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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Multiplicity scaling of light nuclei production in relativistic heavy-ion collisions

Using the nucleon coalescence model based on kinetic freeze-out nucleons from the 3D MUSIC+UrQMD and the 2D VISHNU hybrid model with a crossover equation of state, we study the multiplicity dependence of deuteron ( d ) and triton ( t ) production from central to peripheral Au+Au collisions at s NN = 7.7, 14.5, 19.6, 27, 39, 62.4 and 200 GeV and Pb+Pb at s NN = 2.76 TeV, respectively. It is found that the ratio N t N p / N d 2 of the proton yield N p , deuteron yield N d and triton yield N t exhibits a scaling behavior in its multiplicity dependence, i.e., decreasing monotonically with increasing charged-particle multiplicity. A similar multiplicity scaling of this ratio is also found in the nucleon coalescence calculation based on kinetic freeze-out nucleons from a multiphase transport (AMPT) model. The scaling behavior of N t N p / N d 2 can be naturally explained by the interplay between the sizes of light nuclei and the nucleon emission source. We further argue that the multiplicity scaling of N t N p / N d 2 can be used to validate the production mechanism of light nuclei, and the collision energy dependence of this yield ratio can further serve as a baseline in the search for the QCD critical point in relativistic heavy-ion collisions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Spectroscopic characterization of a new Re(i) tricarbonyl complex with a thiosemicarbazone derivative: towards sensing and electrocatalytic applications

This work describes the preparation of a new thiosemicarbazone derivative, (Z)- N -ethyl-2-(6-oxo-1,10-phenanthrolin-5(6 H )-ylidene)hydrazinecarbothioamide (phet) and its respective Re( I ) tricarbonyl chloro complex, fac -[ReCl(CO) 3 (phet)]. The spectroscopic, photophysical and electrochemical properties of the new complex were fully investigated through steady state and time-resolved techniques along with computational calculations. In fac -[ReCl(CO) 3 (phet)], the new ligand is coordinated to the metal center through the pyridyl rings of the phenanthroline moiety. The unbound electron pairs in the S atom of the bending thiosemicarbazone group induce new low energy lying electronic transitions. Consequently, enhanced visible light absorption up to 550 nm is observed in acetonitrile due to the overlap between MLCT Re→phet and IL phet(n→π*) transitions. The absorption bands and emission quantum yields of fac -[ReCl(CO) 3 (phet)] are sensitive to proton concentration due to an acid-basic equilibrium in the N atoms of the thiosemicarbazone. Proton dissociation constants of 10.0 ± 0.1 and 11.4 ± 0.2 were determined respectively for the ground and excited states of the new complex. Spectral changes could also be observed in the presence of Zn 2+ cations which can be further explored for sensing applications. The electrochemical behavior of the new complex was studied in detail, revealing up to four one electron reduction processes in the range from 0 to -2.4 V vs. Fc + /Fc. With support of DFT calculations, the first three processes are ascribed to the reduction of the coordinated phet ligand followed by the Re I/0 reduction and consequent Cl - release. Furthermore, the new complex was able to act as an electrocatalyst for CO 2 reduction into CO ( E onset = -1.92 V vs. Fc + /Fc), with a turnover frequency of 2.81 s -1 and turnover number of 24 ± 1 in anhydrous acetonitrile, being the first Re( I ) tricarbonyl complex with a thiosemicarbazone derivative described for this goal. The detailed characterization carried out here can drive the development of new Re( I )-thiosemicarbazone derivatives for different applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Production of light (anti)nuclei in pp collisions at $\sqrt{s} = 5.02$ TeV

The study of the production of nuclei and antinuclei in pp collisions has proven to be a powerful tool to investigate the formation mechanism of loosely bound states in high-energy hadronic collisions. In this paper, the production of protons, deuterons and 3He and their charge conjugates at midrapidity is studied as a function of the charged-particle multiplicity in inelastic pp collisions at √s=5.02 TeV using the ALICE detector. Within the uncertainties, the yields of nuclei in pp collisions at √s=5.02 TeV are compatible with those in pp collisions at different energies and to those in p–Pb collisions when compared at similar multiplicities. The measurements are compared with the expectations of coalescence and Statistical Hadronisation Models. The results suggest a common formation mechanism behind the production of light nuclei in hadronic interactions and confirm that they do not depend on the collision energy but on the number of produced particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Production of protons and light nuclei in Au +Au collisions at $\sqrt{s_{NN}}$ = 3 GeV with the STAR detector

We report the systematic measurement of protons and light nuclei production in Au +Au collisions at $\sqrt{s_{NN}}$ = 3 GeV by the STAR experiment at the Relativistic Heavy Ion Collider (RHIC). The transverse momentum (𝑝 𝑇 ) spectra of protons (𝑝) , deuterons (𝑑) , tritons (𝑡) , 3 He , and 4 He have been measured from midrapidity to target rapidity for different collision centralities. We present the rapidity and centrality dependence of particle yields (𝑑⁢𝑁/𝑑⁢𝑦), average transverse momentum (⟨𝑝 𝑇 ⟩), yield ratios (𝑑/𝑝, 𝑡/𝑝, 3 He/𝑝, 4 He/𝑝), as well as the coalescence parameters (𝐵 2 ,𝐵 3 ). The 4⁢𝜋 yields for various particles are determined by utilizing the measured rapidity distributions, 𝑑⁢𝑁/𝑑⁢𝑦. Furthermore, we present the energy, centrality, and rapidity dependence of the compound yield ratios (𝑁 𝑝 ×𝑁 𝑡 /𝑁$^{2}_{d}$) and compare them with various model calculations. Furthermore, the physics implications of these results on the production mechanism of light nuclei and the QCD phase structure are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Interfacial Dark Aging Is an Overlooked Source of Aqueous Secondary Organic Aerosol

In this work, the relative yields of aqueous secondary organic aerosols (aqSOAs) at the air–liquid (a–l) interface are investigated between photochemical and dark aging using in situ time-of-flight secondary ion mass spectrometry (ToF-SIMS). Our results show that dark aging is an important source of aqSOAs despite a lack of photochemical drivers. Photochemical reactions of glyoxal and hydroxyl radicals (•OH) produce oligomers and cluster ions at the aqueous surface. Interestingly, different oligomers and cluster ions form intensely in the dark at the a–l interface, contrary to the notion that oligomer formation mainly depends on light irradiation. Furthermore, cluster ions form readily during dark aging and have a higher water molecule adsorption ability. This finding is supported by the observation of more frequent organic water cluster ion formation. The relative yields of water clusters in the form of protonated and hydroxide ions are presented using van Krevelen diagrams to explore the underlying formation mechanisms of aqSOAs. Large protonated and hydroxide water clusters (e.g., (H2O)nH+, 17 < n ≤ 44) have reasonable yields during UV aging. In contrast, small protonated and hydroxide water clusters (e.g., (H2O)nH+, 1 ≤ n ≤ 17) form after several hours of dark aging. Moreover, cluster ions have higher yields in dark aging, indicating the overlooked influence of dark aging interfacial products on aerosol optical properties. Molecular dynamic simulation shows that cluster ions form stably in UV and dark aging. AqSOAs molecules produced from dark and photochemical aging can enhance UV absorption of the aqueous surface, promote cloud condensation nuclei (CCN) activities, and affect radiative forcing.

Van Krevelen diagram↗
DOE OSTI2020

Yield ratio of hypertriton to light nuclei in heavy-ion collisions from = 4.9 GeV to 2.76 TeV *

Abstract We argue that the difference in the yield ratio measured in Au+Au collisions at = 200 GeV and in Pb-Pb collisions at = 2.76 TeV is mainly owing to the different treatment of the weak decay contribution to the proton yield in the Au+Au collisions at = 200 GeV. We then use the coalescence model to extract from measured the information about the and nucleon density fluctuations at the kinetic freeze-out of heavy-ion collisions. We also show, using available experimental data, that the yield ratio is a more promising observable than for probing the local baryon-strangeness correlation in the produced medium.

Physics↗
DOE OSTI2020

Spectroscopy of 30 P and the abundance of 29 Si in presolar grains

The astrophysical 29 Si(p,γ) reaction is expected to play a key role in determining the final 29 Si yields ejected in nova explosions. Such yields are used to accurately identify the stellar origins of meteoritic stardust and recently, distinctive silicon isotopic ratios have been extracted from a number of presolar grains. Here, the light-ion 28 Si( 3 He,p) fusion-evaporation reaction was used to populate low-spin proton-unbound excited states in the nucleus 30 P that govern the rate of the astrophysical 29 Si(p,γ) reaction. In particular, γ decays were observed from resonances up to E r = 500keV, and key resonances at 217 and 315 keV have now been identified as 2 + and 2¯ levels, respectively. Here, the present paper provides the first estimate of the 217-keV resonance strength and indicates that the strength of the 315-keV resonance, which dominates the rate of the 29 Si(p,γ) reaction over the entire peak temperature range of oxygen-neon novae, is higher than previously expected. As such, the abundance of 29 Si ejected during nova explosions is likely to be less than that predicted by the most recent theoretical models.

20 ≤ A ≤ 38↗
DOE OSTI2024

Impact of the MARATHON data on F 2⁢n⁡ /F 2⁢p and off-shell effects in light nuclei

The neutron structure function, F 2⁢n⁡ , has historically been extracted from measurements of the deuteron structure function, which is limited by our understanding of the nuclear effects on the bound proton and neutron. The MARATHON Collaboration recently extracted F 2⁢n⁡ from the comparison of 3 H and 3 He targets, where the nuclear effects are larger but nearly identical, yielding a precise extraction of F 2⁢n⁡ /F 2⁢p . Here, to ensure that this comparison is not biased by the specific model of nuclear effects used by MARATHON, we examine a range of models of the nuclear effects to obtain a more conservative, but more model-independent, extraction of F 2⁢n⁡ /F 2⁢p for comparison with deuteron extractions. Even with this approach, the results are precise enough to compare to deuteron extractions, providing new constraints on the nuclear effects in the deuteron and indicating the need for larger nuclear corrections than those included in most models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Protonic Ceramic Electrochemical Cells for Synthesizing Sustainable Chemicals and Fuels

Abstract Protonic ceramic electrochemical cells (PCECs) have been intensively studied as the technology that can be employed for power generation, energy storage, and sustainable chemical synthesis. Recently, there have been substantial advances in electrolyte and electrode materials for improving the performance of protonic ceramic fuel cells and protonic ceramic electrolyzers. However, the electrocatalytic materials development for synthesizing chemicals in PCECs has gained less attention, and there is a lack of systematic and fundamental understanding of the PCEC reactor design, reaction mechanisms, and electrode materials. This review comprehensively summarizes and critically evaluates the most up‐to‐date progress in employing PCECs to synthesize a wide range of chemicals, including ammonia, carbon monoxide, methane, light olefins, and aromatics. Factors that impact the conversion, selectivity, product yield, and energy efficiencies are discussed to provide new insights into designing electrochemical cells, developing electrode materials, and achieving economically viable chemical synthesis. The primary challenges associated with producing chemicals in PCECs are highlighted. Approaches to tackle these challenges are then offered, with a particular focus on deliberately designing electrode materials, aiming to achieve practically valuable product yield and energy efficiency. Finally, perspectives on the future development of PCECs for synthesizing sustainable chemicals are provided.

03 NATURAL GAS↗
DOE OSTI2023

Search for leptonic charge asymmetry in $t\overline{t}W$ production in final states with three leptons at $\sqrt{s}$ = 13 TeV

A search for the leptonic charge asymmetry (${A}_{c}^{\ell}$) of top-quark-antiquark pair production in association with a $W$ boson ($t\overline{t}W$) is presented. The search is performed using final states with exactly three charged light leptons (electrons or muons) and is based on $\sqrt{s}$= 13 TeV proton-proton collision data collected with the ATLAS detector at the Large Hadron Collider at CERN during the years 2015–2018, corresponding to an integrated luminosity of 139 fb –1 . A profile-likelihood fit to the event yields in multiple regions corresponding to positive and negative differences between the pseudorapidities of the charged leptons from top-quark and top-antiquark decays is used to extract the charge asymmetry. At reconstruction level, the asymmetry is found to be –0.12 ± 0.14 (stat.) ± 0.05 (syst.). An unfolding procedure is applied to convert the result at reconstruction level into a charge-asymmetry value in a fiducial volume at particle level with the result of –0.11 ± 0.17 (stat.) ± 0.05 (syst.). The Standard Model expectations for these two observables are calculated using Monte Carlo simulations with next-to-leading-order plus parton shower precision in quantum chromodynamics and including next-to-leading-order electroweak corrections. They are ${–0.084}_{–0.003}^{+0.005}$ (scale) ± 0.006 (MC stat.) and ${–0.063}_{–0.004}^{+0.007}$ (scale) ± 0.004 (MC stat.) respectively, and in agreement with the measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Leveraging Multiproton-Coupled Electron Transfer to Improve Ir(III) Photocatalyst Efficiency

In photoredox reactions, charge recombination (CR) limits quantum yields, hindering the efficient conversion of light energy into catalytic activity. To address this, we drew inspiration from redox relays in photosystem II (PSII) and developed a new series of iridium(III) complexes featuring covalently attached benzimidazole-phenol-pyridine (BIP-Py) groups to facilitate intramolecular multiproton-coupled electron transfer (MPCET). Herein, we evaluate the effects of MPCET through an extended and well-defined hydrogen-bond network to improve photocatalytic activity and mitigate rapid charge recombination. Infrared spectroelectrochemistry reveals pyridine protonation upon phenol oxidation, while visible spectroelectrochemistry and transient absorption spectroscopy confirm the electro- and photochemical formation of chargeseparated states (CSS) involving oxidized BIP, resulting from intramolecular proton-coupled electron transfer (PCET). The application of the BIP-Py platform in a photocatalytic Nhydroxyphthalimide ester reduction reaction resulted in a ∼106-fold reduction in CR rate and a quantum yield enhancement of up to 157%. Our findings suggest that incorporating MPCET-based redox relays into photocatalyst frameworks is an effective strategy to enhance the efficiency of photocatalytic systems.

Catalysts↗
DOE OSTI2023

Light (anti)nuclei production in Pb-Pb collisions at s N N = 5.02 TeV

The measurement of the production of deuterons, tritons and 3 He and their antiparticles in Pb-Pb collisions at $\sqrt{s_{NN}}$= 5.02 TeV is presented in this article. The measurements are carried out at midrapidity (|y| < 0.5) as a function of collision centrality using the ALICE detector. The p T -integrated yields, the coalescence parameters and the ratios to protons and antiprotons are reported and compared with nucleosynthesis models. The comparison of these results in different collision systems at different center-of-mass collision energies reveals a suppression of nucleus production in small systems. In the Statistical Hadronisation Model framework, this can be explained by a small correlation volume where the baryon number is conserved, as already shown in previous fluctuation analyses. However, a different size of the correlation volume is required to describe the proton yields in the same data sets. The coalescence model can describe this suppression by the fact that the wave functions of the nuclei are large and the fireball size starts to become comparable and even much smaller than the actual nucleus at low multiplicities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Improved description of light nuclei through chiral effective field theory at leading order

Here, we propose an arrangement of the most commonly invoked version of the two-nucleon chiral potential such that the low-lying amplitude zero of the 1 S 0 partial wave is captured at leading order of the effective expansion. Adopting other partial waves from the LENPIC interaction, we show how this modification yields an improved description of ground-state energies and point-proton radii of the 3 H, 4 He, and 6 He nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A Comparison of High Intensity Proton Efficiencies for Rf Harmonics 1 and 2

There have been many changes to the Booster setup over the past seven years, but the most fundamental physical change is probably the change from an Rf harmonic of 2 to 1. By looking at the intensity data over this period it is possible to compare the running efficiencies in each case. The harmonic change occurred at the beginning of the 1998 run. Another fundamental, though administrative, change that occurred after the 1998 run was the advent of ALARA alarms that limit the amount of beam loss that is allowed to occur during different parts of the cycle. These ALARA alarm limits also depend on the AGS repetition period since it is the amount of beam energy lost per unit time that is used as the criterion for these alarms. The 1998 h=1 run did not have an ALARA constraint, but subsequent h=1 runs did have that constraint. The highest Booster proton intensity was obtained in the h=2 mode (about 23 Tp). At best, the h=1 mode only yielded about 20 Tp per cycle. Is it because the h=2 setup can produce higher intensity than the h=1 setup that the h=2 intensity was higher, or is it because other factors are responsible? This note seeks to shed some light on this question. In order to compare the two setups (h=1 vs. h=2) intensity scaler data was taken from the setup books over the past seven years. In general, this data was taken when the Booster was in an optimized state. What ‘optimized’ means is not so clearly defined, but would typically mean that the Booster configuration was ‘optimized’ so that it yields the highest intensity late in the AGS given physical and other constraints.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization

The efficient preparation of single-crystalline ionic polymers and fundamental understanding of their structure–property relationships at the molecular level remains a challenge in chemistry and materials science. Herein, we observe the single-crystal structure of a highly ordered polycationic polymer (polyelectrolyte) and its proton conductivity. The polyelectrolyte single crystals can be prepared on a gram-scale in quantitative yield, by taking advantage of an ultraviolet/sunlight-induced topochemical polymerization, from a tricationic monomer—a self-complementary building block possessing a preorganized conformation. A single-crystal-to-single-crystal photopolymerization was revealed unambiguously by in situ single-crystal X-ray diffraction analysis, which was also employed to follow the progression of molecular structure from the monomer, to a partially polymerized intermediate, and, finally, to the polymer itself. Collinear polymer chains are held together tightly by multiple Coulombic interactions involving counterions to form two-dimensional lamellar sheets (1 nm in height) with sub-nanometer pores (5 Å). The polymer is extremely stable under 254 nm light irradiation and high temperature (above 500 K). The extraordinary mechanical strength and environmental stability—in combination with its impressive proton conductivity (~3 × 10 –4 S cm –1 )—endow the polymer with potential applications as a robust proton-conducting material. By marrying supramolecular chemistry with macromolecular science, the outcome represents a major step toward the controlled synthesis of single-crystalline polyelectrolyte materials with perfect tacticity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Direct-photon production in inelastic and high-multiplicity proton–proton collisions at $\sqrt{s}$ = 13 TeV

In this letter, we present the first measurement of direct photons at the transverse momentum of 1 < 𝑝 T < 6 GeV/𝑐 at midrapidity 𝜂 < 0.8 in inelastic and high-multiplicity proton–proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV. The fraction of virtual direct photons in the inclusive virtual photon spectrum is obtained from a fit to the dielectron invariant mass spectrum. In the limit of zero invariant mass, this fraction is equal to the relative contribution of real direct photons in the inclusive real photon spectrum. Contributions from decays of light- flavour neutral mesons are estimated using independent measurements in proton–proton collisions at the same energy and the same event class. For the first time at the LHC energies, a direct-photon signal is observed at low 𝑝T in both inelastic and high-multiplicity event classes, with a significance of 3.2𝜎 and 1.9𝜎 in terms of standard deviations, correspondingly. The yield of direct photons in inelastic pp collisions is compared to perturbative QCD calculations. The integrated photon yield is studied as a function of charged-particle multiplicity and is compared to the results from other experiments and theoretical calculations. The results show a significant increase of direct- photon yield with charged-particle multiplicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗