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NASA NTRS1975

Boundary lubrication of formulated C-ethers in air to 300 C

Friction and wear measurements were made in dry and moist air on CVM M-50 steel lubricated with six C-ether formulations containing phosphorus ester and organic acid additives. Results were compared to those obtained with a formulated Type 2 ester and the C-ether base fluid. A ball-on-disk sliding friction apparatus was used. Experimental conditions were a 1-kilogram load, 17 meter-per-minute (100 rpm) surface speed, and a 25 to 300 C disk temperature range. The C-ether base fluid and the C-ether formulations yielded lower wear than the ester under most test conditions. The C-ether formulations exhibited higher friction coefficients than the ester from 150 to 300 C and similar or lower values from 25 to 150 C.

Jones, W. R., Jr.↗

NASA NTRS1983

A measurement of the (C-12)O/(C-13)O) ratio in the mesosphere of Venus

Measurements of the absorptions in the Venus atmosphere by (C-12)O and (C-13)O in the J = 1-2 microwave, rotational transitions are reported. Radiative transfer models were fitted to the spectra in order to estimate the isotopic ratio (C-12)O/(C-13)O = 185. Based on an extensive error analysis it is suggested that the standard deviation of this value is + or - 69. This result applies to the mesosphere of Venus, i.e., from about 80 to 110 km. Values of the (C-12)O/(C-13)O ratio measured deeper in the Venus atmosphere are closer to the terrestrial value of 89. Several possible, qualitative mechanisms to explain the higher value of (C-12)O/(C-13)O found for the nightside mesosphere of Venus are offered.

Clancy, R. T.↗

DOE OSTI2015

Enhanced electrical activation in In-implanted Ge by C co-doping

At high dopant concentrations in Ge, electrically activating all implanted dopants is a major obstacle in the fulfillment of high-performance Ge-channel complementary metal oxide semiconductor devices. In this letter, we demonstrate a significant increase in the electrically-active dopant fraction in In-implanted Ge by co-doping with the isovalent element C. Electrical measurements have been correlated with x-ray absorption spectroscopy and transmission electron microscopy results in addition to density functional theory simulations. With C + In co-doping, the electrically active fraction was doubled and tripled at In concentrations of 0.2 and 0.7 at. %, respectively. This marked improvement was the result of C-In pair formation such that In-induced strain in the Ge lattice was reduced while the precipitation of In and the formation of In-V clusters were both suppressed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Quantitative comparison of electron temperature fluctuations to nonlinear gyrokinetic simulations in C-Mod Ohmic L-mode discharges

Long wavelength turbulent electron temperature fluctuations (k{sub y}ρ{sub s} < 0.3) are measured in the outer core region (r/a > 0.8) of Ohmic L-mode plasmas at Alcator C-Mod [E. S. Marmar et al., Nucl. Fusion 49, 104014 (2009)] with a correlation electron cyclotron emission diagnostic. The relative amplitude and frequency spectrum of the fluctuations are compared quantitatively with nonlinear gyrokinetic simulations using the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] in two different confinement regimes: linear Ohmic confinement (LOC) regime and saturated Ohmic confinement (SOC) regime. When comparing experiment with nonlinear simulations, it is found that local, electrostatic ion-scale simulations (k{sub y}ρ{sub s} ≲ 1.7) performed at r/a ∼ 0.85 reproduce the experimental ion heat flux levels, electron temperature fluctuation levels, and frequency spectra within experimental error bars. In contrast, the electron heat flux is robustly under-predicted and cannot be recovered by using scans of the simulation inputs within error bars or by using global simulations. If both the ion heat flux and the measured temperature fluctuations are attributed predominantly to long-wavelength turbulence, then under-prediction of electron heat flux strongly suggests that electron scale turbulence is important for transport in C-Mod Ohmic L-mode discharges. In addition, no evidence is found from linear or nonlinear simulations for a clear transition from trapped electron mode to ion temperature gradient turbulence across the LOC/SOC transition, and also there is no evidence in these Ohmic L-mode plasmas of the “Transport Shortfall” [C. Holland et al., Phys. Plasmas 16, 052301 (2009)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Tungsten Catalyst Incorporating a Well‐Defined Tetracoordinated Aluminum Surface Ligand for Selective Metathesis of Propane, [(≡Si−O−Si≡)(≡Si−O−) 2 Al−O−W(≡C t Bu) (H) 2 ]

Abstract A well‐defined aluminium‐bound hydroxyl group on the surface of mesoporous SBA‐15, [(≡Si−O−Si≡) (≡Si−O) 2 Al−OH], 3 was obtained by reacting di‐isopropyl aluminium hydride with SBA‐15 treated at 700 °C. The resulting surface [(≡Si−O−Si≡) (≡Si−O) 2 Al (isobutyl) fragment undergoes β‐H elimination at 400 °C leading to [(≡Si−O−Si≡)(≡Si−O−) 2 Al−O) Al−H]. Further oxidation of this Al‐hydride with N 2 O leads to 3 . This acidic support was used to create a well‐defined surface organo‐tungsten fragment [(≡Si−O−Si≡)(≡Si−O−) 2 Al−O−W(≡C t Bu)(CH 2 tBu) 2 ] by reacting 3 with W(≡C‐ t Bu)(CH 2 ‐ t Bu) 3 . A further reaction with hydrogen under mild conditions afforded the tungsten carbyne bis‐hydride [(≡Si−O−Si≡)(≡Si−O−) 2 Al−O−W(H) 2 (≡C‐ t Bu)]. The performance of each of the W‐supported catalysts was assessed for propane metathesis in a flow reactor at 150 °C. [(≡Si−O−Si≡)(≡Si−O−) 2 Al−O−W(≡C t Bu)(H) 2 ] was found to be a single‐site catalyst, giving the highest turnover number (TON=800) and the highest reported selectivity for butane (45 %) vs . ethane (32 %) known for oxide‐supported tungsten complex catalysts (with the supports being silica, silica‐alumina, and alumina). The results demonstrate that modification of the oxide ligands on silica via the creation of Al Lewis acid center as an anchoring site for organometallic complexes opens up new catalytic properties, markedly enhancing the catalytic performance of supported organo‐tungsten species.

Werghi, Baraa↗

DOE OSTI2023

Projections of wildfire risk and activities under 1.5 °C and 2.0 °C global warming scenarios

Wildfires are important ecosystem processes that have a significant impact on terrestrial vegetation, environment, and climate. This study investigates how future wildfire risk and activities could change under 1.5 °C and 2.0 °C warming scenarios relative to pre-industrial levels using a modified McArthur Forest Fire Danger Index (FFDIn) and the CLM4.5-BGC land surface model. Sixteen Earth System Models (ESMs) from CMIP5 and CMIP6 were employed to supply the variables of climate change under low, middle, and high greenhouse emission scenarios in the 1.5 °C and 2.0 °C scenarios. The ensemble means from the FFDIn and results from the CLM4.5-BGC with multiple forcings show that the dry areas in the southwestern US, Brazilian Highlands, and Arabian islands are projected to face higher wildfire risk with larger burned areas and more carbon emissions under a warmer climate. The Congo Basin and part of the Amazon could have a lower wildfire risk with smaller burned areas and less carbon emissions. The absolute changes in the projected FFDIn are small, although large increases are observed in boreal areas, particularly in the winter and spring. Burned area and carbon emissions are projected to increase in general in the boreal area but decrease in northeastern Asia. Compared to the 1.5 °C scenario, the wildfire risk and burned area levels are projected to increase under the 2.0 °C scenario except in the western Amazon. However, fire carbon emissions are projected to decrease more in tropical areas under the 2.0 °C scenario. The different change directions in eastern North America and eastern China produced by the FFDIn and CLM4.5-BGC suggest the potential effect of non-meteorological elements on fire activities.

1.5 °C and 2.0 °C warming↗

DOE OSTI2017

Search for Λ c + → φ p π 0 and branching fraction measurement of Λ c + → K - π + p π 0

We have investigated the Cabibbo-suppressed decay Λ c + → φ p π 0 in e + e - collisions using a data sample corresponding to an integrated luminosity of 915 fb - 1 . The data were collected by the Belle experiment at the KEKB e + e - asymmetric-energy collider running at or near the Υ ( 4 S ) and Υ ( 5 S ) resonances. No significant signal is observed, and we set an upper limit on the branching fraction of B ( Λ c + → φ p π 0 ) < 15.3 × 10 - 5 at 90% confidence level. The contribution of nonresonant Λ c + → K + K - p π 0 decays is found to be consistent with zero, and the corresponding upper limit on its branching fraction is set to be B ( Λ c + → K + K - p π 0 ) NR < 6.3 × 10 - 5 at 90% confidence level. We also search for an intermediate hidden-strangeness pentaquark decay P s + → φ p . We see no evidence for this intermediate decay and set an upper limit on the product branching fraction of B ( Λ c + → P s + π 0 ) × B ( P s + → φ p ) < 8.3 × 10 - 5 at 90% confidence level. Finally, we measure the branching fraction for the Cabibbo-favored decay Λ c + → K - π + p π 0 ; the result is B ( Λ c + → K - π + p π 0 ) = ( 4.42 ± 0.05 ( stat ) ± 0.12 ( syst ) ± 0.16 ( norm ) ) % , which is the most decisive measurement to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

First Observation of the Doubly Cabibbo-Suppressed Decay of a Charmed Baryon: Λ c + → p K + π -

We report the first observation of the decay Λ c + → p K + π - using a 980 fb - 1 data sample collected by the Belle detector at the KEKB asymmetric-energy e + e - collider. This is the first observation of a doubly Cabibbo-suppressed decay of a charmed baryon. We measure the branching ratio of this decay with respect to its Cabibbo-favored counterpart to be B ( Λ c + → p K + π - ) / B ( Λ c + → p K - π + ) = ( 2.35 ± 0.27 ± 0.21 ) × 10 - 3 , where the uncertainties are statistical and systematic, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

N-doped Fe 3 C@C as an efficient polyselenide reservoir for high-performance sodium-selenium batteries

Sodium-selenium batteries are receiving intense attention due to their high theoretical energy density and low cost, but their pragmatic realization are still impinged by sluggish electrode kinetics and dissolution of sodium polyselenide. In this article, we present a strategy to enable porous N-doped Fe 3 C@C matrix to better entrap polyselenide and enhance the capability of the cell, whereby Fe 3 C serves as an efficient polyselenide reservoir via stronger chemisorption, as clearly evidenced by experimental analysis and DFT simulations. The as-fabricated half cells with 72.6 wt.% selenium content exhibit highly reversible capacities of 620 mA h g -1 at 0.1C rate and 405 mA h g -1 at a high rate of 5C. Moreover, the cell provides superior static stability (shelf-life) as illustrated by its 98.7% capacity retention even after storing for three months. Finally, this material is also paired with Na 3 V 2 O 2 (PO 4 ) 2 F cathode in full cells to realize a stable discharge capacity of 108 mAh g -1 (based on the weights of both the anode cathode) at 0.1C rate over 50 cycles, thus demonstrating N-doped Fe 3 C@C a superior host for sodium-selenium batteries.

25 ENERGY STORAGE↗

DOE OSTI2015

Dimeric c-di-GMP is required for post-translational regulation of alginate production in Pseudomonas aeruginosa

Pseudomonas aeruginosa is an opportunistic human pathogen that secretes the exopolysaccharide alginate during infection of the respiratory tract of individuals afflicted with cystic fibrosis and chronic obstructive pulmonary disease. Among the proteins required for alginate production, Alg44 has been identified as an inner membrane protein whose bis-(3',5')-cyclic dimeric guanosine monophosphate (c-di-GMP) binding activity post-translationally regulates alginate secretion. In this study, we report the 1.8 Å crystal structure of the cytoplasmic region of Alg44 in complex with dimeric self-intercalated c-di-GMP and characterize its dinucleotide-binding site using mutational analysis. The structure shows that the c-di-GMP binding region of Alg44 adopts a PilZ domain fold with a dimerization mode not previously observed for this family of proteins. Moreover, calorimetric binding analysis of residues in the c-di-GMP binding site demonstrate that mutation of Arg-17 and Arg-95 alters the binding stoichiometry between c-di-GMP and Alg44 from 2:1 to 1:1. Introduction of these mutant alleles on the P. aeruginosa chromosome show that the residues required for binding of dimeric c-di-GMP in vitro are also required for efficient alginate production in vivo. Our results suggest that the dimeric form of c-di-GMP represents the biologically active signaling molecule needed for the secretion of an important virulence factor produced by P. aeruginosa.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Crop productivity changes in 1.5 °C and 2 °C worlds under climate sensitivity uncertainty

Following the adoption of the Paris Agreement, there has been an increasing interest in quantifying impacts at discrete levels of global mean temperature (GMT) increase such as 1.5 °C and 2 °C above pre-industrial levels. Consequences of anthropogenic greenhouse gas emissions on agricultural productivity have direct and immediate relevance for human societies. Future crop yields will be affected by anthropogenic climate change as well as direct effects of emissions such as CO 2 fertilization. At the same time, the climate sensitivity to future emissions is uncertain. Here we investigate the sensitivity of future crop yield projections with a set of global gridded crop models for four major staple crops at 1.5 °C and 2 °C warming above pre-industrial levels, as well as at different CO 2 levels determined by similar probabilities to lead to 1.5 °C and 2 °C, using climate forcing data from the Half a degree Additional warming, Prognosis and Projected Impacts project. For the same CO 2 forcing, we find consistent negative effects of half a degree warming on productivity in most world regions. Increasing CO 2 concentrations consistent with these warming levels have potentially stronger but highly uncertain effects than 0.5 °C warming increments. Half a degree warming will also lead to more extreme low yields, in particular over tropical regions. Our results indicate that GMT change alone is insufficient to determine future impacts on crop productivity.

1.5 °C↗

DOE OSTI2021

High-resolution crystal structure of the Borreliella burgdorferi PlzA protein in complex with c-di-GMP: new insights into the interaction of c-di-GMP with the novel xPilZ domain

ABSTRACT In the tick-borne pathogens, Borreliella burgdorferi and Borrelia hermsii, c-di-GMP is produced by a single diguanylate cyclase (Rrp1). In these pathogens, the Plz proteins (PlzA, B and C) are the only c-di-GMP receptors identified to date and PlzA is the sole c-di-GMP receptor found in all Borreliella isolates. Bioinformatic analyses suggest that PlzA has a unique PilZN3-PilZ architecture with the relatively uncommon xPilZ domain. Here, we present the crystal structure of PlzA in complex with c-di-GMP (1.6 Å resolution). This is the first structure of a xPilz domain in complex with c-di-GMP to be determined. PlzA has a two-domain structure, where each domain comprises topologically equivalent PilZ domains with minimal sequence identity but remarkable structural similarity. The c-di-GMP binding site is formed by the linker connecting the two domains. While the structure of apo PlzA could not be determined, previous fluorescence resonance energy transfer data suggest that apo and holo forms of the protein are structurally distinct. The information obtained from this study will facilitate ongoing efforts to identify the molecular mechanisms of PlzA-mediated regulation in ticks and mammals.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Structural implications of the C-terminal tail in the catalytic and stability properties of manganese peroxidases from ligninolytic fungi

The variable C-terminal tail of manganese peroxidases, a group of enzymes involved in lignin degradation, is implicated in their catalytic and stability properties, as shown by new crystal structures, molecular-simulation and directed-mutagenesis data. Based on this structural–functional evaluation, short and long/extralong manganese peroxidase subfamilies have been accepted; the latter are characterized by exceptional stability, while it is shown for the first time that the former are able to oxidize other substrates at the same site where manganese(II) is oxidized. The genome of Ceriporiopsis subvermispora includes 13 manganese peroxidase (MnP) genes representative of the three subfamilies described in ligninolytic fungi, which share an Mn{sup 2+}-oxidation site and have varying lengths of the C-terminal tail. Short, long and extralong MnPs were heterologously expressed and biochemically characterized, and the first structure of an extralong MnP was solved. Its C-terminal tail surrounds the haem-propionate access channel, contributing to Mn{sup 2+} oxidation by the internal propionate, but prevents the oxidation of 2, 2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS), which is only oxidized by short MnPs and by shortened-tail variants from site-directed mutagenesis. The tail, which is anchored by numerous contacts, not only affects the catalytic properties of long/extralong MnPs but is also associated with their high acidic stability. Cd{sup 2+} binds at the Mn{sup 2+}-oxidation site and competitively inhibits oxidation of both Mn{sup 2+} and ABTS. Moreover, mutations blocking the haem-propionate channel prevent substrate oxidation. This agrees with molecular simulations that position ABTS at an electron-transfer distance from the haem propionates of an in silico shortened-tail form, while it cannot reach this position in the extralong MnP crystal structure. Only small differences exist between the long and the extralong MnPs, which do not justify their classification as two different subfamilies, but they significantly differ from the short MnPs, with the presence/absence of the C-terminal tail extension being implicated in these differences.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Absorption oscillator strengths for the c{sub 4}{sup ′1}Σ{sub u}{sup +}(3, 4, 6)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′}), b{sup ′1}Σ{sub u}{sup +}(10, 13, 20)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′}), AND c{sub 5}{sup ′1}Σ{sub u}{sup +}(1)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′}) progressions in N{sub 2}

Absorption oscillator strengths, calculated with the molecular quantum defect orbital method, for the c{sub 4}{sup ′1} Σ{sub u}{sup +}(3)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12), c{sub 4}{sup ′1}Σ{sub u}{sup +}(4)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12), c{sub 4}{sup ′1}Σ{sub u}{sup +}(6)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12), b{sup ′1}Σ{sub u}{sup +}(10)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12), b{sup ′1}Σ{sub u}{sup +}(13)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12), b{sup ′1}Σ{sub u}{sup +}(20)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12), and c{sub 5}{sup ′1}Σ{sub u}{sup +}(1)–X{sup 1}Σ{sub g}{sup +}(v{sup ′′} = 0–12) bands of molecular nitrogen are reported. The Rydberg–valence interaction between states of {sup 1}Σ{sub u}{sup +} symmetry has been treated through an interaction matrix that includes vibrational coupling. Due to the homogeneous interaction, the intensity distribution of the bands within each progression deviates from the Franck–Condon predictions. The present results for vibronic transitions from the X{sup 1}Σ{sub g}{sup +}(0) ground state agree rather well with reported high-resolution measurements. As far as we know, f-values for bands originating from v″ > 0 vibrational levels of the electronic ground state are reported here for the first time. These data may be useful in the interpretation of the extreme ultraviolet spectra from Earth’s and Titan’s atmospheres, in which several bands of the c{sub 4}{sup ′}(3), c{sub 4}{sup ′}(4), and c{sub 4}{sup ′}(6) progressions have been identified.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1988

Detection of C-13O radio emission from C-13-rich carbon stars

A high ratio of C-13O radio emission in the J = 1-0 rotational line has been detected from three mass-losing carbon stars which optical data indicate have high C-13/C12 ratios. Since chemical fractionation, isotope-dependent photodissociation and opacity in the rotational and vibrational lines may not raise significantly the C-13O ratio above the actual C-13/C-12 ratio in these circumstellar envelopes, the relative abundance of C-13 in these stars might be even greater by perhaps a factor of two than previously believed. About 15 percent of all luminous carbon stars are C-13-rich, and these stars may play a significant role in the enhancement in the C-13/C12 ratio that has occurred during the past 4.6 billion years since the formation of the sun.

Jura, M.↗

DOE OSTI2023

Amplitude analysis of the Λ c + → p K - π + decay and Λ c + baryon polarization measurement in semileptonic beauty hadron decays

An amplitude analysis of Λ c + → p K - π + decays together with a measurement of the Λ c + polarization vector in semiōleptonic beauty hadron decays is presented. A sample of 400 000 candidates is selected from proton-proton collisions recorded by the LHCb detector at a center-of-mass energy of 13 TeV. An amplitude model is developed and the resonance fractions as well as two- and three-body decay parameters are reported. The mass and width of the $Λ$(2000) state are also determined. A significant Λ c + polarization is found. A large sensitivity of the Λ c + → p K - π + decay to the polarization is seen, making the amplitude model suitable for Λ c + polarization measurements in other systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Search for h c → π + π − J / ψ via ψ ( 3686 ) → π 0 h c

Using ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector operating at the BEPCII collider, we search for the hadronic transition h c → π + π − J / ψ via ψ ( 3686 ) → π 0 h c . No significant signal is observed. We set the most stringent upper limits to date on the branching fractions B ( ψ ( 3686 ) → π 0 h c ) × B ( h c → π + π − J / ψ ) and B ( h c → π + π − J / ψ ) at the 90% confidence level, which are determined to be 6.7 × 10 − 7 and 9.4 × 10 − 4 , respectively. Published by the American Physical Society 2024

Ablikim, M.↗

DOE OSTI2023

Gapless spinons and a field-induced soliton gap in the hyperhoneycomb Cu oxalate framework compound [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3

Here, we report a detailed study of the specific heat and magnetic susceptibility of single crystals of a spin-liquid candidate: the hyperhoneycomb Cu oxalate framework compound [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3 . The specific heat shows no anomaly associated with a magnetic transition at low temperatures down to T ~ 180 mK in zero magnetic field. We observe a large linear-in-T contribution to the specific heat γT, γ = 98 (1) mJ / mol K 2 , at low temperatures, indicative of the presence of fermionic excitations despite the Mott insulating state. The low-T specific heat is strongly suppressed by applied magnetic fields H, which induce an energy gap, Δ(H), in the spin-excitation spectrum. We use the four-component relativistic density-functional theory (DFT) to calculate the magnetic interactions, including the Dzyaloshinskii-Moriya antisymmetric exchange, which causes an effective staggered field acting on one copper sublattice. The magnitude and field dependence of the field-induced gap, Δ (H) ∝ H 2/3 , are accurately predicted by the soliton mass calculated from the sine-Gordon model of weakly coupled antiferromagnetic Heisenberg chains with all parameters determined by our DFT calculations. Thus our experiment and calculations are entirely consistent with a model of [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3 in which anisotropic magnetic exchange interactions due to Jahn-Teller distortion cause one copper sublattice to dimerize, leaving a second sublattice of weakly coupled antiferromagnetic chains. We also show that this model quantitatively accounts for the measured temperature-dependent magnetic susceptibility. Thus [(C 2 H 5 ) 3 NH] 2 Cu 2 (C 2 O 4 ) 3 is a canonical example of a one-dimensional spin-1/2 Heisenberg antiferromagnet and not a resonating-valence-bond quantum spin liquid, as previously proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗