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NASA NTRS2020

Larger Drought and Flood Hazards and Adverse Impacts on Population and Economic Productivity Under 2.0 than 1.5°C Warming

Climate change may have major influences on surface runoff, which would consequently result in important implications for terrestrial ecosystems and human well‐being. At global scale there is limited understanding of these issues with respect to the warming targets stipulated in the Paris Agreement. Here we use a well‐established hydrological model (Variable Infiltration Capacity [VIC]) forced with a representative ensemble of latest climate projections from four global circulation models (GCMs) to estimate potential future changes in runoff and Terrestrial Ecosystem Water Retention (TEWR), as well as changes in extreme runoff and their impacts on population, and overall gross domestic product (GDP) worldwide. Results suggest that annual runoff generally would have larger increases, while annual TEWR generally would have larger decreases under the 2.0°C warming scenario as opposed to 1.5°C warming scenario. Global mean warming of 2°C versus 1.5°C would lead to more distinct spatial patterns in runoff change, with a general shift of the runoff distribution towards more extreme low runoff in Mexico, western United States, Western Europe, southeastern China, West Siberian Plain and more extreme high runoff in Alaska, northern Canada, and large parts of Asia. More people and GDP would be exposed to extreme low runoff decrease, extreme high runoff increase, extreme low runoff decrease as well as extreme high runoff increase under a higher warming scenario. This study differentiates hydrological impacts between the two warming scenarios and illustrates higher runoff, lower TEWR, larger potential drought and flood hazards and adverse impacts on population and GDP under 2°C than 1.5°C.

Paris Agreement↗

NASA NTRS2019

Near-infrared Spectroscopy of Galaxies During Reionization: Measuring C III] in a Galaxy at z = 7.5

We present Keck/MOSFIRE H-band spectroscopy targeting C III] λ1907, 1909 in a z = 7.5056 galaxy previously identified via Lyα emission. We detect strong line emission at 1.621 ± 0.002 mm with a line flux of (2.63 ± 0.52) × 10−18 erg s−1cm−2. We tentatively identify this line as [C III] λ1907, but we are unable to detect C III] λ1909 owing to sky emission at the expected location. This gives a galaxy systemic redshift, zsys = 7.5032 ± 0.0003, with a velocity offset to Lyα of DvLya = 88 ± 27 km s−1. The ratio of combined C III]/Lyα is 0.30–0.45, one of the highest values measured for any z > 2 galaxy. We do not detect Si III] λλ1883, 1892, and place an upper limit on Si III]/C III] < 0.35 (2σ). Comparing our results to photoionization models, the C III] equivalent width (WC III] = 16.23 ± 2.32 Å), low Si III]/C III] ratio, and high implied [O III] equivalent width (from the Spitzer/IRAC [3.6]–[4.5] ~- 0.8 mag color) require subsolar metallicities (Z ~- 0.1–0.2 Zsun) and a high ionization parameter, log U >~ 1.5. These results favor models that produce higher ionization, such as the BPASS models for the photospheres of high-mass stars, and that include both binary stellar populations and/or an IMF that extends to 300 Me. The combined C III] equivalent width and [3.6]–[4.5] color are more consistent with ionization from young stars than active galactic nuclei (AGNs); however, we cannot rule out ionization from a combination of an AGN and young stars. We make predictions for James Webb Space Telescope spectroscopy using these different models, which will ultimately test the nature of the ionizing radiation in this source.

reionization↗

NASA NTRS2022

What Does Global Land Climate Look Like at 2°C Warming?

Constraining an increase in global mean temperature below 2°C compared to pre-industrial levels is critical to limiting dangerous and cascading impacts of anthropogenic climate change. Understanding future climatic changes and their spatial heterogeneity at 2°C warming is thus important for policy makers to prepare actionable adaptation and mitigation plans by identifying where and to what extent lives and livelihoods will be impacted. This study uses the recently released NASA Earth eXchange Global Daily Downscaled Projections (NEX-GDDP) CMIP6 data to provide a broad overview of projected changes in six key climate variables and two climate impact indicators at a time when warming exceeds 2°C. Analysis of global mean temperature changes indicates the 2040s as the decade when most CMIP6 models reach 2°C warming with respect to a pre-industrial period (1850–1900). During the 2040s, we find that global mean temperature, precipitation, relative humidity, downwelling shortwave and longwave radiation, and wind speed over land under the high emission scenario are projected to change by +2.8°C, +22.4 mm/year, −0.73%, −2.23 , +15.9 W/m 2 , and −0.04 m/s, respectively. Many of the future changes are expected to exacerbate climate impacts including heat stress and fire danger. Our analysis shows geographic patterns of policy-relevant climatic changes, as parts of the globe will experience significant climate impacts even if the goal to keep warming below 2°C goal is achieved. Our results highlight the urgent need for further studies focused on identifying key hotspots and advancing region-specific actionable adaptation and mitigation plans.

GDDP↗

DOE OSTI2024

Fuel Performance Evaluation of THOR-C Experiments

The Temperature Heatsink Overpower Response Commissioning (THOR-C) and THOR-Metal (THOR-M) experiments will be performed as part of an ongoing project for testing sodium fast reactor fuels with the Japan Atomic Energy Agency (JAEA). The THOR-C experiments consist of fresh metallic fuel pins and have been analyzed using the ABAQUS, Ansys codes and the BISON fuel performance code. THOR-M-Loss of Flow-1 (THOR-M-LOF-1) is designed to test an EBR-II irradiated fuel pin under LOF conditions. Simulation of the THOR-MLOF-1 experiment required first simulating the base irradiation of the fuel pin in EBR-II. MFUEL module of SAS4A/SASSYS-1 [1] is a physics-based metallic fuel performance model applicable to the normal operation, transient scenarios and fuel failure modeling including scenarios with bulk fuel melting. The model has been validated using EBR-II normal operation, separate effect transient tests as well as TREAT M-Series transient tests [2]. In this study, MFUEL models has been utilized together with a new capsule heat transfer model developed in this project. The new heat transfer model was necessary due to (1) significant amount of heat losses that required 2D heat transfer, (2) the presence of a titanium heat sink, rejecting a significant amount of heat, and (3) stagnant coolant conditions, which are inconsistent with SAS4A/SASSYS-1 (SAS) heat transfer model. Updates to SAS4A/SASSYS-1 and MFUEL has been described below, followed by a preliminary validation effort using the results from THOR-C-2 fresh fuel capsule experiment. A previous study for THOR-C-2 analysis using BISON code is also utilized in this study to model this test [3]. [1] D. O’Grady, A. J. Brunett, L. Ibarra, A. Karahan, T. Kim, T. S. Sumner, R. Thomas, T. H. Fanning, “The SAS4A/SASSYS-2 Version 5.7 Safety Analysis Code System,” Argonne National Laboratory,ANL/NSE-SAS/5.7, (2023). [2] A. Karahan, T. Kim, T. Fanning, D. O’Grady, “Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1,” Argonne National Laboratory, ANL/NSE-23/11, (2023). [3] M. Mihelish, A. Zabriskie, K. Paaren, P. Medvedev, C. Jensen, “Fuel Performance Predictions for the TREAT THOR-C Experiments,” Idaho National Laboratory, INL/RPT-23-73397, Revision 0, (2023)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Measurement of the production cross section of prompt $ {\Xi}_{\mathrm{c}}^0 $ baryons at midrapidity in pp collisions at $ \sqrt{s} $ = 5.02 TeV

The transverse momentum (p T ) differential cross section of the charm-strange baryon $ {\Xi}_{\mathrm{c}}^0 $ is measured at midrapidity (|y| < 0.5) via its semileptonic decay into e + Ξ - ν e in pp collisions at $\sqrt{s}$ = 5.02 TeV with the ALICE detector at the LHC. The ratio of the p T -differential $ {\Xi}_{\mathrm{c}}^0 $-baryon and D 0 -meson production cross sections is also reported. The measurements are compared with simulations with different tunes of the PYTHIA 8 event generator, with predictions from a statistical hadronisation model (SHM) with a largely augmented set of charm-baryon states beyond the current lists of the Particle Data Group, and with models including hadronisation via quark coalescence. The p T -integrated cross section of prompt $ {\Xi}_{\mathrm{c}}^0 $-baryon production at midrapidity is also reported, which is used to calculate the baryon-to-meson ratio $ {\Xi}_{\mathrm{c}}^0 $/D 0 = 0.20 ± 0.04 (stat.)$^{+0.08}_{-0.07}$ (syst.). These results provide an additional indication of a modification of the charm fragmentation from e + e - and e - p collisions to pp collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Measurement of the absolute branching fraction of Λ c + → p K S 0 η decays

Based on 586 pb -1 of e + e - annihilation data collected at a center-of-mass energy of √s = 4.6 GeV with the BESIII detector at the BEPCII collider, the absolute branching fraction of $Λ^+_c$ → $pK^0_Sη$ decays is measured for the first time to be $B$($Λ^+_c$ → $pK^0_Sη$) = (0.414±0.084±0.028)%, where the first uncertainty is statistical and the second is systematic. The result is compatible with a previous CLEO result on the relative branching fraction B ( Λ c + → p K S 0 η ) B ( Λ c + → p K − π + ) , and consistent with theoretical predictions of SU(3) flavor symmetry.

$Λ^+_c$, Charmed baryon decays↗

DOE OSTI2025

Study of Λ b 0 and Ξ b 0 Decays to Λ h + h ′ − and Evidence for C P Violation in Λ b 0 → Λ K + K − Decays

A study of Λ b 0 and Ξ b 0 decays to Λ h + h ′ − ( h ( ′ ) = π , K ) is performed using p p collision data collected by the LHCb experiment during LHC Runs 1–2, corresponding to an integrated luminosity of 9 fb − 1 . The branching fractions for these decays are measured using the Λ b 0 → Λ c + ( → Λ π + ) π − decay as a control channel. The decays Λ b 0 → Λ π + π − and Ξ b 0 → Λ K − π + are observed for the first time. For decay modes with sufficient signal yields, C P asymmetries are measured in the full and localized regions of the final-state phase space. Evidence is found for C P violation in the Λ b 0 → Λ K + K − decay, interpreted as originating primarily from an asymmetric Λ b 0 → N * + K − decay amplitude. The measured C P asymmetries for other decays are compatible with zero. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗

DOE OSTI2025

Observation of the Open-Charm Tetraquark Candidate T c s 0 * ( 2870 ) 0 in the B − → D − D 0 K S 0 Decay

An amplitude analysis of B − → D − D 0 K S 0 decays is performed using proton-proton collision data, corresponding to an integrated luminosity of 9 fb − 1 , collected with the LHCb detector at center-of-mass energies of 7, 8, and 13 TeV. A resonant structure of spin-parity 0 + is observed in the D 0 K S 0 invariant-mass spectrum with a significance of 5.3 σ . The mass and width of the state, modeled with a Breit-Wigner line shape, are determined to be 2883 ± 11 ± 8 MeV / c 2 and 87 − 47 + 22 ± 17 MeV , respectively, where the first uncertainties are statistical and the second systematic. These properties and the quark content are consistent with those of the open-charm tetraquark candidate T c s 0 * ( 2870 ) 0 observed previously in the D + K − final state of the B − → D − D + K − decay. This result confirms the existence of the T c s 0 * ( 2870 ) 0 state in a new decay mode. The T c s 1 * ( 2900 ) 0 state, reported in the B − → D − D + K − decay, is also searched for in the D 0 K S 0 invariant-mass spectrum of the B − → D − D 0 K S 0 decay, without finding evidence for it. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗

DOE OSTI2022

Nitrogen Atom Transfer Catalysis by Metallonitrene C−H Insertion: Photocatalytic Amidation of Aldehydes

Abstract C−H amination and amidation by catalytic nitrene transfer are well‐established and typically proceed via electrophilic attack of nitrenoid intermediates. In contrast, the insertion of (formal) terminal nitride ligands into C−H bonds is much less developed and catalytic nitrogen atom transfer remains unknown. We here report the synthesis of a formal terminal nitride complex of palladium. Photocrystallographic, magnetic, and computational characterization support the assignment as an authentic metallonitrene (Pd−N) with a diradical nitrogen ligand that is singly bonded to Pd II . Despite the subvalent nitrene character, selective C−H insertion with aldehydes follows nucleophilic selectivity. Transamidation of the benzamide product is enabled by reaction with N 3 SiMe 3 . Based on these results, a photocatalytic protocol for aldehyde C−H trimethylsilylamidation was developed that exhibits inverted, nucleophilic selectivity as compared to typical nitrene transfer catalysis. This first example of catalytic C−H nitrogen atom transfer offers facile access to primary amides after deprotection.

Schmidt‐Räntsch, Till↗

DOE OSTI2026

Vibrational Quantum-State-Controlled Reactivity in the O 2 + + C 3 H 4 Reaction

Quantum-state-controlled reactivity is a long-standing goal in the field of physical chemistry. In this work, we explore the vibrational-state-dependent behavior of the ion–molecule reaction between O 2 + in distinct vibrational states and two isomers of C 3 H 4 , allene (H 2 C 3 H 2 ) and propyne (H 3 C 3 H). While most products are formed regardless of the vibrational state of O 2 + , the branching ratios are influenced by vibrational excitation, and a new product, C 2 O + , appears exclusively in the excited-state reactions. This selective formation of C 2 O + demonstrates that vibrational excitation can effectively activate a reaction pathway, providing direct evidence of quantum-state control in the reactivity. These results represent an important step toward the goal of quantum-state-controlled chemistry in molecular systems.

Chemical reactions↗

DOE OSTI2021

Selective butene formation in direct ethanol-to-C3+-olefin valorization over Zn-Y/Beta and single-atom alloy composite catalysts using in situ generated hydrogen

The selective production of C3+ olefins from renewable feedstocks, especially via C1 and C2 platform chemicals, is a critical challenge for obtaining economically viable low-carbon middle distillate transportation fuels (i.e., jet and diesel). Here, we report a multifunctional catalyst system composed of Zn-Y/Beta and “single-atom” alloy (SAA) Pt-Cu/Al2O3 which selectively catalyzes ethanol-to-olefins (C3+, ETO) valorization in the absence of cofed hydrogen, forming butenes as the primary olefin products. Beta zeolites containing predominately isolated Zn and Y metal sites catalyze ethanol upgrading steps (588 K, 3.1 kPa ethanol, ambient pressure) regardless of cofed hydrogen partial pressure (0-98.3 kPa H2), forming butadiene as the primary product (60% selectivity at 87% conversion). The Zn-Y/Beta catalyst possesses site-isolated Zn and Y Lewis acid sites (at ~7 wt% Y) and Brønsted acidic Y sites, the latter of which has been previously uncharacterized. A secondary bed of SAA Pt-Cu/Al2O3 selectively hydrogenates butadiene to butene isomers at a consistent reaction temperature using hydrogen generated in situ from ethanol-to-butadiene (ETB) conversion. This unique hydrogenation reactivity at near-stoichiometric hydrogen and butadiene partial pressures is not observed over monometallic Pt or Cu catalysts, highlighting these operating conditions as a critical SAA catalyst application area for conjugated diene selective hydrogenation at high reaction temperatures (>573 K) and low H2/diene ratios (e.g., 1:1). Single-bed steady state selective hydrogenation rates, associated apparent hydrogen and butadiene reaction orders, and DFT calculations of the Horiuti-Polanyi reaction mechanisms indicate that the unique butadiene selective hydrogenation reactivity over SAA Pt-Cu/Al2O3 reflects lower hydrogen scission barriers relative to monometallic Cu surfaces and limited butene binding energies relative to monometallic Pt surfaces. DFT calculations further indicate the preferential desorption of butene isomers over SAA Pt-Cu(111) and Cu(111) surfaces while Pt(111) surface favors subsequent butene hydrogenation reactions to form butane over butene desorption events. Under operating conditions without of hydrogen cofeeding, this combination of Zn-Y/Beta and SAA Pt-Cu catalysts can selectively form butenes (65% butenes, 78% C3+ selectivity at 94% conversion) and avoid butane formation using only in situ generated hydrogen, avoiding costly hydrogen cofeeding requirements that hinder many renewable energy processes.

Cordon, Michael↗

NASA NTRS1988

C IV and Si IV in IUE spectra of normal B8-A0 stars: UV identified Be/Ae stars

Archival IUE high dispersion spectra of 42 B6-A2 stars within 200 pc were surveyed. Five of the program stars show significant C IV and Si IV absorption. All of the stars with detected C IV have v sin i less than or = 190 km/sec. Sharp absorption cores are present in Si II lambda 1533 in 3 of the objects, indicating that these are previously unrecognized shell stars. Three of the stars have variable or asymmetric C IV profiles which are consistent with the C IV and Si IV being produced in stellar winds. One star has C IV in the form of a shortward-shifted discrete absorption component, similar to those observed in Be stars. The data are compared with similar data for Be and B shell stars.

Chiu, Weihsueh A.↗

DOE OSTI2024

Measurements of the Branching Fraction, Polarization, and C P Asymmetry for the Decay B 0 → ω ω

We present a comprehensive study of B 0 → ω ω decays using 772 × 10 6 B B ¯ pairs collected with the Belle detector at the KEKB e + e − collider. This process is a suppressed charmless decay into two vector mesons and can exhibit interesting polarization and C P violation. The decay is observed for the first time with a significance of 7.9 standard deviations. We measure a branching fraction B = ( 1.53 ± 0.29 ± 0.17 ) × 10 − 6 , a fraction of longitudinal polarization f L = 0.87 ± 0.13 ± 0.13 , and a time-integrated C P asymmetry A C P = − 0.44 ± 0.43 ± 0.11 , where the first uncertainties listed are statistical and the second are systematic. This is the first observation of B 0 → ω ω and the first measurements of f L and A C P for this decay. Published by the American Physical Society 2024

Physics↗

DOE OSTI2025

Measurement of the time-integrated C P asymmetry in D 0 → K S 0 K S 0 decays using Belle and Belle II data

We measure the time-integrated C P asymmetry in D 0 → K S 0 K S 0 decays reconstructed in e + e − → c c ¯ events collected by the Belle and Belle II experiments. The corresponding data samples have integrated luminosities of 980 and 428 fb − 1 , respectively. The D 0 decays are required to originate from the D * + → D 0 π + decay, which determines the charm flavor at production time. A control sample of D 0 → K + K − decays is used to correct for production and detection asymmetries. The result, ( − 1.4 ± 1.3 ( stat ) ± 0.1 ( syst ) ) % , is consistent with previous determinations and with C P symmetry. Published by the American Physical Society 2025

Adachi, I. (ORCID:0000000322870173)↗

DOE OSTI2024

Modeling oxygen reduction activity loss mechanisms in atomically dispersed Fe–N–C electrocatalysts

Materials degradation is a major factor that limits the wider adoption of renewable and clean energy technologies. This is particularly true for the Pt group metal-free (PGM-free) atomically dispersed metal-nitrogen-carbon (M-N-C) catalysts. Here, while many experimental studies have investigated and reported the phenomenological aspects of M-N-C degradation, only a few modeling studies have considered degradation mechanisms at the atomic level. Understanding the mechanisms responsible for activity loss occurring in atomically dispersed M-N-C’s is crucial towards rationally designing active, durable, and less expensive Earth-abundant catalysts. Towards this end, we have surveyed recent literature concerning the modeling of corrosion mechanisms that impact M-N-C catalysts (Fe–N–C, in particular) and offer our own perspectives on the future direction of this field.

36 MATERIALS SCIENCE↗

DOE OSTI2024

On the product phases and the reaction kinetics of carbothermic reduction of UO 2 +C at relatively low temperatures

The synthesis of UC using carbothermic reduction of UO 2 and C mixtures has been well studied at high temperatures. However, the product phase behavior of carbothermic reduction at low temperatures (≤1773 K) is not well studied. Such a study is important as low temperatures permit single phase UC synthesis without forming secondary higher carbides, and it further supports the knowledge base of the process that needs to be used for transuranic elements such as plutonium that have high vapor pressures at elevated temperatures. Therefore, a low temperature carbothermic reduction of two different C/UO 2 molar ratios under inert and reducing environments have been studied here. Two different sample holding crucibles, alumina (Al 2 O 3 ) and graphite, were also used here to differentiate the hypostoichiometric (UC 1-a ) and oxygen dissolved (UC 1-x O x ) uranium monocarbide phases adding more details on the two systems. Also, the reaction kinetics involved in the formation of UC via the carbothermic reduction of UO 2 +C using product phases instead of evolved gases such as carbon monoxide is reported here. Under inert atmospheres but with significant oxygen partial pressures, the low temperature carbothermic reduction of UO 2 +C produced up to 90 wt.% UC 1-x O x type oxycarbides as was confirmed by Xray powder diffraction. Reducing Ar-4%H 2 environments at these temperatures were not successful in synthesizing UC as it reduces the amount of C required for the carbothermic reduction, leaving UC phase at a non-equilibrium state. Inert atmospheres with low or negligible oxygen partial pressures on the other hand produced near stoichiometric UC at high phase purity, especially at 1673 – 1773 K temperature range. An activation energy of 377±75 kJmol -1 was also calculated using product phase concentrations of the carbothermic reduction of UO 2 +C under these inert Ar (g) atmospheres.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Boosting electrosynthesis of ammonia on surface-engineered MXene Ti 3 C 2

Seeking a breakthrough in the development of efficient nitrogen fixation catalysts has become the frontier of energy and chemical conversion schemes. In this work, we report that the MXene Ti 3 C 2 can serve as a promising catalyst for the electrochemical N 2 reduction reaction (NRR) under ambient conditions. The electrocatalytic performance of Ti 3 C 2 can be further optimized through surface engineering. Specifically, Ti 3 C 2 with the increased surface hydroxyl moieties demonstrates enhanced production of NH 3 with a yield rate of 1.71 μg h -1 cm -2 , a Faradaic efficiency of 7.01% at -0.2 V vs. RHE at 20 °C and an even higher yield rate of 12.46 μg h -1 cm -2 together with a Faradaic efficiency of 9.03% at -0.2 V vs. RHE at 60 °C. The detailed electrochemical analysis suggests that the surface hydroxyl modification can effectively facilitate the electron transfer, surface adsorption and activation of dinitrogen. Our work sheds light on the development of efficient NRR catalysts based on earth-abundant elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Rooting MnO 2 into protonated g-C 3 N 4 by intermolecular hydrogen bonding for endurable supercapacitance

Composited electrode materials for energy storage typically benefit from the merits of each component but meanwhile largely suffer from the vulnerable structural integrity during repetitive cycling. Realizing the merely physical attachment in most composited structures being too weak to survive harsh cycling, we report here a facile one-step synthesis strategy with generation of chemical bonds, more specifically, intermolecular hydrogen bonds, to tightly combine each component. Here, we demonstrate this concept by designing a composite featuring MnO 2 nanorods chemically rooted into protonated g-C 3 N 4 , where the protonation of 2D g-C 3 N 4 substrate (pg-C 3 N 4 ), the nucleation/growth of MnO 2 and the formation of hydrogen bonding between pg-C 3 N 4 and MnO 2 simultaneously occur. The obtained composite, when applied for supercapacitive energy storage, yields maximum specific capacitances of 348.4 F·g -1 at a current density of 1.0 A·g -1 as well as a high retention of ~85.0% after 10000 cycles at 6.0 A·g -1 , surpassing most previously reported composited electrode materials based on either MnO 2 or g-C 3 N 4 . Finally, we expect this work to inspire the synthesis of composited electrode materials with consolidated 3D architecture for endurable energy storage performance.

25 ENERGY STORAGE↗