrammatic technique, we establish a formal framework connecting the vibrational properties to electrical measurements. We find that the noise power spectrum exhibits a narrow resonant peak at the frequency of the vibrational modes. However, this fine structure tends to disappear due to a coherent cancellation effect when the tunneling barriers are tuned to a symmetric point. Notably, measuring the electrical current noise spectra provides a sensitive alternative method for detecting the damping and dephasing of quantum vibrational modes.

Electric measurements↗
DOE OSTI2020

Single-pulse (100 ps) extended x-ray absorption fine structure capability at the Dynamic Compression Sector

Determining real-time changes in the local atomistic order is important for a mechanistic understanding of shock wave induced structural and chemical changes. However, the single event and short duration (nanosecond times) nature of shock experiments pose challenges in obtaining Extended X-ray Absorption Fine Structure (EXAFS) measurements - typically used for monitoring local order changes. Here, we report on a new single pulse (~100 ps duration) transmission geometry EXAFS capability for use in laser shock-compression experiments at the Dynamic Compression Sector (DCS), Advanced Photon Source. We used a flat plate of highly oriented pyrolytic graphite (HOPG) as the spectrometer element to energy disperse x-rays transmitted through the sample. It provided high efficiency with approximately 15% of the x-rays incident on the HOPG reaching an x-ray area detector with high quantum efficiency. This combination resulted in good signal-to-noise ratio (~10 3 ), energy resolution of ~10 eV at 10 keV, EXAFS spectra covering 100s of eV, and good pulse to pulse reproducibility of our single pulse measurements. Ambient EXAFS spectra for Cu and Au are compared to reference spectra, validating our measurement system. Comparison of single pulse EXAFS results for ambient and laser shocked Ge(100) shows large changes to the local structure of the short lived state of shocked Ge. The current DCS EXAFS capability can be used to perform single pulse measurements in laser shocked materials from approximately 9-13 keV. These EXAFS developments will be available to all users of the DCS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Comparing plasma conditions in short-pulse-heated foils via fine-structure x-ray emission

Fine-structure x-ray spectra have been measured from foils with embedded tracer layers at two laser facilities. In this work, a suite of layered foils with thin Ti tracers under varied tamper layers was studied at both the Titan and the ALEPH 400 nm laser facilities, where Ti Heα emission was recorded using a high-resolution Bragg crystal spectrometer. Several indicators of plasma parameters are examined in the spectra, including temperature- and density-dependent line ratios and line broadening from Stark and opacity effects. Spectra indicate that (1) the plasma density at ALEPH is significantly higher than at Titan and (2) the electron temperature is high for near-surface layers at both facilities but drops more quickly with depth at ALEPH. These inferences of plasma conditions are consistent with differing levels of temporal contrast at each laser facility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Fully quantum calculations of O 2 –N 2 scattering using a new potential energy surface: Collisional perturbations of the oxygen 118 GHz fine structure line

A proper description of the collisional perturbation of the shapes of molecular resonances is important for remote spectroscopic studies of the terrestrial atmosphere. Of particular relevance are the collisions between the $\text{O}_2$ and $\text{N}_2$ molecules—the two most abundant atmospheric species. In this work, we report a new highly accurate $\text{O}_2(\text{X}^3Σ^–_g)–\text{N}_2(\text{X}^1Σ^+_g)$ potential energy surface and use it for performing the first quantum scattering calculations addressing line shapes for this system. We use it to model the shape of the 118 GHz fine structure line in $\text{O}_2$ perturbed by collisions with $\text{N}_2$ molecules, a benchmark system for testing our methodology in the case of an active molecule in a spin triplet state. The calculated collisional broadening of the line agrees well with the available experimental data over a wide temperature range relevant for the terrestrial atmosphere. This work constitutes a step toward populating the spectroscopic databases with ab initio line shape parameters for atmospherically relevant systems.

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

Emission phases of implosion sources for x-ray absorption fine structure spectroscopy

At the Laboratory for Laser Energetics' Omega Laser Facility, thin plastic shells were directly driven with ∼20 kJ resulting in a time-integrated x-ray yield of ∼1012 ph/eV/sr at 7 keV. Using temporally, spatially, and spectrally discriminating diagnostics, three x-ray emission phases were identified: corona emission produced by the laser ablation of the shell, core stagnation, and afterglow emission due to the expanding hot material after stagnation. The newly measured corona and afterglow emission phases account for ∼25% of the total x-ray signal and produce x-ray emission at a different time or larger radius than previously considered. The resulting implications of this additional emission for x-ray absorption fine structure spectroscopy are discussed. Finally, improvements to the laser drive intensity and uniformity produced a factor-of-2 increase in total x-ray emission while decreasing the size of the stagnated core.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Short-range order and longer-range disorder revealed in germanium–tin alloy thin films by extended x-ray absorption fine structure analysis

Short-range order (SRO) in semiconductor alloys, a relatively under-studied structural phenomenon in which local atomic arrangements differ from those of a random solid solution, is investigated in molecular beam epitaxy (MBE)-grown GeSn thin films. A novel preparation technique is used to pattern these films into microscale ribbons that are released from the substrate for extended x-ray absorption fine structure (EXAFS) analysis. The results indicate a strong SRO in which the first shell around Sn atoms is greatly denuded of Sn atoms relative to the nominal atomic composition of the alloy. This effect is more pronounced than that observed recently in GeSn nanowires grown by chemical vapor deposition. Additionally, the presence of a longer-range disorder detected by EXAFS analysis in the shells of atoms more distant from the absorbers is indicative of the defects and inhomogeneous strain present in the MBE-grown films. The evident existence of the SRO in GeSn alloys deposited by different growth methods and in different strain states suggests that SRO is a general phenomenon in the thin films of this metastable solid solution.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Chloroplast lipid biosynthesis is fine-tuned to thylakoid membrane remodeling during light acclimation

Abstract Reprogramming metabolism, in addition to modifying the structure and function of the photosynthetic machinery, is crucial for plant acclimation to changing light conditions. One of the key acclimatory responses involves reorganization of the photosynthetic membrane system including changes in thylakoid stacking. Glycerolipids are the main structural component of thylakoids and their synthesis involves two main pathways localized in the plastid and the endoplasmic reticulum (ER); however, the role of lipid metabolism in light acclimation remains poorly understood. We found that fatty acid synthesis, membrane lipid content, the plastid lipid biosynthetic pathway activity, and the degree of thylakoid stacking were significantly higher in plants grown under low light compared with plants grown under normal light. Plants grown under high light, on the other hand, showed a lower rate of fatty acid synthesis, a higher fatty acid flux through the ER pathway, higher triacylglycerol content, and thylakoid membrane unstacking. We additionally demonstrated that changes in rates of fatty acid synthesis under different growth light conditions are due to post-translational regulation of the plastidic acetyl-CoA carboxylase activity. Furthermore, Arabidopsis mutants defective in one of the two glycerolipid biosynthetic pathways displayed altered growth patterns and a severely reduced ability to remodel thylakoid architecture, particularly under high light. Overall, this study reveals how plants fine-tune fatty acid and glycerolipid biosynthesis to cellular metabolic needs in response to long-term changes in light conditions, highlighting the importance of lipid metabolism in light acclimation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Uniaxial tensile mechanical properties from a scratch on ultra-fine grained tungsten

We demonstrate that surface-based mechanical testing can be used to quantify a wide range of mechanical properties determined using traditional uniaxial tension experiments. These include mapping of dynamic stress–strain behaviour, which can be used as a screening tool for uniaxial tensile ductility (uniform elongation), fracture toughness (K C ), which is shown to be in good agreement with reported plane-strain K IC , as well work-hardening exponents (n), activation volumes (V) energies (Q) and strain-rate sensitivity (m) exponents as a function of temperature. Advantages of the surface-based approach are the ability to work with significantly smaller volumes and accommodate processing defects like pores, voids and cracks. These methods are applied to ultra-fine grained tungsten (average grain size of 650 nm), as it is an ideal candidate for alloy development efforts in advanced energy systems. Tungsten is a useful baseline as it exhibits a near-ambient temperature (approx. 200°C) ductile-to-brittle transition temperature (DBTT), enabling validation efforts for the proposed methods, and extraordinary material properties, including the highest melting temperature of any metal and complex temperature and strain-rate dependencies linked to transitions in dislocation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mirror dark sector solution of the Hubble tension with time-varying fine-structure constant

Here we explore a model introduced by Cyr-Racine et al. that resolves the Hubble tension by invoking a “mirror world” dark sector with energy density a fixed fraction of the “ordinary” sector of Λ+ cold dark matter. Although it reconciles cosmic microwave background and large-scale structure observations with local measurements of the Hubble constant, H 0 , the model requires a value of the primordial helium mass fraction, Y p = 0.170 ± 0.025, that is discrepant with observations and with the predictions of big bang nucleosynthesis. We consider a variant of the model with standard helium mass fraction but with the value of the electromagnetic fine-structure constant, α, slightly different during photon decoupling from its present value. If α at that epoch is lower than its current value by Δα ≃ -2 x 10 -5 , then we can achieve the same Hubble tension resolution as in the work by Cyr-Racine et al. but with consistent helium abundance. As an example of such time evolution of α, we consider a toy model of an ultralight scalar field, with mass m < 4 x 10 -29 eV, coupled to electromagnetism, which evolves after photon decoupling at redshift z ≃ 10 3 , and that with appropriate coupling appears to be consistent with late-time constraints on α variation and the weak equivalence principle.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Quantum duality in electromagnetism and the fine structure constant

We describe the interplay between electric-magnetic duality and higher symmetry in Maxwell theory. When the fine structure constant is rational, the theory admits noninvertible symmetries which can be realized as composites of electric-magnetic duality and gauging a discrete subgroup of the one-form global symmetry. These noninvertible symmetries are approximate quantum invariances of the natural world which emerge in the infrared below the mass scale of charged particles. We construct these symmetries explicitly as topological defects and illustrate their action on local and extended operators. We also describe their action on boundary conditions and illustrate some consequences of the symmetry for Hilbert spaces of the theory defined in finite volume. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Precise interpretations of traditional fine-tuning measures

We uncover two precise interpretations of traditional electroweak fine-tuning (FT) measures that were historically missed. (i) a statistical interpretation : the traditional FT measure shows the change in plausibility of a model in which a parameter was exchanged for the 𝑍 boson mass relative to an untuned model in light of the 𝑍 boson mass measurement. (ii) an information-theoretic interpretation : the traditional FT measure shows the exponential of the extra information, measured in nats, relative to an untuned model that you must supply about a parameter in order to fit the 𝑍 mass. We derive the mathematical results underlying these interpretations, and explain them using examples from weak scale supersymmetry. These new interpretations allow us to rigorously define FT in particle physics and beyond, shed fresh light on the status of extensions to the Standard Model and, lastly, allow us to precisely reinterpret historical and recent studies using traditional FT measures.

electroweak symmetry breaking↗