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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
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 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↗
NASA NTRS1993

Determination of (C-12)/(C-13) in the interstellar medium toward Zeta Ophiuchi and Xi Persei

The Lick Observatory Reticon (LOR) data presented in Hawkins et al. (1985) are reanalyzed in order to determine the cause of the significant discrepancy in (C-12)/(C-13) isotope ratios determined on the basis of observations of this isotope in the interstellar medium toward Zeta Ophiuchi and Xi Persei. A new set of Lick Observatory observations toward Zeta Oph are obtained using a CCD detector. The KPNO coude feed echelle spectrograph and a CCD detector are used to carry out high-resolution, high SNR ratio observations toward Zeta Oph and Xi Per. The LOR results for Zeta Oph are uncertain, ranging to 40 to 60, owing to the error in continuum placement. The KPNO results toward Zeta Oph are (C-12)H/(C-13)H(+)(0, 0) = 63 +/- 8, (C-12)H(+)/(C-13)H(+)(1, 0) = 67 +/- 19, and (C-12)N/(C-13)N = 100 + 88/- 33. Toward Xi Per, the KPNO measurements yield (C-12)H(+)/(C-13)H(+) = 49 +/- 15 from the 4232-A band, and a lower limit of 45 from the 3957-A observations.

Hawkins, Isabel↗
DOE OSTI2025

Observation of the Charmonium Decay η c → γ γ in J / ψ → γ η c

Using ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at the BEPCII collider, the decay η c → γ γ in J / ψ → γ η c is observed. We determine the product branching fraction B ( J / ψ → γ η c ) × B ( η c → γ γ ) = ( 5.23 ± 0.2 6 stat ± 0.3 0 syst ) × 10 − 6 . This result is consistent with the lattice QCD calculation ( 5.34 ± 0.16 ) × 10 − 6 from HPQCD in 2023. By using the world-average values of B ( J / ψ → γ η c ) and the total decay width of η c , the partial decay width Γ ( η c → γ γ ) is determined to be ( 11.30 ± 0.5 6 stat ± 0.6 6 syst ± 1.1 4 ref ) keV , which deviates from the corresponding world-average value by 3.4 σ . Published by the American Physical Society 2025

Ablikim, M.↗
NASA NTRS1993

Comparison of reflectance spectra of C asteroids and unique C chondrites Y86720, Y82162, and B7904

Reflectance spectra (0.3-2.6 microns) of 11 carbonaceous (C) chondrite powders (less than 100 or less than 125 microns) including 'unique' ones Y86720, Y82162, and B7904, have been measured and compared with those of 14 C asteroids. Among those C chondrites, only three 'unique' ones had close counterparts among C asteroids (Y86720 and 1 Ceres, Y82162 and 704 Interamnia, and B7904 and 31 Euphrosyne). Mixing calculations of those C chondrites by Hapke's isotropic model were also performed to improve fits of reflectance spectra of all the 14 C asteroids. If the grain-size distributions of those asteroid surfaces are similar to those C chondrite powders, the result suggests that all tested C asteroids contain a high amount of heated C chondrite material, such as Y86720, Y82162, and B7904.

Hiroi, T.↗
DOE OSTI2025

Search for resonance-enhanced C P and angular asymmetries in the Λ c + → p μ + μ − decay at LHCb

The first measurement of the C P asymmetry of the decay rate ( A C P ) and the C P average ( Σ A FB ) and C P asymmetry ( Δ A FB ) of the forward-backward asymmetry in the muon system of Λ c + → p μ + μ − decays is reported. The measurement is performed using a data sample of proton-proton collisions, recorded by the LHCb experiment from 2016 to 2018 at a center-of-mass energy of 13 TeV, which corresponds to an integrated luminosity of 5.4 fb − 1 . The asymmetries are measured in two regions of dimuon mass near the ϕ -meson mass peak. The dimuon-mass integrated results are A C P = ( − 1.1 ± 4.0 ± 0.5 ) % , Σ A FB = ( 3.9 ± 4.0 ± 0.6 ) % , Δ A FB = ( 3.1 ± 4.0 ± 0.4 ) % , where the first uncertainty is statistical and the second systematic. The results are consistent with the conservation of C P symmetry and the Standard Model expectations. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2024

Measurement of Λ b 0 , Λ c + , and Λ Decay Parameters Using Λ b 0 → Λ c + h − Decays

A comprehensive study of the angular distributions in the bottom-baryon decays Λ b 0 → Λ c + h − ( h = π , K ) , followed by Λ c + → Λ h + with Λ → p π − or Λ c + → p K S 0 decays, is performed using a data sample of proton-proton collisions corresponding to an integrated luminosity of 9 fb − 1 collected by the LHCb experiment at center-of-mass energies of 7, 8, and 13 TeV. The decay parameters and the associated charge-parity ( C P ) asymmetries are measured, with no significant C P violation observed. For the first time, the Λ b 0 → Λ c + h − decay parameters are measured. The most precise measurements of the decay parameters α , β , and γ are obtained for Λ c + decays and an independent measurement of the decay parameters for the strange-baryon Λ decay is provided. The results deepen our understanding of weak decay dynamics in baryon decays. © 2024 CERN, for the LHCb Collaboration 2024 CERN

Aaij, R. (ORCID:0000000305331952)↗
NASA NTRS1972

Boundary lubrication of formulated C-ether in air to 300 deg C. 1: Phosphorus ester additives

Friction and wear measurements were made on CVM M-50 steel lubricated with three C-ether (modified polyphenyl ether) formulations in dry and wet air. 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, a 17-meter-perminute (100-rpm) surface speed, and a 25 to 300 C (77 to 572 F) disk temperature range. The C-ether base fluid and the three formulated C-ether fluids yielded lower wear than the Type 2 ester over the entire temperature range. All C-ether fluids exhibited slightly higher friction coefficients than the ester from 150 to 300 C (302 to 572 F) and similar values from 25 to 150 C (77 to 302 F). In general, lower wear rates were observed with the C-ethers when tested in wet air as compared to a dry air atmosphere.

Jones, W. R., Jr.↗
NASA NTRS1975

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

Six C-ether formulations (containing organic acid and phosphorus ester additives) were tested in dry (less than 100 ppm H2O) and moist air (relative humidity 50 percent at 25 C) and temperatures from 25 to 300 C, in order to determine the boundary lubricating characteristics and to compare these results to those obtained with a fully formulated Type II ester and the unformulated C-ether base fluid. The apparatus, procedures and detailed results of the test are described. Friction and wear measurements were made on CVM M-50 steel under 1 kg load and 17 meter per minute (100 rpm) surface speed conditions, for a duration of 25 minutes. In general, 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, furthermore, in most test conditions the C-ether base fluid and the six C-ether formulations yielded lower wear than the ester. Possible applications in the aerospace industry are mentioned.

Jones, W. R., Jr.↗
NASA NTRS1980

Formulation and evaluation of C-Ether fluids as lubricants useful to 260 C

Three base stocks were evaluated in bench and bearing tests to determine their suitability for use at bulk oil temperatures (BOT) from -40 C to +260 C. A polyol ester gave good bearing tests at a bulk temperature of 218 C, but only a partially successful run at 274 C. These results bracket the fluid's maximum operating temperature between these values. An extensive screening program selected lubrication additives for a C-ether (modified polyphenyl ether) base stock. One formulation lubricated a bearing for 111 hours at 274 C (BOT), but this fluid gave many deposit related problems. Other C-ether blends produced cage wear or fatigue failures. Studies of a third fluid, a C-ether/disiloxane blend, consisted of bench oxidation and lubrication tests. These showed that some additives react differently in the blend than in pure C-ethers.

Clark, F. S.↗
DOE OSTI2024

High-Pressure Melting Experiments of Fe 3 C and a Thermodynamic Model of Fe-C Liquids for the Earth's Core

Melting experiments of Fe 3 C were conducted to 85 GPa in laser-heated diamond anvil cells with in situ X-ray diffraction and post-experiment textural observation. From the determined pressure-temperature conditions of the melting curve for Fe 3 C, together with literature data on the melting point of diamond and eutectic point of the system Fe-Fe 3 C/Fe 7 C 3 under high pressures, we established a self-consistent thermodynamic model for high-pressure melting of the system Fe-C including the mixing parameters for liquids. The results show that mixing of Fe and C liquids is negatively nonideal from 1 bar to the pressure at the center of the Earth. The departure from ideal mixing becomes progressively larger with increasing pressure, which leads to greatly stabilized liquids under core pressures. The modeled carbon content in eutectic melts under core pressures is 3.3–4.4 wt%. From the Gibbs free energy, we derived an internally consistent parameters for Fe-C outer cores which included the crystallizing points at their bottoms, isentropic thermal profiles, and densities and longitudinal seismic wave speeds (Vp). While the addition of carbon in excess of the eutectic melt composition effectively reduces the density of iron liquid, the Vp of iron liquid is not greatly changed. Therefore, the low density and high Vp of PREM relative to pure iron cannot be reconciled by an Fe-C liquid. Therefore, the Earth's core cannot be approximated by the system Fe-C and should include another light element.

58 GEOSCIENCES↗
DOE OSTI2024

Observation of χ c 0 → Σ + Σ ¯ − η and evidence for χ c 1 , 2 → Σ + Σ ¯ − η

Using ( 27.12 ± 0.14 ) × 10 8 ψ ( 3686 ) events collected with the BESIII detector, the decay χ c 0 → Σ + Σ ¯ − η is observed for the first time with a signal significance of 7.0 σ , and evidence for χ c 1 → Σ + Σ ¯ − η and χ c 2 → Σ + Σ ¯ − η is found with signal significances of 4.3 σ and 4.6 σ , respectively. The branching fractions are determined to be B ( χ c 0 → Σ + Σ ¯ − η ) = ( 1.26 ± 0.20 ± 0.13 ) × 10 − 4 , B ( χ c 1 → Σ + Σ ¯ − η ) = ( 5.10 ± 1.21 ± 0.67 ) × 10 − 5 , and B ( χ c 2 → Σ + Σ ¯ − η ) = ( 5.46 ± 1.18 ± 0.50 ) × 10 − 5 , where the first uncertainties are statistical, and the second ones are systematic. Published by the American Physical Society 2024

Ablikim, M.↗
DOE OSTI2025

Search for e + e − → φ χ c 0 and φ η c 2 ( 1 D ) at center-of-mass energies from 4.47 to 4.95 GeV

Utilizing a dataset of 6.7 fb − 1 from electron-positron collisions recorded by the BESIII detector at the BEPCII storage ring, a search is conducted for the processes e + e − → ϕ χ c 0 and ϕ η c 2 ( 1 D ) across center-of-mass energies from 4.47 to 4.95 GeV. In the absence of any significant signals, upper limits are set. These include limits on the dressed cross sections for e + e − → ϕ χ c 0 , as well as the product of the dressed cross section for e + e − → ϕ η c 2 ( 1 D ) and a sum of five branching fractions. Furthermore, the product of the electronic width of Y ( 4660 ) and the branching fraction of the Y ( 4660 ) → ϕ χ c 0 , denoted as Γ e + e − Y ( 4660 ) B Y ( 4660 ) → ϕ χ c 0 , is determined to be < 0.35 eV at the 90% confidence level. Published by the American Physical Society 2025

Ablikim, M.↗
NASA NTRS2018

Coordinating AgMIP Data and Models Across Global and Regional Scales for 1.5°C and 2.0°C Assessments

The Agricultural Model Intercomparison and Improvement Project (AgMIP) has developed novel methods for Coordinated Global and Regional Assessments (CGRA) of agriculture and food security in a changing world. The present study aims to perform a proof of concept of the CGRA to demonstrate advantages and challenges of the proposed framework. This effort responds to the request by the UN Framework Convention on Climate Change (UNFCCC) for the implications of limiting global temperature increases to 1.5°C and 2.0°C above pre-industrial conditions. The protocols for the 1.5°C/2.0°C assessment establish explicit and testable linkages across disciplines and scales, connecting outputs and inputs from the Shared Socio-economic Pathways (SSPs), Representative Agricultural Pathways (RAPs), Half a degree Additional warming, Prognosis and Projected Impacts (HAPPI) and Coupled Model Intercomparison Project Phase 5 (CMIP5) ensemble scenarios, global gridded crop models, global agricultural economics models, site-based crop models and within-country regional economics models. The CGRA consistently links disciplines, models and scales in order to track the complex chain of climate impacts and identify key vulnerabilities, feedbacks and uncertainties in managing future risk. CGRA proof-of-concept results show that, at the global scale, there are mixed areas of positive and negative simulated wheat and maize yield changes, with declines in some bread basket regions, at both 1.5°C and 2.0°C. Declines are especially evident in simulations that do not take into account direct CO2 effects on crops. These projected global yield changes mostly resulted in increases in prices and areas of wheat and maize in two global economics models. Regional simulations for 1.5°C and 2.0°C using site-based crop models had mixed results depending on the region and the crop. In conjunction with price changes from the global economics models, productivity declines in the Punjab, Pakistan, resulted in an increase in vulnerable households and the poverty rate. This article is part of the theme issue ‘The Paris Agreement: understanding the physical and social challenges for a warming world of 1.5°C above pre-industrial levels’.

interdisciplinary↗
DOE OSTI2024

A DFT Comparison of C–C Reductive Coupling from Terminal Cyanido and Cyaphido Complexes of Nickel

The density functional theory study of the thermal C–C reductive coupling from terminal cyanido and hypothetical cyaphido complexes of [Ni(dmpe)] (dmpe = 1,2-bis(dimethylphosphino)ethane) revealed the key reaction intermediate in the reductive C–CP coupling being a σ-CC complex unlike an η 2 -aryl complex in the Ni C–CN system, as already observed in our previous studies. The reaction in THF is endothermic by 4.9 kcal/mol for cyanido with a 32.0 kcal/mol activation barrier and exothermic by 28.5 kcal/mol for cyaphido with an 11.3 kcal/mol activation barrier. To compare our results with the existing experimental data, we chose mesityl as the aryl group and also studied the CP reaction with [Pt(dmpe)] and [Pt(dmpm)] (dmpe = 1,2-bis(dimethylphosphino)methane) fragments. Our findings are consistent with the thermodynamically uphill photolytic C–CP bond activation in phosphaalkynes with Pt and a faster thermal back-reaction with [Pt(dmpe)] compared to that of [Pt(dmpm)]. Furthermore, based on the natural population analysis, when the polarity of the C–C bond is inverted, the sign of ΔG° is also inverted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Directed Gas-Phase Formation of The Propargyl Family of Resonance-Stabilized Radicals in The Reactions of Ground-State Carbon Atoms (C; 3 P j ) with Butene Isomers (C 4 H 8 ): Dimethylpropargyl and Ethylpropargyl

The propargyl radical (C 3 H 3 ) is the simplest resonance-stabilized free radical (RSFR), but how does stepwise methyl substitution in the alkene reactant affect its dynamics of their formation? We report a crossed molecular beam study of the reactions of atomic carbon (C, 3 P j ) with four butene isomers (C 4 H 8 ) under single collision conditions at a collision energy of 28 ± 2 kJ mol −1 . Barrierless addition of atomic carbon to the alkene C=C bond triggers ring opening to triplet substituted allenes—a de facto insertion mechanism—followed by unimolecular decomposition via atomic hydrogen (H), methyl (CH 3 ) or ethyl (C 2 H 5 ) loss, yielding a family of propargyl‑type RSFRs. RRKM calculations reveal that the branching ratios are highly sensitive to the alkene structure. While the methyl loss channel, affording 1‑methylpropargyl, dominates for 2 butenes (80–90%), the predicted hydrogen atom loss channel (≈10%) leading to 1,3 dimethylpropargyl is identified in the experiment by comparison with theoretical energetics. For isobutene, a near‑equal competition is seen, with the reaction producing 3‑methylpropargyl (≈50%) and 1,1‑dimethylpropargyl (≈40%), along with 2‑vinylallyl (≈5%), whose formation is supported by the experimental data. Most notably, the reaction with 1 butene uniquely favors an enthalpically driven hydrogen shift, eventually producing 1 vinylallyl (≈38%), which is assigned based on the excellent agreement between the measured and calculated reaction exothermicity. Rapid entropically favored fragmentation channels yield ≈40% of propargyl type species (propargyl, 1- and 3-ethylpropargyls), slightly outcompeting the allyl type product. Furthermore, these results establish a systematic progression from C 2 H 4 to C 4 H 8 , where the increasing alkyl substitution unlocks new fragmentation channels, providing a versatile gas phase route to alkylated RSFRs—key intermediates in the growth of methylated and ethylated PAHs and aliphatic chains in combustion and cold interstellar environments (molecular clouds).

Alkyls↗
DOE OSTI2025

Machine Learning-Accelerated First-Principles Molecular Dynamics Reveals C–C Coupling Mechanisms toward Ethylene on Cu(100)

Here, the Cu(100) termination has been identified as the most effective facet for converting CO and CO 2 into ethylene. To enhance both the activity and selectivity of ethylene production, we perform machine-learning-accelerated, first-principles molecular dynamics simulations at 298 K in an explicit solvent at pH 7 to elucidate the C–C coupling mechanism─the critical reaction step in forming C 2+ products. Among the six potential C–C coupling pathways, the most feasible are CO* dimerization and CO – CHO* and CHO* – CHO* couplings. Using the computational hydrogen electrode method, we demonstrate that all three pathways are equally accessible at −0.6 V vs RHE. At a potential below −1.0 V vs RHE, the thermodynamic barriers for the CO – CHO* and CHO* – CHO* pathways become negligible. Our computational findings explain the experimental observations, particularly the absence of C 2+ products above −0.4 V vs RHE and the peaks in ethylene production near −0.6 and −1.0 V vs RHE. Since CHO* acts as a key intermediate common to both C–C coupling and CH 4 formation, we propose that suppressing CHO* hydrogenation would inhibit CH 4 pathways, thereby maximizing ethylene selectivity.

CO2 reduction↗