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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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Temperature dependence of secondary electron emission: A new route to nanoscale temperature measurement using scanning electron microscopy
Scanning electron microscopy (SEM) is ubiquitous for imaging but is not generally regarded as a tool for thermal measurements. Here, the temperature dependence of secondary electron (SE) emission from a sample's surface is investigated. Spatially uniform SEM images and the net charge flowing through a sample were recorded at different temperatures to quantify the temperature dependence of SE emission and electron absorption. The measurements also demonstrated charge conservation during thermal cycling by placing the sample inside a Faraday cup to capture the emitted SEs and back-scattered electrons from the sample. The temperature dependence of SE emission was measured for four semiconducting materials (Si, GaP, InP, and GaAs) with response coefficients found to be of magnitudes ~100-1000 ppm/K. The detection limits for temperature changes were no more than ±8 °C for 60 s acquisition time.
Confinement of relativistic electrons in a magnetic mirror en route to a magnetized relativistic pair plasma
Creating a magnetized relativistic pair plasma in the laboratory would enable the exploration of unique plasma physics relevant to some of the most energetic events in the universe. As a step toward a laboratory pair plasma, we have demonstrated an effective confinement of multi-MeV electrons inside a pulsed-power-driven 13 T magnetic mirror field with a mirror ratio of 2.6. The confinement is diagnosed by measuring the axial and radial losses with magnetic spectrometers. The loss spectra are consistent with ≤2.5 MeV electrons confined in the mirror for ∼1 ns. With a source of 1012 electron-positron pairs at comparable energies, this magnetic mirror would confine a relativistic pair plasma with Lorentz factor γ∼6 and magnetization σ∼40.
A quantum switch routes photons one by one
Peculiar properties of a miniature optical cavity give the switch its sense of direction.
Meltwater routing and the Younger Dryas
The Younger Dryas -- the last major cold episode on Earth -- is generally considered to have been triggered by a meltwater flood into the North Atlantic. The prevailing hypothesis, proposed by Broecker et al. [1989 Nature 341:318–321] more than two decades ago, suggests that an abrupt rerouting of Lake Agassiz overflow through the Great Lakes and St. Lawrence Valley inhibited deep water formation in the subpolar North Atlantic and weakened the strength of the Atlantic Meridional Overturning Circulation (AMOC).More recently, Tarasov and Peltier [2005 Nature 435:662–665] showed that meltwater could have discharged into the Arctic Ocean via the Mackenzie Valley ~4,000 km northwest of the St. Lawrence outlet. Here we use a sophisticated, high-resolution, ocean sea-ice model to study the delivery of meltwater from the two drainage outlets to the deep water formation regions in the North Atlantic. Unlike the hypothesis of Broecker et al., freshwater from the St. Lawrence Valley advects into the subtropical gyre ~3,000 km south of the North Atlantic deep water formation regions and weakens the AMOC by <15%. In contrast, narrow coastal boundary currents efficiently deliver meltwater from the Mackenzie Valley to the deep water formation regions of the subpolar North Atlantic and weaken the AMOC by >30%. We conclude that meltwater discharge from the Arctic, rather than the St. Lawrence Valley, was more likely to have triggered the Younger Dryas cooling.
A mechanically driven form of Kirigami as a route to 3D mesostructures in micro/nanomembranes
Assembly of 3D micro/nanostructures in advanced functional materials has important implications across broad areas of technology. Existing approaches are compatible, however, only with narrow classes of materials and/or 3D geometries. This article introduces ideas for a form of Kirigami that allows precise, mechanically driven assembly of 3D mesostructures of diverse materials from 2D micro/nanomembranes with strategically designed geometries and patterns of cuts. Theoretical and experimental studies demonstrate applicability of the methods across length scales from macro to nano, in materials ranging from monocrystalline silicon to plastic, with levels of topographical complexity that significantly exceed those that can be achieved using other approaches. A broad set of examples includes 3D silicon mesostructures and hybrid nanomembrane-nanoribbon systems, including heterogeneous combinations with polymers and metals, with critical dimensions that range from 100 nm to 30 mm. Lastly, a 3D mechanically tunable optical transmission window provides an application example of this Kirigami process, enabled by theoretically guided design.
The elaborate route for UDP-arabinose delivery into the Golgi of plants
Significance Nucleotide sugars, the activated sugar donors essential for processes such as cell wall biosynthesis and protein and lipid glycosylation are predominantly made in the cytosol. However, a highly diverse range of glycosyltransferases that are located within the Golgi lumen, mediate the above-mentioned glycosylation reactions. Thus, transport of nucleotide sugars across the Golgi membrane into the lumen is crucial for growth and development of many species including microorganisms, plants, and humans. In this study, we identify and functionally characterize four UDP-arabinofuranose transporters from Arabidopsis that are responsible for the delivery of activated arabinose, a critical sugar of plant cell walls, glycoproteins, and signaling peptides.
Coarse-Graining Away Electronic Structure: A Rigorous Route to Accurate Condensed Phase Interaction Potentials
Abstract not provided
Sum-rule corrections: A route to error cancellations in correlation matrix renormalisation theory
Here, we recently proposed the correlation matrix renormalisation (CMR) theory to efficiently and accurately calculate ground state total energy of molecular systems, based on the Gutzwiller variational wavefunction (GWF) to treat the electronic correlation effects. To help reduce numerical complications and better adapt the CMR to infinite lattice systems, we need to further refine the way to minimise the error originated from the approximations in the theory. This conference proceeding reports our recent progress on this key issue, namely, we obtained a simple analytical functional form for the one-electron renormalisation factors, and introduced a novel sum-rule correction for a more accurate description of the intersite electron correlations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.
CuCr 2 O 4 particle growth and evolution across sol–gel routes and calcination profiles
CuCr 2 O 4 spinel is a candidate coating material for central receivers in concentrating solar power to protect structural alloys against high temperature oxidation and related degradation. Coating performance and microstructure of dip-coated and sintered coatings is dictated by the initial particle size of the CuCr 2 O 4 and sintering temperature, but can be compromised by particle agglomeration. Here in this study, sub-micron particles were synthesised through the Pechini and modified Pechini sol–gel methods. Phase composition was confirmed via X-ray diffraction. Particle growth during calcination of the nanoparticles at different temperatures (650°C, 750°C, 850°C) and times (between 1 and 24 h) was measured via laser diffraction and scanning electron microscopy. The modified Pechini method displayed evidence of smaller particle sizes and greater agglomeration. The kinetics of particle growth observed are consistent with a diffusion limited inhibited grain growth model.
A CROSSED MOLECULAR BEAM, LOW-TEMPERATURE KINETICS, AND THEORETICAL INVESTIGATION OF THE REACTION OF THE CYANO RADICAL (CN) WITH 1,3-BUTADIENE (C{sub 4}H{sub 6}). A ROUTE TO COMPLEX NITROGEN-BEARING MOLECULES IN LOW-TEMPERATURE EXTRATERRESTRIAL ENVIRONMENTS
We present a joint crossed molecular beam and kinetics investigation combined with electronic structure and statistical calculations on the reaction of the ground-state cyano radical, CN(X {sup 2}{Sigma}{sup +}), with the 1,3-butadiene molecule, H{sub 2}CCHCHCH{sub 2}(X {sup 1} A{sub g}), and its partially deuterated counterparts, H{sub 2}CCDCDCH{sub 2}(X {sup 1} A{sub g}) and D{sub 2}CCHCHCD{sub 2}(X {sup 1} A{sub g}). The crossed beam studies indicate that the reaction proceeds via a long-lived C{sub 5}H{sub 6}N complex, yielding C{sub 5}H{sub 5}N isomer(s) plus atomic hydrogen under single collision conditions as the nascent product(s). Experiments with the partially deuterated 1,3-butadienes indicate that the atomic hydrogen loss originates from one of the terminal carbon atoms of 1,3-butadiene. A combination of the experimental data with electronic structure calculations suggests that the thermodynamically less favorable 1-cyano-1,3-butadiene isomer represents the dominant reaction product; possible minor contributions of less than a few percent from the aromatic pyridine molecule might be feasible. Low-temperature kinetics studies demonstrate that the overall reaction is very fast from room temperature down to 23 K with rate coefficients close to the gas kinetic limit. This finding, combined with theoretical calculations, indicates that the reaction proceeds on an entrance barrier-less potential energy surface (PES). This combined experimental and theoretical approach represents an important step toward a systematic understanding of the formation of complex, nitrogen-bearing molecules-here on the C{sub 5}H{sub 6}N PES-in low-temperature extraterrestrial environments. These results are compared to the reaction dynamics of D1-ethynyl radicals (C{sub 2}D; X {sup 2}{Sigma}{sup +}) with 1,3-butadiene accessing the isoelectronic C{sub 6}H{sub 7} surface as tackled earlier in our laboratories.
Accurate spectroscopic characterization of oxirane: A valuable route to its identification in Titan's atmosphere and the assignment of unidentified infrared bands
In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm{sup –1} for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%-3%, and 3%-4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan's atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz).
Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: a route toward their astrophysical detection
Using state-of-the-art computational methodologies, we predict a set of reliable rotational and torsional parameters for ethyl mercaptan and dimethyl sulfide monosubstituted isotopologues. This includes rotational, quartic, and sextic centrifugal-distortion constants, torsional levels, and torsional splittings. The accuracy of the present data was assessed from a comparison to the available experimental data. Generally, our computed parameters should help in the characterization and the identification of these organo-sulfur molecules in laboratory settings and in the interstellar medium.
Routes to high-performance operation in Wendelstein 7-X: turbulence suppression with shaping of the density profile
Steep density gradients generally lead to improved plasma performance in the neoclassically optimized stellarator W7-X. This is evident in the global energy confinement time as well as in the ion temperature and can be explained by a strong reduction of the ion temperature gradient turbulence. Such conditions can experimentally be realized by several methods: injection of cryogenic hydrogen pellets, appropriate combination of neutral beam and electron cyclotron resonance heating (ECRH) and, in some cases, with low power of ECRH after preconditioning of the first wall. The duration of the improved phases is determined by the ability to sustain the steep density gradient, by technical limitations of the involved systems and, eventually, by the plasma stability. This paper gives an overview of relevant experimental results and presents example discharges where the improved confinement conditions could be extended to multiple seconds: up to 4 s using neutral beam injection and from 14 to 40 s with steady state pellet injection. In these plasmas the turbulent thermal diffusivity is reduced by a factor of 3 to 4 in a broad radial range, which allows high ion temperatures of up to 3 keV at the densities of about 1.5 • 10 20 m −3 .
Synthesis routes to eliminate oxide impurity segregation and their influence on intergrain connectivity in K-doped BaFe 2 As 2 polycrystalline bulks
The poor reproducibility of intergrain critical current density $J_c$ in Fe-based superconductors is often believed to result from uncontrolled grain boundary (GB) connectivity degraded by extrinsic factors such as the local or global impurity concentration or GB porosity or cracks. Earlier we found that Ba and K can appear as oxide impurities at GBs, along with GB-wetting FeAs. In this study, we evaluated how the sample preparation environment and purity of the starting materials influence the polycrystalline $J_c$ in K-doped BaFe 2 As 2 (Ba122) bulks. Using a high-performance glovebox, the oxygen and water levels were significantly reduced, eliminating traces of FeAs. We report oxide impurities and Ba (or K) segregation associated with oxygen in the starting materials were significantly reduced by using high purity starting materials. This combination essentially doubled the best $J_c$(4.2 K) values to 2.3 × 10 5 at self-field and 1.6 × 10 4 A cm –2 at 10 T and analytical scanning transmission electron microscopy showed no GB or O segregation in the best samples, but did show dark Z-contrast and distinct nanoscale porosity. Our work shows that an inert synthesis environment and high purity K and Ba do reduce current-blocking oxygen impurity and GB impurity phases, allowing deeper exploration of the role of extrinsic and intrinsic GB blocking effects in controlling the $J_c$ of polycrystalline Ba122.
SOLID-STATE CO OXIDATION BY ATOMIC O: A ROUTE TO SOLID CO{sub 2} SYNTHESIS IN DENSE MOLECULAR CLOUDS
Investigations with infrared spectroscopy and microgravimetry show that CO{sub 2} forms in small quantities during codeposition of CO and cooled O and O{sub 2} into thin films at 20 K: {approx}3 x 10{sup 14} CO{sub 2} cm{sup -2} within a film containing 2.7 x 10{sup 17} CO cm{sup -2}. The reason for the low CO{sub 2} yield is that O atoms react preferentially with O to form O{sub 2}, and with O{sub 2} to form ozone, which was not considered in previous studies with atomic beams. Heating a CO + O + O{sub 2} film capped with a {approx}2.5 {mu}m thick water ice layer to 80 K increased CO{sub 2} by 30%, showing additional reactions between O and CO diffusing in the ice layer. Although the CO{sub 2}:CO = 10{sup -3} measured in our experiments is at least two orders of magnitude smaller than reported interstellar ratios, sputtering and differential desorption during transient heating events, e.g., by impacts of cosmic rays or stellar winds, can increase the ratio to observed values.
Doping in the Valley of Hydrogen Solubility: A Route to Designing Hydrogen-Resistant Zirconium Alloys
Not Available
Route to high-$T_c$ superconductivity via CH 4 -intercalated H 3 S hydride perovskites
While exploring potential superconductors in the C-S-H ternary system using first-principles crystal structure prediction methods, we uncovered a class of hydride perovskites based on the intercalation of methane into an H 3 S framework. These intriguing H 3 S–CH 4 structures emerge as metastable at ~100 GPa. Further, electron-phonon coupling calculations indicate that phases with CSH 7 stoichiometry are potential superconductors with $T_c$ values ranging from 100 K to 190 K at megabar pressures. The results are expected to guide the experimental search for new high-$T_c$ superconductors, including those stable at lower pressures than previously documented superconducting hydrides such as H 3 S and LaH 10 .