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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

On the Effects of Aliovalent Substitutions in Thermoelectric Zintl Pnictides. Varied Polyanionic Dimensionality and Complex Structural Transformations–The Case of Sr 3 ZnP 3 vs Sr 3 Al x Zn 1– x P 3

The structures and the transport properties of a novel family of Zintl phosphides and arsenides with the formula AE 3 ZnPn 3 and the solid solutions AE 3 Al x Zn 1–x Pn 3 , AE 3 ZnAs y P 1–y (AE = Sr, Eu; Pn = P, As) are reported. Crystals of nine new phases have been obtained via Pb-flux reactions and used for structural work by means of single-crystal X-ray diffraction methods. The derived orthorhombic structure is without a direct analog, and features unusual structural units, where the Zn atoms are in both distorted tetrahedral and trigonal-planar coordination of pnictogens. Electronic structure calculations reveal moderately wide bandgaps for Sr 3 ZnP 3 and Sr 3 ZnAs 3 , on the order of 0.70 and 0.63 eV, respectively. Electrical transport measurements above room temperature indicate relatively high resistivity values above 500 K (ρ ≈ 4.8 Ω cm and above), but some of the samples exhibit very high Seebeck coefficients, as large as 300 μV/K at 560 K for Sr 3 ZnAs 3 . Aliovalent substitutions in AE 3 ZnPn 3 , achieved by the partial replacement of Zn 2+ with Al 3+ cations promote occupational and positional disorder, which causes structural transformation towards the disordered variant of the Sr 5 Al 2 Sb 6 structure type. Such substitutions also change the dimensionality of the polyanionic sub-lattice in the resulting quaternary AE 3 Al x Zn 1–x Pn 3 phases. Furthermore, preliminary transport property data on the latter reveal nine times lower electrical resistivity (ρ 500 ≈ 0.5 Ω cm) together with a significantly enhanced Seebeck coefficient, αmax ≈ 430 μV/K at 560 K.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Complex structure of the carbon arc discharge for synthesis of nanotubes

Comprehensive non-invasive spectroscopic techniques and electrical measurements of the carbon arc revealed two distinguishable plasma synthesis regions in the radial direction normal to the arc axis. These regions, which are defined as the arc core and the arc periphery, are shown to have very different compositions of carbon species with different densities and temperatures. The colder arc periphery is dominated by carbon diatomic molecules (C 2 ), which are in the minority in the composition of the hot arc core. These differences are due to a highly non-uniform distribution of the arc current, which is mainly conducted through the arc core populated with carbon atoms and ions. Therefore, the ablation of the graphite anode is governed by the arc core, while the formation of carbon molecules occurs in the colder arc periphery. Furthermore, this result is consistent with previous predictions that the plasma environment in the arc periphery is suitable for synthesis of carbon nanotubes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Complex Structure of Molten FLiBe (2 Li F – Be F 2 ) Examined by Experimental Neutron Scattering, X-Ray Scattering, and Deep-Neural-Network Based Molecular Dynamics

The use of molten salts as coolants, fuels, and tritium breeding blankets in the next generation of fission and fusion nuclear reactors benefits from furthering the characterization of the molecular structure of molten halide salts, paving the way to predictive capability of the chemical and thermophysical properties of molten salts. Due to its neutronic, chemical, and thermochemical properties, 2 Li F - Be F 2 is a candidate molten salt for several fusion- and fission-reactor designs. We performed neutron and x-ray total-scattering measurements to determine the atomic structure of liquid 2 Li F - Be F 2 . We also performed and neural-network molecular-dynamics simulations to predict the structure obtained by neutron- and x-ray-diffraction experiments. The use of machine learning provides improvements to the efficiency in predicting the structure at a longer length scales than is achievable with simulations at significantly lower computational expense while retaining near accuracy. We found that the NNMD simulations accurately predicted the Be F 4 2 − oligomer formations seen in the experimental first-structure-factor peak. Our combination of high-resolution measurements with large-scale molecular dynamics provided an avenue to explore and experimentally verify the intermediate-range ordering beyond the first-nearest neighbor that has posed too many experimental and computational challenges in previous works. With a deeper understanding of the salt structure and ion ordering, the evolution of salt chemistry over the lifetime of a reactor can be better predicted, which is crucial to the licensing and operation of advanced fission and fusion reactors that employ molten salts. To this end, this work will serve as a reference for future studies of salt structure and macroscopic properties with and without the addition of solutes. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Unraveling the complex structure of AGN-driven outflows. I. Kinematics and sizes

Outflows driven by active galactic nuclei (AGNs) are often invoked as agents of the long-sought AGN feedback. Yet, characterizing and quantifying the impact on their host galaxies has been challenging. We present Gemini Multi-Object Spectrograph integral field unit data of six local (z < 0.1) and luminous (L{sub [OIII]}>10{sup 42} erg s{sup −1}) type 2 AGNs. In the first of a series of papers, we investigate the kinematics and constrain the size of the outflows. The ionized gas kinematics can be described as a superposition of a gravitational component that follows the stellar motion and an outflow-driven component that shows large velocity (up to 600 km s{sup −1}) and large velocity dispersion (up to 800 km s{sup −1}). Using the spatially resolved measurements of the gas, we kinematically measure the size of the outflow, which is found to be between 1.3 and 2.1 kpc. Owing to the lack of a detailed kinematic analysis, previous outflow studies likely overestimate their size by up to more than a factor of two, depending on how the size is estimated and whether the [O iii] or Hα emission line is used. The relatively small size of the outflows for all six of our objects casts doubts on their potency as a mechanism for negative AGN feedback.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

UNRAVELLING THE COMPLEX STRUCTURE OF AGN-DRIVEN OUTFLOWS. II. PHOTOIONIZATION AND ENERGETICS

Outflows have been shown to be prevalent in galaxies hosting luminous active galactic nuclei (AGNs); they present a physically plausible way to couple the AGN energy output with the interstellar medium of their hosts. Despite their prevalence, accurate characterization of these outflows has been challenging. In the second of a series of papers, we use Gemini Multi-Object Spectrograph integral field unit (IFU) data of six local ( z < 0.1) and moderate-luminosity Type 2 AGNs to study the ionization properties and energetics of AGN-driven outflows. We find strong evidence connecting the extreme kinematics of the ionized gas to the AGN photoionization. The kinematic component related to the AGN-driven outflow is clearly separated from other kinematic components, such as virial motions or rotation, on the velocity and velocity dispersion diagram. Our spatially resolved kinematic analysis reveals that 30 to 90% of the total mass and kinetic energy of the outflow is contained within the central kpc of the galaxy. The spatially integrated mass and kinetic energy of the gas entrained in the outflow correlate well with the AGN bolometric luminosity and results in energy conversion efficiencies between 0.01% and 1%. Intriguingly, we detect ubiquitous signs of ongoing circumnuclear star formation. Their small size, the centrally contained mass and energy, and the universally detected circumnuclear star formation cast doubts on the potency of these AGN-driven outflows as agents of galaxy-scale negative feedback.

79 ASTRONOMY AND ASTROPHYSICS↗