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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Semiclassical treatment of bottomonium suppression and regeneration in 𝑝 + Pb collisions

Here, we study bottomonium suppression in 𝑝 + Pb relative to 𝑝 + 𝑝 collisions at center-of-mass energies of $\sqrt{s_{NN}}$ = 5.02 and 8.16 TeV. Specifically, we combine cold nuclear matter effects (nuclear modifications of the parton densities, energy loss, and momentum broadening) with those from hot nuclear matter (suppression and regeneration) by implementing the formation of a quark-gluon plasma in hydrodynamic simulations. Bottomonium transport in the quark-gluon plasma is evaluated semiclassically, employing two different reaction rates. The first includes quasifree inelastic scattering and gluodissociation employing a perturbative coupling to the medium. The second is based on in-medium 𝑇-matrix calculations where the input potential is constrained by lattice quantum chromodynamics to extract the bottomonium masses and dissociation rates. These semiclassical results are compared to previous calculations in an open quantum system approach and to the experimental data. Predictions for 𝜒 𝑏 suppression at $\sqrt{s_{NN}}$ = 8.16 TeV are also presented.

Physics - Physics of elementary particles and fiel↗
DOE OSTI2020

Neutrino signal from proto-neutron star evolution: Effects of opacities from charged-current–neutrino interactions and inverse neutron decay

In this work, we investigate the impact of charged-current–neutrino processes on the formation and evolution of neutrino spectra during the deleptonization of proto-neutron stars. To this end we develop the full kinematics of these reaction rates consistent with the nuclear equation of state, including weak magnetism contributions. This allows us to systematically study the impact of inelastic contributions and weak magnetism on the $ν_e$ and $\bar{ν}_e$ luminosities and average energies. Furthermore, we explore the role of the inverse neutron decay, also known as the direct Urca process, on the emitted spectra of $\bar{ν}_e$. This process is commonly considered in the cooling scenario of cold neutron stars but has so far been neglected in the evolution of hot proto-neutron stars. We find that the inverse neutron decay becomes the dominating opacity source for low-energy $\bar{ν}_e$. Accurate three-flavor Boltzmann neutrino transport enables us to relate the magnitude of neutrino fluxes and spectra to details of the treatment of weak processes. This allows us to quantify the corresponding impact on the conditions relevant for the nucleosynthesis in the neutrino-driven wind, which is ejected from the proto-neutron star surface during the deleptonization phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Spectroscopic factors, overlaps, and isospin symmetry from an R -matrix point of view

Background: Spectroscopic factors, overlaps, and isospin symmetry are often used in conjunction with single-particle wave functions for the phenomenological analysis of nuclear structure and reactions. Many differing prescriptions for connecting these quantities to physically relevant asymptotic normalization constants or widths are available in the literature, but their relationship and degree of validity are not always clear. Purpose: This paper derives relationships among the above quantities of interest using well-defined methodology and starting assumptions. Method: R -matrix theory is used as the primary tool to interoperate among the quantities of interest to this work. Particular attention is paid to effects arising from beyond the nuclear surface, where isospin symmetry is strongly violated. Results: Relationships between the quantities of interest are derived. Example applications of these methods to mirror levels in nucleon + 12 C, nucleon + 16 O, and nucleon + 26 Al are presented. A new approach to multilevel mirror symmetry is derived and applied to the first three 2 + states of 18 O and 18 Ne. Conclusions: In this work, the relationship between the quantities of interest is clarified and certain procedures are recommended. It is found that the asymptotic normalization constant of the second 2 + state in 18 Ne deduced from the mirror state in 18 O is significantly larger than found in previous work. This finding has the effect of increasing the 17 F($\textit{p,γ}$) 18 Ne reaction rate in novae.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

High-precision mass measurement of Si 24 and a refined determination of the r p process at the A = 22 waiting point

We report a high-precision mass measurement of 24 Si, performed with the Low Energy Beam and Ion Trap (LEBIT) facility at the National Superconducting Cyclotron Laboratory. The atomic mass excess, 10 753.8 (37) keV, is a factor of 5 more precise than previous results. This substantially reduces the uncertainty of the 23 Al(p ,γ) 24 Si reaction rate, which is a key part of the rapid proton capture (rp) process powering type I x-ray bursts. Furthermore, the updated rate constrains the onset temperature of the (α,p) process at the 22 Mg waiting point to a precision of 9%.

20 ≤ A ≤ 38↗
DOE OSTI2023

Spin-parities of subthreshold resonances in the 18 F(p, α) 15 reaction

The 18 F(p,α) 15 O reaction is key to determining the 18 F abundance in classical novae. However, the cross section for this reaction has large uncertainties at low energies largely caused by interference effects. In this work, we resolve a longstanding issue with unknown spin-parities of subthreshold states in 19 Ne that reduces these uncertainties. The 20 Ne( 3 He, 4 He) 19 Ne neutron pick-up reaction was used to populate 19 Ne excited states, focusing on the energy region of astrophysical interest (≈ 6 – 7 MeV). The experiment was performed at the Triangle Universities Nuclear Laboratory using the high resolution Enge split-pole magnetic spectrograph. Spins and parities were found for states in the astrophysical energy range. In particular, the state at 6.133 MeV ($E^{cm}_{r}$ = –277 keV) was found to have spin and parity of 3/2 + and we confirm the existence of an unresolved doublet close to 6.288 MeV ($E^{cm}_{r}$ = –120 keV) with J π = 1/2 + and a high-spin state. Using these results, we demonstrate a significant factor of two decrease in the reaction rate uncertainties at nova temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Prospects and limitations for constraining light relics with primordial abundance measurements

The light relic density affects the thermal and expansion history of the early Universe, leaving a number of observable imprints. We focus on the primordial abundances of light elements produced during the process of big bang nucleosynthesis that are influenced by the light relic density. Primordial abundances can be used to infer the density of light relics and thereby serve as a probe of physics beyond the standard model. We calculate the observational uncertainty on primordial light element abundances and associated quantities that would be required in order for these measurements to achieve sensitivity to the light relic density comparable to that anticipated from upcoming cosmic microwave background surveys. We identify the nuclear reaction rates that need to be better measured to maximize the utility of future observations. In this work, we show that improved measurements of the primordial helium-4 abundance can improve constraints on light relics, while more precise measurements of the primordial deuterium abundance are unlikely to be competitive with cosmic microwave background measurements of the light relic density.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Robustness of neutron star merger simulations to changes in neutrino transport and neutrino-matter interactions

Binary neutron star mergers play an important role in nuclear astrophysics: Their gravitational wave and electromagnetic signals carry information about the equation of state of cold matter above nuclear saturation density, and they may be one of the main sources of r-process elements in the Universe. Neutrino-matter interactions during and after merger impact the properties of these electromagnetic signals and the relative abundances of the produced r-process elements. Existing merger simulations are, however, limited in their ability to realistically model neutrino transport and neutrino-matter interactions. Here, we perform a comparison of the impact of the use of state-of-the art two-moment or Monte Carlo transport schemes on the outcome of merger simulations, for a single binary neutron star system with a short-lived neutron star remnant [(5–10) ms]. We also investigate the use of different reaction rates in the simulations. While the best transport schemes generally agree well on the qualitative impact of neutrinos on the system, differences in the behavior of the high-density regions can significantly impact the collapse time and the properties of the hot tidal arms in this metastable merger remnant. The chosen interaction rates and transport algorithm as well as recent improvements by Radice et al. to the two-moment algorithms can all contribute to changes at the (10–30)% level in the global properties of the merger remnant and outflows. Furthermore, the limitations of previous moment schemes fixed by Radice et al. also appear sufficient to explain the large difference that we observed in the production of heavy-lepton neutrinos in a previous comparison of Monte Carlo and moment schemes in the context of a low-mass binary neutron star system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

High Explosive Ignition through Chemically Activated Nanoscale Shear Bands

Shock initiation and detonation of high explosives is considered to be controlled through hot spots, which are local regions of elevated temperature that accelerate chemical reactions. Using classical molecular dynamics, we predict the formation of nanoscale shear bands through plastic failure in shocked TATB high explosive crystal. By scale-bridging with quantum-based molecular dynamics, we show that shear bands exhibit lower reaction barriers. While shear bands quickly cool,they remain chemically activated and support increased reaction rates without the local heating typically evoked by the hot spot paradigm. We describe this phenomenon as chemical activation through shear banding

Chemistry - Inorganic↗
DOE OSTI2022

2,4–dinitroanisole transformation during advanced oxidation with ultraviolet light emitting diodes and hydrogen peroxide

This study investigated the kinetics and reaction mechanisms associated with advanced oxidation of 2,4-dinitroanisole (DNAN) with light emitting diodes (LEDs) in the UV/H2O2 process. The pseudo first-order reaction rate constants for DNAN oxidation depended on the H 2 O 2 /DNAN molar ratio and were between 0.017 and 0.026 min –1 . Hydroxyl radical scavenging was strongly implicated by the experimental results. High mass spectrophotometric chromatograms showed the presence of several by-products, including three with ecotoxicity that is greater than that of DNAN. Transformation pathways were analysed using Density Functional Theory (DFT), which helped to predict the presence of experimentally detected DNAN by-products by considering Mulliken charges. Furthermore, this study is the first to elucidate DNAN transformation mechanisms using both experimental studies and computational chemistry.

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

The Effect of Pressure on NO x Entitlement and Reaction Timescales in a Premixed Axial Jet-In-Crossflow

This paper investigates the pressure dependency of a lean premixed jet injected into a lean vitiated crossflow with an experimentally verified detailed chemistry computational fluid dynamics (CFD) model and 53 species considered. Experimental data were taken in an axially staged combustor with an optically accessible test section, allowing the use of particle image velocimetry (PIV) and CH* chemiluminescence techniques as well as point measurement of species concentration, temperature, and pressure. The experimental data cases at one, three, and five atmospheres were selected to describe the flame stabilization dependency on pressure and gain the required knowledge for an extrapolation to engine condition. Simulated exit nitrogen oxide levels were validated with experimental emission data, and a global emission trend for the NO reduction at elevated pressure and constant turbine inlet temperature level was defined. The nitrogen oxide benefit at elevated operating pressure was justified with the significantly smaller flame surface area: the analysis of the simulated spanwise and top-view profiles showed a relatively short receded core flame with nitrogen oxide production in the center at high pressure relative to a longer and larger shear layer flame at atmospheric condition that produced NO toward the inner and outer side of the flame. Furthermore, decomposition of the Damköhler number revealed the strong influence of the reaction timescales with higher reaction rates at elevated pressure, along with a moderate influence of the turbulent timescales, showing higher turbulence intensity in the lee-side recirculation zone at lower pressure.

03 NATURAL GAS↗
DOE OSTI2021

Simulation of Premixed and Partially Premixed Jet-in-Crossflow Flames at High Pressure

In this paper, we explore the operational map of a lean axial-staged combustor of premixed and partially premixed reacting jet-in-crossflow flames at high -pressure (5 atm). This study attempts to expand the data to relatively high pressure and could significantly aid scaling to real gas turbine engine conditions at 20–30 atm. High-speed camera, particle image velocimetry (PIV), CH* chemiluminescence, temperature, and pressure measurements were taken and processed to allow accurate reconstruction of six operating points relative to computational fluid dynamics (CFD) simulations under minimal adjustments. Variation of lean main stage (φ = 0.575 and 0.73) and rich jet (φ = 1.1, 4, and 8) equivalence ratio has been investigated for a four mm axial jet. The fully premixed flames were found to be controlled by the crossflow temperature before ignition and the crossflow oxygen content during combustion. Analysis of flame shape and position for the partially premixed operating points describes a lee stabilized as well as a more unsteady windward flame branch. Adjustment of added jet fuel and crossflow temperature along with its corresponding oxygen level is required to attain a compact flame body. Here, the risk of delaying combustion progress is significantly increased at a richer jet φ = 8 and an overshooting, spatially divided flame was attained with a main stage φ = 0.73. Control toward a compact flame body is critical to allow combustion at reasonable reaction rate.

03 NATURAL GAS↗
DOE OSTI2023

Simulation of Methane Oxycombustion in Supercritical Carbon Dioxide

The Allam-Fetvedt Cycle (AFC) offers the potential for electricity generation with minimal or even negative carbon emissions by using oxycombustion in supercritical carbon dioxide (sCO2). Because of the extreme high temperatures and pressures encountered in these systems, simulation of oxycombustion requires use of a complex equation of state such as the modified Soave-Redlich-Kwong (SRK) equation, coupled with equally complex correlations for transport properties. The current work simulates a model combustor using both an ideal gas equation of state and the SRK equation of state. The model combustor features a jet of CH4 mixing with and reacting with O2 in the sCO2 ambient. Two jet configurations are considered: one of pure CH4, and one of CH4 mixed with sCO2. Comparison of results shows that key output properties such as combustor temperature and flow distribution are impacted by the choice of equations of state. Inspection of simulation results shows that mixing and reaction rates, as well as the uniformity of the flow, are impacted by the choice of equation of state. These results show that even though use of a complex equation of state greatly increases the computational costs of these simulations, it is critical to accurately capturing the physics of these systems.

computational fluid dynamics↗
DOE OSTI2024

Comparative study of quarkonium transport in hot QCD matter

This document summarizes the efforts of the EMMI Rapid Reaction Task Force on “Suppression and (re)generation of quarkonium in heavy-ion collisions at the LHC”, centered around their 2019 and 2022 meetings. It provides a review of existing experimental results and theoretical approaches, including lattice QCD calculations and semiclassical and quantum approaches for the dynamical evolution of quarkonia in the quark-gluon plasma as probed in high-energy heavy-ion collisions. The key ingredients of the transport models are itemized to facilitate comparisons of calculated quantities such as reaction rates, binding energies, and nuclear modification factors. A diagnostic assessment of the various results is attempted and coupled with an outlook for the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Prospects for Engineering Biophysical CO 2 Concentrating Mechanisms into Land Plants to Enhance Yields

Although cyanobacteria and algae represent a small fraction of the biomass of all primary producers, their photosynthetic activity accounts for roughly half of the daily CO 2 fixation that occurs on Earth. These microorganisms are able to accomplish this feat by enhancing the activity of the CO 2 -fixing enzyme Rubisco using biophysical CO 2 concentrating mechanisms (CCMs). Biophysical CCMs operate by concentrating bicarbonate and converting it into CO 2 in a compartment that houses Rubisco (in contrast with other CCMs that concentrate CO 2 via an organic intermediate, such as malate in the case of C 4 CCMs). This activity provides Rubisco with a high concentration of its substrate, thereby increasing its reaction rate. The genetic engineering of a biophysical CCM into land plants is being pursued as a strategy to increase crop yields. This review focuses on the progress toward understanding the molecular components of cyanobacterial and algal CCMs, as well as recent advances toward engineering these components into land plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Transport Processes in a Li-ion Cell during an Internal Short-Circuit

Internal short-circuit in a lithium-ion cell causes an abrupt increase in cell temperature and triggers subsequent thermal runaway. In this work, we present a detailed electrochemical-thermal model to investigate the physical behavior during an internal short-circuit. Simulations at wide range of heat transfer coefficients and short-circuit resistances are conducted to illustrate electrochemical and thermal behavior under a wide range of conditions. The Joule heating at the shorted region promotes electrochemical reactions nearby, causing in-plane non-uniformity of electrolyte and active material transport. Furthermore, it is found that diffusion in solid active materials plays a significant role at very high shorting currents (~20 C), as electrochemical reactions rate are being controlled progressively more by availability of Li + at the interface, due to limitations in diffusion through the active material with increasing discharge rates. This diffusion limitation causes a drop in available energy, and subsequently a decrease in cell equilibrium potential and the heat generation rate at the location of the short. On the other hand, rapid depletion of lithium concentration in the electrolyte and accumulation on the electrode surface results in highly non-uniform transport properties resulting in higher heat generation rates. Hence, the heating regime shifts from "local heating" to "global heating". Based on the findings, important design parameters for battery safety are discussed.

25 ENERGY STORAGE↗
DOE OSTI2020

Development of an Electrochemical Hydrogen Contaminant Detector

Hydrogen refueling stations (HRSs) that dispense hydrogen to fuel cell vehicles need to ensure the quality of hydrogen to avoid contamination of the vehicle’s expensive fuel cell stacks. Currently, stations verify their fuel quality only periodically to ensure that they meet the strict fuel quality standards specified by either International Organization for Standards (ISO) or Society for Automotive Engineers (SAE). The development of hydrogen contaminant detectors (HCDs) that can provide low cost continuous monitoring at the HRS can be an invaluable asset in protecting fuel cell vehicles from any fuel contamination in-between infrequent expensive analysis of hydrogen fuel quality. An HCD capable of detecting < 200 ppb of CO in hydrogen is presented in this paper. The HCD is based on an electrochemical hydrogen pumping cell whose ultra-low loaded working electrode is poisoned by the contaminant, thus reducing its hydrogen oxidation reaction rate. The hydrogen pumping cell consists of a Nafion® membrane, a sputtered Pt working electrode, a Pt/Ru counter/pseudo-reference electrode and an internal water wicking system that provides humidification to the membrane and electrodes. When this HCD is operated in a pulsed voltammetry mode, it can provide stable CO response for thousands of hours in a HRS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Ionomer Optimization for Hydroxide-Exchange-Membrane Water Electrolyzers Operated with Distilled Water: A Modeling Study

The hydroxide-exchange-membrane water electrolyzer (HEMWE) is a promising means to store intermittent renewable energy in the form of hydrogen chemical energy. The hydroxide-exchange ionomer (HEI) in the gas-evolving electrodes and the hydroxide-exchange membrane (HEM) are key components of HEMWE. In this work, we simulate the cell and examine explicitly the impact of HEI and HEM properties with a focus on improving HEMWE performance when operated with distilled water ( i.e ., no supporting electrolyte). The tradeoff between the ionic conductivity gain and electrochemically active surface area (ECSA) loss is studied. For a constant catalyst loading, distributing more catalyst next to the HEM or making thinner but denser catalyst layer is beneficial for HEMWE performance. The results demonstrate that a higher water diffusion coefficient is desired for HEM to supply reactant water to the cathode. In contrast, a lower water diffusion coefficient is preferred for the cathode HEI to retain the water in the regions with high reaction rates. Overall, the findings provide important insights to optimizing HEI/HEM materials for improved HEMWE performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The Effect of Sulfuric Acid Anodization on the Electrochemical Properties of Aluminum Alloy AlSi 10 Mg Prepared by Selective Laser Melting

Aluminum alloy, AlSi 10 Mg, prepared by selective laser melt (SLM) fabrication was anodized in 9.8% sulfuric acid (Type II) at 15 V for a total of 23 min. Experiments were performed to study the potentiostatic anodization process and its effects on the oxide coating morphology, thickness, and electrochemical properties of the alloy. Prior to anodization, the alloy microstructure is composed of aluminum cells encapsulated in a silicon network. Anodizing the abraded and polished AlSi 10 Mg surface produced a porous oxide layer with a thickness of 5μm. The oxide coating weight was 698 ± 29 mg/ft 2 . The oxide coating forms in the aluminum cells that are isolated from one another by the silicon eutectic phase. In electrochemical tests, the anodic and cathodic potentiodynamic polarization currents were suppressed by factors of 15× and 215×, respectively, as compared to the unanodized controls. The data indicate the anodic oxide coating suppresses the cathodic more than the anodic reaction rate. Linear polarization resistance (R p ) values increased by 279× after anodization. The corrosion current density values (j corr ) decreased by 133× after anodization. Taken together, the electrochemical data indicate the anodic oxide coating (unsealed) increases the corrosion resistance of the SLM alloy by two orders of magnitude.

Electrochemistry↗