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At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Mono- N -protected amino acid ligands stabilize dimeric palladium( II ) complexes of importance to C–H functionalization

Mono-protected amino acid (MPAA) ligands are used in a number of Pd-catalyzed C–H functionalization reactions. MPAAs have been proposed to bind to Pd( II ) via κ 2 -( N , O ) coordination, but such binding has not yet been experimentally validated. Herein, we report the synthesis and detailed characterization of a series of MPAA complexes prepared via cyclopalladation of dimethylbenzylamine in the presence of MPAAs. The isolated complexes exist as μ-carboxylato (MPAA) bridged dimers and feature potential M–M cooperativity and secondary sphere hydrogen bonding. Selective MPAA coordination and relay of stereochemistry, previously suggested to uniquely result from κ 2 -( N , O ) MPAA coordination, are both observed. The isolated MPAA complexes undergo C–C and C–X (X = Cl, Br, I) bond formation when treated with electrophiles used for catalytic C–H functionalization. Stoichiometric iodination of MPAA palladacycles was found to proceed via a dinuclear palladium species with one equivalent of iodine in the rate limiting transition structure, and the isolated complexes also served as viable precatalysts for catalytic C–H functionalization. Together, these results provide a number of insights into the reactivity of Pd-MPAA complexes relevant to C–H bond functionalization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Statistical analysis of Al III and C III ] emission lines as virial black hole mass estimators in quasars

We test the usefulness of the intermediate ionisation lines Al IIIλ1860 and C III]λ1909 as reliable virial mass estimators for quasars. We identified a sample of 309 quasars from the Sloan Digital Sky Survey Data Release 16 (SDSS DR16) in the redshift range 1.2 ≤ z ≤ 1.4 that have [O II]λ3728 recorded on the same spectrum as Al IIIλ1860, Si III]λ1892, and C III]λ1909. We set the systemic quasar redshift using careful measurements of [O II]λ3728. We then classified the sources as Population A (Pop. A), extreme Population A (Pop. xA), and Population B (Pop. B), and analysed the 1900 Å blend using multi-component models to look for systematic line shifts of Al IIIλ1860 and C III]λ1909 along the quasar main sequence. We do not find significant shifts of the Al IIIλ1860 line peak in Pop. B or in the vast majority of Pop. A. For Pop. xA, a small median blueshift of -250 km s -1 was observed, motivating a decomposition of the Al III line profile into a virialised component centred at rest frame and a blueshifted component for an outflow emission. For Pop. B objects, we proved the empirical necessity to fit a redshifted very broad component, clearly seen in C III], and analysed the physical implications on a Pop. B composite spectrum using CLOUDY simulations. We find consistent black hole mass estimations using Al III and C III] as virial estimators for the bulk of Pop. A. Al III (and even C III]) is a reliable virial black hole mass estimator for Pop. A and Pop. B objects. The Pop. xA sources deserve special attention due to the significant blueshifted excess observed in the line profile of Al III, although it is not as large as the excess observed in C IVλ1549.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Electrical transport properties of (BN)-rich hexagonal (BN)C semiconductor alloys

The layer structured hexagonal boron nitride carbon semiconductor alloys, h-(BN)C, offer the unique abilities of bandgap engineering (from 0 for graphite to ∼6.4 eV for h-BN) and electrical conductivity control (from semi-metal for graphite to insulator for undoped h-BN) through alloying and have the potential to complement III-nitride wide bandgap semiconductors and carbon based nanostructured materials. Epilayers of (BN)-rich h-(BN){sub 1-x}(C{sub 2}){sub x} alloys were synthesized by metal-organic chemical vapor deposition (MOCVD) on (0001) sapphire substrates. Hall-effect measurements revealed that homogeneous (BN)-rich h-(BN){sub 1-x}(C{sub 2}){sub x} alloys are naturally n-type. For alloys with x = 0.032, an electron mobility of about 20 cm{sup 2}/Vs at 650 °K was measured. X-ray photoelectron spectroscopy (XPS) was used to determine the chemical composition and analyze chemical bonding states. Both composition and chemical bonding analysis confirm the formation of alloys. XPS results indicate that the carbon concentration in the alloys increases almost linearly with the flow rate of the carbon precursor (propane (C{sub 3}H{sub 8})) employed during the epilayer growth. XPS chemical bonding analysis showed that these MOCVD grown alloys possess more C-N bonds than C-B bonds, which possibly renders the undoped h-(BN){sub 1-x}(C{sub 2}){sub x} alloys n-type and corroborates the Hall-effect measurement results.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Enhanced damage buildup in C{sup +}-implanted GaN film studied by a monoenergetic positron beam

Wurtzite GaN films grown by hydride vapor phase epitaxy were implanted with 280 keV C{sup +} ions to a dose of 6 × 10{sup 16 }cm{sup −2}. Vacancy-type defects in C{sup +}-implanted GaN were probed using a slow positron beam. The increase of Doppler broadening S parameter to a high value of 1.08–1.09 after implantation indicates introduction of very large vacancy clusters. Post-implantation annealing at temperatures up to 800 °C makes these vacancy clusters to agglomerate into microvoids. The vacancy clusters or microvoids show high thermal stability, and they are only partially removed after annealing up to 1000 °C. The other measurements such as X-ray diffraction, Raman scattering and Photoluminescence all indicate severe damage and even disordered structure induced by C{sup +}-implantation. The disordered lattice shows a partial recovery after annealing above 800 °C. Amorphous regions are observed by high resolution transmission electron microscopy measurement, which directly confirms that amorphization is induced by C{sup +}-implantation. The disordered GaN lattice is possibly due to special feature of carbon impurities, which enhance the damage buildup during implantation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Anomalous C-V response correlated to relaxation processes in TiO{sub 2} thin film based-metal-insulator-metal capacitor: Effect of titanium and oxygen defects

Capacitance-voltage (C–V) and capacitance-frequency (C–f) measurements are performed on atomic layer deposited TiO{sub 2} thin films with top and bottom Au and Pt electrodes, respectively, over a large temperature and frequency range. A sharp capacitance peak/discontinuity (C–V anomalous) is observed in the C–V characteristics at various temperatures and voltages. It is demonstrated that this phenomenon is directly associated with oxygen vacancies. The C–V peak irreversibility and dissymmetry at the reversal dc voltage are attributed to difference between the Schottky contacts at the metal/TiO{sub 2} interfaces. Dielectric analyses reveal two relaxation processes with degeneration of the activation energy. The low trap level of 0.60–0.65 eV is associated with the first ionized oxygen vacancy at low temperature, while the deep trap level of 1.05 eV is associated to the second ionized oxygen vacancy at high temperature. The DC conductivity of the films exhibits a transition temperature at 200 °C, suggesting a transition from a conduction regime governed by ionized oxygen vacancies to one governed by interstitial Ti{sup 3+} ions. Both the C–V anomalous and relaxation processes in TiO{sub 2} arise from oxygen vacancies, while the conduction mechanism at high temperature is governed by interstitial titanium ions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature

Here, cytochrome c oxidase (C c O), the terminal enzyme in the electron transfer chain, translocates protons across the inner mitochondrial membrane by harnessing the free energy generated by the reduction of oxygen to water. Several redox-coupled proton translocation mechanisms have been proposed, but they lack confirmation, in part from the absence of reliable structural information due to radiation damage artifacts caused by the intense synchrotron radiation. Here we report the room temperature, neutral pH (6.8), damage-free structure of bovine C c O (bC c O) in the carbon monoxide (CO)-bound state at a resolution of 2.3 Å, obtained by serial femtosecond X-ray crystallography (SFX) with an X-ray free electron laser. As a comparison, an equivalent structure was obtained at a resolution of 1.95 Å, from data collected at a synchrotron light source. In the SFX structure, the CO is coordinated to the heme a3 iron atom, with a bent Fe–C–O angle of ~142°. In contrast, in the synchrotron structure, the Fe–CO bond is cleaved; CO relocates to a new site near Cu B , which, in turn, moves closer to the heme a 3 iron by ~0.38 Å. Structural comparison reveals that ligand binding to the heme a 3 iron in the SFX structure is associated with an allosteric structural transition, involving partial unwinding of the helix-X between heme a and a 3 , thereby establishing a communication linkage between the two heme groups, setting the stage for proton translocation during the ensuing redox chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

IS THERE A METALLICITY CEILING TO FORM CARBON STARS?-A NOVEL TECHNIQUE REVEALS A SCARCITY OF C STARS IN THE INNER M31 DISK

We use medium-band near-infrared (NIR) Hubble Space Telescope WFC3 photometry with model NIR spectra of asymptotic giant branch (AGB) stars to develop a new tool for efficiently distinguishing carbon-rich (C-type) AGB stars from oxygen-rich (M-type) AGB stars in galaxies at the edge of and outside the Local Group. We present the results of a test of this method on a region of the inner disk of M31, where we find a surprising lack of C stars, contrary to the findings of previous C star searches in other regions of M31. We find only one candidate C star (plus up to six additional, less certain C star candidates), resulting in an extremely low ratio of C to M stars (C/M= (3.3{sup +20}{sub -0.1}) Multiplication-Sign 10{sup -4}) that is one to two orders of magnitude lower than other C/M estimates in M31. The low C/M ratio is likely due to the high metallicity in this region which impedes stars from achieving C/O > 1 in their atmospheres. These observations provide stringent constraints to evolutionary models of metal-rich AGB stars and suggest that there is a metallicity threshold above which M stars are unable to make the transition to C stars, dramatically affecting AGB mass loss and dust production and, consequently, the observed global properties of metal-rich galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ON THE MEASUREMENT OF THE {sup 13}C(α, n){sup 16}O S-FACTOR AT NEGATIVE ENERGIES AND ITS INFLUENCE ON THE s-PROCESS

The {sup 13}C(α, n){sup 16}O reaction is the neutron source for the main component of the s-process, responsible for the production of most of the nuclei in the mass range 90 ∼< A ∼< 208. This reaction takes place inside the helium-burning shell of asymptotic giant branch stars, at temperatures ∼< 10{sup 8} K, corresponding to an energy interval where the {sup 13}C(α, n){sup 16}O reaction is effective in the range of 140-230 keV. In this regime, the astrophysical S(E)-factor is dominated by the –3 keV sub-threshold resonance due to the 6.356 MeV level in {sup 17}O, giving rise to a steep increase in the S-factor. Its contribution is still controversial as extrapolations, e.g., through the R-matrix and indirect techniques such as the asymptotic normalization coefficient (ANC), yield inconsistent results. The discrepancy amounts to a factor of three or more precisely at astrophysical energies. To provide a more accurate S-factor at these energies, we have applied the Trojan horse method (THM) to the {sup 13}C({sup 6}Li, n {sup 16}O)d quasi-free reaction. The ANC for the 6.356 MeV level has been deduced through the THM as well as the n-partial width, allowing us to attain unprecedented accuracy for the {sup 13}C(α, n){sup 16}O astrophysical factor. A larger ANC for the 6.356 MeV level is measured with respect to the ones in the literature, (C-tilde{sub α{sup 1}{sup 3}C}{sup 17O(1/2+)2} = 7.7 ± 0.3{sub stat} {sub -1.5}{sup +1.}|6 norm fm{sup –1}, yet in agreement with the preliminary result given in our preceding letter, indicating an increase of the {sup 13}C(α, n){sup 16}O reaction rate below about 8 × 10{sup 7} K if compared with the recommended values. At ∼10{sup 8} K, our reaction rate agrees with most of the results in the literature and the accuracy is greatly enhanced thanks to this innovative approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Galactic chemical evolution and solar s-process abundances: Dependence on the {sup 13}C-pocket structure

We study the s-process abundances (A ≳ 90) at the epoch of the solar system formation. Asymptotic giant branch yields are computed with an updated neutron capture network and updated initial solar abundances. We confirm our previous results obtained with a Galactic chemical evolution (GCE) model: (1) as suggested by the s-process spread observed in disk stars and in presolar meteoritic SiC grains, a weighted average of s-process strengths is needed to reproduce the solar s distribution of isotopes with A > 130; and (2) an additional contribution (of about 25%) is required in order to represent the solar s-process abundances of isotopes from A = 90 to 130. Furthermore, we investigate the effect of different internal structures of the {sup 13}C pocket, which may affect the efficiency of the {sup 13}C(α, n){sup 16}O reaction, the major neutron source of the s process. First, keeping the same {sup 13}C profile adopted so far, we modify by a factor of two the mass involved in the pocket; second, we assume a flat {sup 13}C profile in the pocket, and we test again the effects of the variation of the mass of the pocket. We find that GCE s predictions at the epoch of the solar system formation marginally depend on the size and shape of the {sup 13}C pocket once a different weighted range of {sup 13}C-pocket strengths is assumed. We obtain that, independently of the internal structure of the {sup 13}C pocket, the missing solar system s-process contribution in the range from A = 90 to 130 remains essentially the same.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

[C II] 158 μm EMISSION AS A STAR FORMATION TRACER

The [C II] 157.74 μm transition is the dominant coolant of the neutral interstellar gas, and has great potential as a star formation rate (SFR) tracer. Using the Herschel KINGFISH sample of 46 nearby galaxies, we investigate the relation of [C II] surface brightness and luminosity with SFR. We conclude that [C II] can be used for measurements of SFR on both global and kiloparsec scales in normal star-forming galaxies in the absence of strong active galactic nuclei (AGNs). The uncertainty of the Σ{sub [C} {sub II]} – Σ{sub SFR} calibration is ±0.21 dex. The main source of scatter in the correlation is associated with regions that exhibit warm IR colors, and we provide an adjustment based on IR color that reduces the scatter. We show that the color-adjusted Σ{sub [C} {sub II]} – Σ{sub SFR} correlation is valid over almost five orders of magnitude in Σ{sub SFR}, holding for both normal star-forming galaxies and non-AGN luminous infrared galaxies. Using [C II] luminosity instead of surface brightness to estimate SFR suffers from worse systematics, frequently underpredicting SFR in luminous infrared galaxies even after IR color adjustment (although this depends on the SFR measure employed). We suspect that surface brightness relations are better behaved than the luminosity relations because the former are more closely related to the local far-UV field strength, most likely the main parameter controlling the efficiency of the conversion of far-UV radiation into gas heating. A simple model based on Starburst99 population-synthesis code to connect SFR to [C II] finds that heating efficiencies are 1%-3% in normal galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dependence of the boundary heat flux width on core and edge profiles in Alcator C-Mod

This work presents new evidence that the heat flux width, λ q , in the Alcator C-Mod tokamak scales with the edge electron pressure, as observed in the ASDEX Upgrade (AUG) tokamak, but the scaling with volume-averaged pressure, $\bar{p}$, from the plasma stored energy, is a better predictor of λ q in Alcator C-Mod than the edge electron pressure. These previous studies, which find that λ q decreases with increasing plasma pressure, imply that a high performance core at high pressure will lead to challenging heat and particle exhaust due to very small λ q . This concern has led to our significant enlargement of the C-Mod database with the electron density, temperature, and pressure profile data from the Thomson scattering and electron cyclotron emission diagnostics. Using the C-Mod database augmented with new profile data, we find that λ q decreases with increasing edge electron pressure as ${\lambda }_{q}\propto {p}_{\mathrm{e},95}^{-0.26}$, similar to results from AUG, and showing the strength of cross-machine comparisons. We also find that ${\lambda }_{q}\propto {p}_{\mathrm{e},\mathrm{c}\mathrm{o}\mathrm{r}\mathrm{e}}^{-0.56}$, consistent with the original finding from C-Mod that the heat flux width scales as ${\bar{p}}^{-0.48}$. The scalings of λ q with separatrix pressure and gradient scale length are found to match the AUG results qualitatively. The C-Mod scalings with edge plasma quantities have more scatter than the $\bar{p}$ scaling, and, importantly, show different trends for H-modes relative to L- and I-mode. Furthermore, investigating the source of this discrepancy presents an opportunity for further study that may improve our ability to predict the heat flux width in different confinement scenarios in the pursuit of optimizing core-edge performance in future reactors.

Alcator C-Mod↗
DOE OSTI2020

Fusion of 12 C+ 24 Mg far below the barrier: Evidence for the hindrance effect

Background: The phenomenon of fusion hindrance may have important consequences on the nuclear processes occurring in astrophysical scenarios, if it is a general behavior of heavy-ion fusion at extreme subbarrier energies, including reactions involving lighter systems, e.g., reactions in the carbon and oxygen burning stages of heavy stars. The hindrance is generally identified by the observation of a maximum of the S-factor vs energy. Whether there is an S-factor maximum at very low energies for systems with a positive fusion Q value is an experimentally challenging question. Purpose: Our aim has been to search for evidence of fusion hindrance in 12 C+ 24 Mg which is a medium-light m system with positive Q value for fusion, besides the heavier cases where hindrance is recognized to be a general phenomenon. 12 C+ 24 Mg is very close to the 16 O + 16 O and 12 C + 12 C systems that are important for the late evolution of heavy stars. Methods: The experiment has been performed in inverse kinematics using the 24 Mg beam from the XTU Tandem accelerator of LNL in the energy range 26-52 MeV with an intensity of 4-8 pnA. The targets were 12 C evaporations 50 mu g/cm 2 thick, isotopically enriched to 99.9%. The fusion-evaporation residues were detected at small angles by a E-Delta E-ToF detector telescope following an electrostatic beam deflector. Results: Previous measurements of fusion cross section for 12 C+ 24 Mg were limited to above-barrier energies. In the present experiment the excitation function has been extended down to similar or equal to 15 mu b and it appears that the S factor develops a clear maximum vs energy, indicating the presence of hindrance. This is the first convincing evidence of an S factor maximum in a medium-light system with a positive fusion Q value. These results have been fitted following a recently suggested method and a detailed analysis within the coupled-channels model that has been performed using a Woods-Saxon potential and including the ground state rotational band of 24 Mg. The coupled-channels calculations give a good account of the data near and above the barrier but overpredict the cross sections at very low energies. Conclusions: The hindrance phenomenon is clearly observed in 12 C+ 24 Mg, and its energy threshold is in reasonable agreement with the systematics observed for several medium-light systems. The fusion cross sections at the hindrance threshold show that the highest value (sigma(s) = 1.6 mb) is indeed found for this system. Therefore it may even be possible to extend the measurements further down in energy to better establish the position of the S-factor maximum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Prediction of the J C (B) Behavior of Bi-2212 Wires at High Field

Bi-2212 wires have been produced for much of the last decade with varying architectures, powder sources and great variability of final J c (B) properties. As Bi-2212 transitions from an R&D materials development to a magnet technology, means to predictably forecast J c (B) become increasingly valuable. Here we report on characterizations of short samples having J c (15T, 4.2 K) varying from 1210 to 6560 A/mm 2 , measured in fields up to 31 T, and drawn from 10 billets. Using both 4 K transport and variable temperature VSM measurements capable of probing the 20 K irreversibility field, B irr = μ 0 H k , we discovered that the vortex pinning properties are very stable across these wires, which all used the same standard powder composition (Bi 2.17 Sr 1.94 Ca 0.89 Cu 2.00 O 8+x ), even though it has been made by three different manufacturers over nine years. We conclude that a power-law fit J c ∝ B -α , where α = 0.280 (σ = 0.015), works well at 4.2 K over the field range of at least 3-30 T and that μ 0 H k (20 K) remains stable at 8.6 ± 0.4 T. We conclude that the dominant current limiting mechanism predicting J c (B) in Bi-2212 is the effective filament connectivity. J c (B) at high fields may thus be predicted by simple I c measurements at easily accessible fields in the 3-15 T range.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Grism Lens-Amplified Survey from Space (GLASS). XI. Detection of C iv in Multiple Images of the z = 6.11 Lyα Emitter behind RXC J2248.7–4431

The C iii] and C iv rest-frame UV emission lines are powerful probes of the ionization states of galaxies. They have furthermore been suggested as alternatives for spectroscopic redshift confirmation of objects at the epoch of reionization (z>6), where the most frequently used redshift indicator, Lyα, is attenuated by the high fraction of neutral hydrogen in the intergalactic medium. However, currently only very few confirmations of carbon UV lines at these high redshifts exist, making it challenging to quantify these claims. Here, we present the detection of C iv λλ1548, 1551 Å in Hubble Space Telescope slitless grism spectroscopy obtained by GLASS of a Lyα emitter at z = 6.11 multiply imaged by the massive foreground galaxy cluster RXC J2248.7–4431. The C iv emission is detected at the 3σ–5σ level in two images of the source, with marginal detection in two other images. We do not detect significant C iii]λλ1907, 1909 Å emission implying an equivalent width EW{sub CIII]}<20 Å (1σ) and C IV/C III>0.7 (2σ). Combined with limits on the rest-frame UV flux from the He ii λ1640 Å emission line and the O iii]λλ1661, 1666 Å doublet, we put constraints on the metallicity and the ionization state of the galaxy. The estimated line ratios and equivalent widths do not support a scenario where an AGN is responsible for ionizing the carbon atoms. SED fits, including nebular emission lines, imply a source with a mass of log(M/M {sub ⊙}) ∼ 9, SFR of around 10 M {sub ⊙} yr{sup −1}, and a young stellar population <50 Myr old. The source shows a stronger ionizing radiation field than objects with detected C iv emission at z<2 and adds to the growing sample of low-mass (log(M/M {sub ⊙}) ≲ 9) galaxies at the epoch of reionization with strong radiation fields from star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The Origin of [C ii] 157 μm Emission in a Five-component Interstellar Medium: The Case of NGC 3184 and NGC 628

With its relatively low ionization potential, C{sup +} can be found throughout the interstellar medium (ISM) and provides one of the main cooling channels of the ISM via the [C ii] 157 μm emission. While the strength of the [C ii] line correlates with the star formation rate, the contributions of the various gas phases to the [C ii] emission on galactic scales are not well established. In this study we establish an empirical multi-component model of the ISM, including dense H ii regions, dense photon dissociation regions (PDRs), the warm ionized medium (WIM), low density and G{sub 0} surfaces of molecular clouds (SfMCs), and the cold neutral medium (CNM). We test our model on ten luminous regions within the two nearby galaxies NGC 3184 and NGC 628 on angular scales of 500–600 pc. Both galaxies are part of the Herschel key program KINGFISH, and are complemented by a large set of ancillary ground- and space-based data. The five modeled phases together reproduce the observed [C ii] emission quite well, overpredicting the total flux slightly (about 45%) averaged over all regions. We find that dense PDRs are the dominating component, contributing 68% of the [C ii] flux on average, followed by the WIM and the SfMCs, with mean contributions of about half of the contribution from dense PDRs, each. CNM and dense H ii regions are only minor contributors with less than 5% each. These estimates are averaged over the selected regions, but the relative contributions of the various phases to the [C ii] flux vary significantly between these regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Assessing effects of permafrost thaw on C fluxes based on multiyear modeling across a permafrost thaw gradient at Stordalen, Sweden

Northern peatlands in permafrost regions contain a large amount of organic carbon (C) in the soil. Climate warming and associated permafrost degradation are expected to have significant impacts on the C balance of these ecosystems, but the magnitude is uncertain. We incorporated a permafrost model, Northern Ecosystem Soil Temperature (NEST), into a biogeochemical model, DeNitrification-DeComposition (DNDC), to model C dynamics in high-latitude peatland ecosystems. The enhanced model was applied to assess effects of permafrost thaw on C fluxes of a subarctic peatland at Stordalen, Sweden. DNDC simulated soil freeze–thaw dynamics, net ecosystem exchange of CO 2 (NEE), and CH 4 fluxes across three typical land cover types, which represent a gradient in the process of ongoing permafrost thaw at Stordalen. Model results were compared with multiyear field measurements, and the validation indicates that DNDC was able to simulate observed differences in seasonal soil thaw, NEE, and CH 4 fluxes across the three land cover types. Consistent with the results from field studies, the modeled C fluxes across the permafrost thaw gradient demonstrate that permafrost thaw and the associated changes in soil hydrology and vegetation not only increase net uptake of C from the atmosphere but also increase the annual to decadal radiative forcing impacts on climate due to increased CH 4 emissions. This study indicates the potential of utilizing biogeochemical models, such as DNDC, to predict the soil thermal regime in permafrost areas and to investigate impacts of permafrost thaw on ecosystem C fluxes after incorporating a permafrost component into the model framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

CICE on a C-grid: new momentum, stress, and transport schemes for CICEv6.5

Abstract. This article presents the C-grid implementation of the CICE sea ice model, including the C-grid discretization of the momentum equation, the boundary conditions (BCs), and the modifications to the code required to use the incremental remapping transport scheme. To validate the new C-grid implementation, many numerical experiments were conducted and compared to the B-grid solutions. In idealized experiments, the standard advection method (incremental remapping with C-grid velocities interpolated to the cell corners) leads to a checkerboard pattern. A modal analysis demonstrates that this computational noise originates from the spatial averaging of C-grid velocities at corners. The checkerboard pattern can be eliminated by adjusting the departure regions to match the divergence obtained from the solution of the momentum equation. We refer to this novel approach as the edge flux adjustment (EFA) method. The C-grid discretization with edge flux adjustment allows for transport in channels that are one grid cell wide – a capability that is not possible with the B-grid discretization nor with the C-grid and standard remapping advection. Simulation results match the predicted values of a novel analytical solution for one-grid-cell-wide channels.

Lemieux, Jean-François (ORCID:0000000320845759)↗
NASA NTRS1974

2200 C oxidizing atmosphere furnace for space manufacturing

The design of a high temperature furnace is presented which uses electrically conducting ceramic oxide heating elements. The heating elements are made of either thoria or stabilized zirconia which become conductive when preheated to 700 to 1000 C. These heater elements can be operated to 2200 C in oxidizing or inert atmospheres. The furnace is being designed to have a temperature which can be controlled to within 11 C. By a replacement of the heater element, the working cavity can be changed from isothermal to a cavity with a selected specific axial temperature gradient of up to 200 C per centimeter. This furnace concept is appropriate for the growth of crystals which might be grown best in an oxidizing atmosphere such as sapphire (melting point 2040 C), yttrium aluminum garnet (1970 C) or yttrium orthoaluminate (1875 C).

Halbach, C. R.↗