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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Selective One-Dimensional 13 C– 13 C Spin-Diffusion Solid-State Nuclear Magnetic Resonance Methods to Probe Spatial Arrangements in Biopolymers Including Plant Cell Walls, Peptides, and Spider Silk

Two-dimensional (2D) and 3D through-space 13 C– 13 C homonuclear spin-diffusion techniques are powerful solid-state nuclear magnetic resonance (NMR) tools for extracting structural information from 13 C-enriched biomolecules, but necessarily long acquisition times restrict their applications. In this work, we explore the broad utility and underutilized power of a chemical shift-selective one-dimensional (1D) version of a 2D 13 C– 13 C spin-diffusion solid-state NMR technique. The method, which is called 1D dipolar-assisted rotational resonance (DARR) difference, is applied to a variety of biomaterials including lignocellulosic plant cell walls, microcrystalline peptide fMLF, and black widow dragline spider silk. 1D 13 C– 13 C spin-diffusion methods described here apply in select cases in which the 1D 13 C solid-state NMR spectrum displays chemical shift-resolved moieties. Furthermore, this is analogous to the selective 1D nuclear Overhauser effect spectroscopy (NOESY) experiment utilized in liquid-state NMR as a faster (1D instead of 2D) and often less ambiguous (direct sampling of the time domain data, coupled with increased signal averaging) alternative to 2D NOESY. Selective 1D 13 C– 13 C spin-diffusion methods are more time-efficient than their 2D counterparts such as proton-driven spin diffusion (PDSD) and dipolar-assisted rotational resonance. The additional time gained enables measurements of 13 C– 13 C spin-diffusion buildup curves and extraction of spin-diffusion time constants TSD, yielding detailed structural information. Specifically, selective 1D DARR difference buildup curves applied to 13 C-enriched hybrid poplar woody stems confirm strong spatial interaction between lignin and acetylated xylan polymers within poplar plant secondary cell walls, and an interpolymer distance of ~0.45–0.5 nm was estimated. Additionally, Tyr/Gly long-range correlations were observed on isotopically enriched black widow spider dragline silks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Search for the doubly heavy baryons $ {{{{\varOmega}_{bc}^{0}}}} $ and $ {{{{\varXi}_{bc}^{0}}}} $ decaying to $ {{{{\varLambda}^+_c}}} {{{{\pi}^-}}} $ and $ {{{{\varXi}^+_c}}} {{{{\pi}^-}}} $ *

The first search for the doubly heavy $ {{{{\varOmega}_{bc}^{0}}}} $ baryon and a search for the $ {{{{\varXi}_{bc}^{0}}}} $ baryon are performed using $ pp $ collision data collected via the $ {\rm{LHCb}} $ experiment from 2016 to 2018 at a centre-of-mass energy of $ 13 \;{\rm{TeV}} $, corresponding to an integrated luminosity of 5.2 $ \;{\rm{f}}{{\rm{b}}^{ - 1}} $. The baryons are reconstructed via their decays to $ {{{{\varLambda}^+_c}}} {{{{\pi}^-}}} $ and $ {{{{\varXi}^+_c}}} {{{{\pi}^-}}} $. No significant excess is found for invariant masses between 6700 and 7300 $ \;{\rm{MeV}}/{c^2} $, in a rapidity range from 2.0 to 4.5 and a transverse momentum range from 2 to 20 $ \;{\rm{MeV}}/{c} $. Upper limits are set on the ratio of the $ {{{{\varOmega}_{bc}^{0}}}} $ and $ {{{{\varXi}_{bc}^{0}}}} $ production cross-section times the branching fraction to $ {{{{\varLambda}^+_c}}}{{{{\pi}^-}}} $ ( $ {{{{\varXi}^+_c}}}{{{{\pi}^-}}} $) relative to that of the $ {{{{\varLambda}^0_b}}} $ ( $ {{{{\varXi}_{b}^{0}}}} $) baryon, for different lifetime hypotheses, at 95% confidence level. The upper limits range from $ 0.5\times10^{-4} $ to $ 2.5\times10^{-4} $ for the $ {{{{{{{{\varOmega}_{bc}^{0}}}}{{\rightarrow }}{{{{\varLambda}^+_c}}}{{{{\pi}^-}}}}}}} $ ( $ {{{{{{{{\varXi}_{bc}^{0}}}}{{\rightarrow }}{{{{\varLambda}^+_c}}}{{{{\pi}^-}}}}}}} $) decay, and from $ 1.4\times10^{-3} $ to $ 6.9\times10^{-3} $ for the $ {{{{{{{{\varOmega}_{bc}^{0}}}}{{\rightarrow }}{{{{\varXi}^+_c}}}{{{{\pi}^-}}}}}}} $ ( $ {{{{{{{{\varXi}_{bc}^{0}}}}{{\rightarrow }}{{{{\varXi}^+_c}}}{{{{\pi}^-}}}}}}} $) decay, depending on the considered mass and lifetime of the $ {{{{\varOmega}_{bc}^{0}}}} $ ( $ {{{{\varXi}_{bc}^{0}}}} $) baryon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the branching fraction of Ξ c 0 → Λ c + π - at Belle

Based on a data sample of 983 fb -1 collected with the Belle detector at the KEKB asymmetric-energy e + ⁢e - collider, we present the study of the heavy-flavor-conserving decay Ξ$^{0}_{c}$ → Λ$^{+}_{c}$⁢π - with Λ$^{+}_{c}$ reconstructed via its p⁢K - π + decay mode. The branching fraction ratio $\mathscr{B}$⁡(Ξ$^{0}_{c}$ → Λ$^{+}_{c}$⁢π - )/$\mathscr{B}$⁡(Ξ$^{0}_{c}$ → Ξ - π + ) is measured to be 0.38 ±0.04 ±0.04. Combining with the world average value of $\mathscr{B}$(Ξ$^{0}_{c}$ → Ξ - π + ), the branching fraction $\mathscr{B}$⁡(Ξ$^{0}_{c}$ → Λ$^{+}_{c}$⁢π - ) is deduced to be (0.54 ±0.05 ±0.05 ±0.12)%. Here, the uncertainties above are statistical, systematic, and from $\mathscr{B}$⁡(Ξ$^{0}_{c}$ → Ξ - π + ), respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

First observation of Λ c + → Λ K + π 0 and evidence of Λ c + → Λ K + π + π −

We present the first observation of the singly Cabibbo-suppressed decay Λ c + → Λ K + π 0 with a significance of 5.7 σ and the first evidence of Λ c + → Λ K + π + π − decay with a significance of 3.1 σ , based on e + e − annihilation data recorded by the BESIII detector at the BEPCII collider. The data correspond to an integrated luminosity of 6.4 fb − 1 , in the center-of-mass energy range from 4.600 to 4.950 GeV. We determine the branching fractions of Λ c + → Λ K + π 0 and Λ c + → Λ K + π + π − relative to their Cabibbo-favored counterparts to be B ( Λ c + → Λ K + π 0 ) B ( Λ c + → Λ π + π 0 ) = ( 2.09 ± 0.3 9 stat ± 0.0 7 syst ) × 10 − 2 and B ( Λ c + → Λ K + π + π − ) B ( Λ c + → Λ π + π + π − ) = ( 1.13 ± 0.4 1 stat ± 0.0 6 syst ) × 10 − 2 , respectively. Moreover, by combining our measured result with the world average of B ( Λ c + → Λ π + π 0 ) , we obtain the branching fraction B ( Λ c + → Λ K + π 0 ) = ( 1.49 ± 0.2 7 stat ± 0.0 5 syst ± 0.0 8 ref ) × 10 − 3 . This result significantly departs from theoretical predictions based on quark S U ( 3 ) flavor symmetry, which is underpinned by the presumption of meson pair S -wave amplitude dominance. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2023

Measurement of the branching fractions of the singly Cabibbo-suppressed decays $$ {\Lambda}_{\textrm{c}}^{+}\to \textrm{p}\eta $$ and $$ {\Lambda}_{\textrm{c}}^{+}\to \textrm{p}\omega $$

Abstract Based on 4.5 fb −1 e + e − collision data collected with BESIII detector at seven energy points between 4.600 and 4.699 GeV, the branching fractions for$$ {\Lambda}_c^{+}\to p\eta $$ Λ c + → pη and$$ {\Lambda}_c^{+}\to p\omega $$ Λ c + → pω were measured by means of single-tag method. The branching fractions of$$ {\Lambda}_c^{+}\to p\eta $$ Λ c + → pη and$$ {\Lambda}_c^{+}\to p\omega $$ Λ c + → pω are determined to be (1.57±0.11 stat ±0.04 syst )×10 −3 and (1.11±0.20 stat ±0.07 syst )×10 −3 , with a statistical significance of greater than 10σand 5.7σ, respectively. These results are consistent with the previous measurements by BESIII, LHCb and Belle, and the result of$$ {\Lambda}_c^{+}\to p\eta $$ Λ c + → pη is the most precise to date.

Physics↗
DOE OSTI2020

A Direct Ammonia Fuel Cell with a KOH-Free Anode Feed Generating 180 mW cm −2 at 120 °C

The motivations to operate the direct ammonia fuel cell (DAFC) with no addition of aqueous base, include facilitated fuel management and prevention of corrosion and shunt currents in the DAFC stack. We describe here a polymer electrolyte DAFC, operating at a cell temperature (T cell ) of 120 °C on ammonia and water alone as anode feed, that demonstrated peak power of 180 mW cm −2 —a record for this type of fuel cell. We offer a detailed analysis of polarization curves recorded for PE-DAFCs in the T cell range of 60 °C–120 °C, allowing to estimate the effects of KOH-free operation on the ionic and faradaic resistances, R i and R F , that determine together the value of R app , CL – an , the apparent resistance of the anode catalyst layer. The latter resistance drops ten times between 60 °C and 120 °C as result mainly of the drop in R F . Consequently, DAFC performance at T cell > 100 °C improves substantially, including the cell performance on a KOH-free anode feed. The demsontrated performance levels reported here for KOH-free DAFCs support further development of this type of ammonia/air fuel cells.

Achrai, Ben↗
DOE OSTI2024

High Temperature Tensile Testing of Molybdenum Before and After Exposure in Flowing He at 600°C to 1000°C

ORNL supported NorthStar Medical Radioisotope’s accelerator-based concept to produce the medical isotope molybdenum-99 (Mo-99). The Mo targets are expected to experience in the accelerator temperature ranging from 200°C to 1000°C, and previous studies have demonstrated the embrittlement of Mo targets at room temperature when exposed to impure He at 800 to 1000°C. The goal of this project was to evaluate potential embrittlement at temperature ranging from 600°C to 1000°C for three Mo materials exposed at the same temperatures for 100h in high purity He (O 2 < 5ppm (µl/l)) with a flow rate of ~1m/s. Enriched Mo-100 (aMo) and conventional pressed and sintered Mo (UHP) disks were provided by NorthStar while low carbon arc cast rolled Mo, fabricated at ORNL, was used for comparison. The as fabricated rolled Mo exhibited superior tensile strength due to the alloy very fine grain size with limited ductility except at 1000°C with the elongation at rupture reaching 30%. The UHP Mo disks showed the lowest strength but highest ductility at 20-1000°C with significant strain hardening during tensile testing. The ductility of the aMo material was quite low at all temperatures due to a high density of voids at grain boundaries. Significant embrittlement of the aMo material was observed after exposure at 600°C to 1000°C, most likely because of oxygen diffusion and segregation at grain boundaries. No embrittlement was observed for the UHP Mo material, with excellent elongation at rupture for some of the specimens oxidized in He and tested at 600-1000°C. Significant variation in ductility from one UHP Mo specimen to another was, however, measured, both in the as fabricated and He-oxidized conditions. The rolled Mo was not affected by oxidation in He at 800°C, but a decrease in strength and increase in ductility was observed at 1000°C, likely due to the material recrystallization.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electrochemical Activation of C–C Bonds via Mediated Hydrogen Atom Transfer Reactions

Activating inert sp 3 -sp 3 carbon-carbon (C-C) bonds remains a major bottleneck in the chemical upcycling of recalcitrant polyolefin waste. Here, we use redox mediators to activate the inert C-C bonds. Specifically, we use N -hydroxyphthalimide (NHPI) as the redox mediator that is oxidized to phthalimide- N -oxyl (PINO) radical to initiate hydrogen atom transfer (HAT) reactions with benzylic C-H bonds. The resulting carbon radical is readily captured by molecular oxygen to form a peroxide that decomposes into oxygenated C-C bond-scission fragments. This indirect approach reduces the oxidation potential by > 1.2 V compared to the direct oxidation of the substrate. Studies with model compounds revealed the selectivity of C-C bond cleavage increases with decreasing C-C bond dissociation energy. With NHPI-mediated oxidation, oligomeric styrene ( M n = 510 Da, OS 510 ) and polystyrene (PS, ~10,000 Da) were converted into oxygenated monomers, dimers, and oligomers.

09 BIOMASS FUELS↗
DOE OSTI2024

Search for η c ( 2 S ) → 2 ( π + π − ) and improved measurement of χ c J → 2 ( π + π − )

We search for the hadronic decay η c ( 2 S ) → 2 ( π + π − ) in the ψ ( 3686 ) → γ η c ( 2 S ) radiative decay using ( 27.12 ± 0.14 ) × 10 8 ψ ( 3686 ) events collected by the BESIII detector at the BEPCII collider. No significant signal is found, and the upper limit of B [ ψ ( 3686 ) → γ η c ( 2 S ) ] B [ η c ( 2 S ) → 2 ( π + π − ) ] is determined to be 1.43 × 10 − 6 at the 90% confidence level. Using ψ ( 3686 ) → γ χ c J transitions, we also measure the branching fractions of B [ χ c J ( J = 0 , 1 , 2 ) → 2 ( π + π − ) ] , which are B [ χ c 0 → 2 ( π + π − ) ] = ( 2.127 ± 0.002 ( stat ) ± 0.101 ( syst ) ) % , B [ χ c 1 → 2 ( π + π − ) ] = ( 0.685 ± 0.001 ( stat ) ± 0.031 ( syst ) ) % , and B [ χ c 2 → 2 ( π + π − ) ] = ( 1.153 ± 0.001 ( stat ) ± 0.063 ( syst ) ) % . Published by the American Physical Society 2024

Ablikim, M.↗
DOE OSTI2025

Search for η c ( 2 S ) → p p ¯ K + K − and measurement of χ c J → p p ¯ K + K − in ψ ( 3686 ) radiative decays

A search for η c ( 2 S ) → p p ¯ K + K − , together with measurement of branching fractions of χ c J ( J = 0 , 1 , 2 ) → p p ¯ K + K − in the ψ ( 3686 ) → γ η c ( 2 S ) and the ψ ( 3686 ) → γ χ c J radiative decays, is performed with ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at the BEPCII collider. An evidence for η c ( 2 S ) → p p ¯ K + K − is found, with a significance of 3.3 σ . The product branching fraction of B [ ψ ( 3686 ) → γ η c ( 2 S ) ] · B [ η c ( 2 S ) → p p ¯ K + K − ] is determined to be ( 1.98 ± 0.4 1 stat ± 0.9 9 syst ) × 10 − 7 . The product branching fractions of B [ ψ ( 3686 ) → γ χ c J ] · B [ χ c J → p p ¯ K + K − ] are measured to be ( 2.49 ± 0.0 3 stat ± 0.1 5 syst ) × 10 − 5 , ( 1.83 ± 0.0 2 stat ± 0.1 1 syst ) × 10 − 5 , and ( 2.43 ± 0.0 2 stat ± 0.1 5 syst ) × 10 − 5 , for J = 0 , 1, and 2, respectively. Published by the American Physical Society 2025

Ablikim, M.↗
DOE OSTI2024

Updated measurements of the M1 transition ψ ( 3686 ) → γ η c ( 2 S ) with η c ( 2 S ) → K K ¯ π

Based on a data sample of ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at the BEPCII collider, the M1 transition ψ ( 3686 ) → γ η c ( 2 S ) with η c ( 2 S ) → K K ¯ π is studied, where K K ¯ π is K + K − π 0 or K S 0 K ± π ∓ . The mass and width of the η c ( 2 S ) are measured to be ( 3637.8 ± 0.8 ( stat ) ± 0.2 ( syst ) ) MeV / c 2 and ( 10.5 ± 1.7 ( stat ) ± 3.5 ( syst ) ) MeV , respectively. The product branching fraction B ( ψ ( 3686 ) → γ η c ( 2 S ) ) × B ( η c ( 2 S ) → K K ¯ π ) is determined to be ( 0.97 ± 0.06 ( stat ) ± 0.09 ( syst ) ) × 10 − 5 . Using B ( η c ( 2 S ) → K K ¯ π ) = ( 1.8 6 − 0.49 + 0.68 ) % , we obtain the branching fraction of the radiative transition to be B ( ψ ( 3686 ) → γ η c ( 2 S ) ) = ( 5.2 ± 0.3 ( stat ) ± 0.5 ( syst ) − 1.4 + 1.9 ( extr ) ) × 10 − 4 , where the third uncertainty is due to the quoted B ( η c ( 2 S ) → K K ¯ π ) . Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Observation of η c ( 1 S , 2 S ) and χ c J decays to 2 ( π + π − ) η via ψ ( 3686 ) radiative transitions

Based on ( 2712.4 ± 14.1 ) × 10 6 ψ ( 3686 ) decays collected with the BESIII detector, we have observed, for the first time, the hadronic decays of S- and P-wave charmonium states into 2 ( π + π − ) η via radiative transitions from ψ ( 3686 ) . The branching fraction of the decay η c ( 1 S ) → 2 ( π + π − ) η has a significant dependence on the interference pattern between η c ( 1 S ) and non- η c ( 1 S ) processes. We measure it in both the destructive and constructive interference scenarios for the first time. The mass and width of the η c ( 1 S ) are measured to be M = ( 2984.14 ± 0.13 ± 0.38 ) MeV / c 2 and Γ = ( 28.82 ± 0.11 ± 0.82 ) MeV , respectively. Clear signals for the decays of the χ c J ( J = 0 , 1 , 2 ) and the η c ( 2 S ) to 2 ( π + π − ) η are also observed for the first time, and the corresponding branching fractions are measured. The ratio of the branching fractions between the η c ( 2 S ) and η c ( 1 S ) decays is significantly lower than the theoretical prediction, which might suggest different dynamics in their decays. Published by the American Physical Society 2025

Ablikim, M.↗
DOE OSTI2025

Multiplicity dependence of ${\Xi }_{\text{c}}^{+}$ and ${\Xi }_{\text{c}}^{0}$ production in pp collisions at $\sqrt{s}=13$ TeV

The first measurement at midrapidity (|y| < 0.5) of the production yield of the strange-charm baryons $Ξ$$^{+}_{c}$ and $Ξ$$^{0}_{c}$ as a function of transverse momentum (p T ) in different charged-particle multiplicity classes in proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ALICE experiment at the LHC is reported. The $Ξ$$^{+}_{c}$ baryon is reconstructed via the $Ξ$$^{+}_{c}$ → $Ξ$ – π + π + decay channel in the range 4 < p T < 12 GeV/c, while the $Ξ$$^{0}_{c}$ baryon is reconstructed via both the $Ξ$$^{0}_{c}$ → $Ξ$ – π + and $Ξ$$^{0}_{c}$ → $Ξ$ – e + ν e decay channels in the range 2 < p T < 12 GeV/c. The baryon-to-meson ($Ξ$$^{0}_{c}$ + /D 0 ) and the baryon-to-baryon ($Ξ$$^{0}_{c}$ + /Λ$^{+}_{c}$) production yield ratios show no significant dependence on multiplicity. In addition, the observed yield ratios are not described by theoretical predictions that model charm-quark fragmentation based on measurements at e + e − and e − p colliders, indicating differences in the charm-baryon production mechanism in pp collisions. A comparison with different event generators and tunings, including different modelling of the hadronisation process, is also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Gas-Phase Study of the Elementary Reaction of the D1-Ethynyl Radical (C 2 D; X 2 Σ + ) with Propylene (C 3 H 6 ; X 1 A') under Single-Collision Conditions

The bimolecular gas-phase reactions of the D1-ethynyl radical (C 2 D; X 2 Σ + ) with propylene (C 3 H 6 ; X 1 A’) and partially substituted D3-3,3,3-propylene (C 2 H 3 CD 3 ; X 1 A’) were studied under single collision conditions utilizing the crossed molecular beams technique. Combining our laboratory data with electronic structure and statistical calculations, the D1-ethynyl radical is found to add without barrier to the C1 and C2 carbons of the propylene reactant, resulting in doublet C 5 H 6 D intermediate(s) with lifetime(s) longer than their rotational period(s). These intermediates undergo isomerization and unimolecular decomposition via atomic hydrogen loss through tight exit transition states forming predominantly cis/trans-3-penten-1-yne ((HCC)CH=CH(CH 3 )) and to a minor amount 3-methyl-3-buten-1-yne ((HCC)C(CH 3 )=CH 2 ) via overall exoergic reactions. Although the title reaction does not lead to the cyclopentadiene molecule (c-C 5 H 6 , X 1 A 1 ), high temperature environments can convert the identified acyclic C 5 H 6 isomers through hydrogen atom assisted isomerization to cyclopentadiene (c-C 5 H 6 , X 1 A 1 ). Since both the ethynyl radical and propylene reactants have been observed in cold interstellar environments such as TMC-1 and the reaction is exoergic and all barriers lie below the energy of the separated reactants, the these C 5 H 6 product isomers are predicted to form in those low temperature regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Promoting the cleavage of C-O bonds at the interface between a metal oxide cluster and a Co(0001) support

As a first step toward the rational design of Co-based catalysts with a higher activity and selectivity, we determine how one can activate a C-O bond at the interface between a metal oxide cluster and a Co(0001) support. The hypothesis here is that the metal ions in metal oxide clusters on a Co(0001) support enhance the adsorption of CO and weaken the C-O bond strength, which can then facilitate the dissociation of the CO reactant. To test this hypothesis, we developed three computational models of Ti4O8/Co(0001), Zr4O8/Co(0001), and Mn8O8/Co(0001). We quantify the CO adsorption behavior at the interface sites between an oxide cluster and the Co(0001) support as well as the corresponding IR spectra. We correlate the computed CO stretch frequencies with their CO adsorption energies, as well as the CO stretch frequency with the C-O bond length, and related these findings to the changes in the chemical bonding in the bound CO. The interface is the most favorable site for CO adsorption. Adsorption results in an increase of the C-O bond length and a decrease in its vibrational frequency. From a chemical bonding analysis, the bond order in CO at this site drops from 3 (in the gas phase) to 1. This decrease in bond order is a necessary precursor stage for CO dissociation. The experimental measurements of the corresponding FTIR spectra support this point. The favorability of CO adsorption at the interface sites is due to an electron transfer from the metal ion in the metal oxide cluster to the O atom in CO. We establish a linear relationship between C-O bond length and CO frequency and this relationship is found to be independent of the support, type of metal oxide cluster, or the adsorption site.

Fischer-Tropsch Synthesis, Heterogeneous Catalysis↗
DOE OSTI2020

Microstructural evolution of a silicon carbide-carbon coated nanostructured ferritic alloy composite during in-situ Kr ion irradiation at 300°C 450°C

This work focuses on irradiation behaviors of a novel silicon carbide and carbon coated nanostructured ferritic alloy (SiC-C@NFA) composite for potential applications as a cladding and structural material for next generation nuclear reactors. The SiC-C@NFA samples were irradiated with 1 MeV Kr ions up to 10 dpa at 300 and 450 °C. Microstructures and defect evolution were studied in-situ at the IVEM-Tandem facility at Argonne National Laboratory. The effects of ion irradiation on various phases such as α-ferrite matrix, (Fe,Cr) 7 C 3 , and (Ti,W)C precipitates were evaluated. The α-ferrite matrix showed a continuous increase in dislocation density along with spatial ordering of dislocation loops (or loop strings) at >5 dpa. The size of the dislocation loops at 450 °C was larger than that at 300 °C. The nucleation and growth of new (Ti,W)C precipitates in α-ferrite grains were enhanced with the ion dose at 450 °C. This study provides new insight into the irradiation resistance of the SiC-C@NFA system.

(FeCr)(7)C-3↗
DOE OSTI2025

Light-Promoted C(sp 3 )–C(sp 3 ) Reductive Elimination from Dialkyl NiII Complexes

Ni-catalyzed cross-coupling is a powerful strategy to forge C(sp 3 )–C(sp 3 ) bonds. Typically, to do so requires overcoming a challenging C–C bond-forming reductive elimination, often enabled by the intermediacy of highly oxidized Ni species or outer-sphere processes. While direct C(sp 3 )–C(sp 3 ) reductive elimination from the Ni II base oxidation state is normally thermally inaccessible, light-activation provides an avenue to affect such transformations. Here, we investigate the mechanism of light-induced C(sp 3 )–C(sp 3 ) bond formation from dialkyl bipyridine Ni II complexes through a variety of organometallic, spectroscopic, and computational studies. Wavelength-dependent quantum yields, ligand electronics–reactivity relationships, excited-state lifetimes, computed barriers, and product distributions from crossover studies support a photolysis/radical rebound mechanism. Furthermore, this reactivity paradigm complements existing strategies in the literature to promote reductive elimination from Ni II , such as the use of destabilizing, sterically hindered ligands and reduction of electron density at Ni through the binding of electron-deficient olefins. Hence, we envision that light-induced reductive elimination may enable the development of challenging C(sp 3 )–C(sp 3 ) couplings.

Alkyls↗