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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 145 records · Page 8
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DOE OSTI2021

Photoionization from the Xe 4d orbitals of XeF 2

Here, we present a comparison of the photoionization dynamics of the 4d shell of XeF 2 from threshold to 250 eV to those of the prototypical 4d shell of atomic Xe. The new experimental data include spin–orbit and ligand-field-resolved partial cross sections, photoelectron angular distributions, branching fractions, and lifetime widths for the 4d-hole states. The spin–orbit branching fractions and angular distributions are remarkably similar to the corresponding distributions from atomic Xe across a broad energy interval that includes both the intense shape resonance in the f continuum and a Cooper minimum in the same channel. The angular distributions and branching fractions are also in reasonably good agreement with our first-principles theoretical calculations on XeF 2 . Data are also presented on the lifetime widths of the substate-resolved 4d-hole states of XeF 2 . While the trends in the widths are similar to those in the earlier experimental and theoretical work, the linewidths are considerably smaller than in the previous measurements, which may require some reinterpretation of the decay mechanism. Finally, we present new data and an analysis of the Auger electron spectra for ionization above the 4d thresholds and resonant Auger spectra for several pre-edge features.

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

Formation and Redshift Evolution of Dark Matter Spikes

Dark matter density spikes forming around adiabatically growing black holes can dramatically enhance indirect and direct detection signals. Canonical predictions, however, assume a zero-mass seed in a purely dark matter environment and do not track the long-term dynamical impact of surrounding stars. We present a semi-analytic framework that first generalizes adiabatic spike formation to include finite seed masses, stellar cusps, and non-circular orbits, and then studies the subsequent cosmic evolution by solving coupled Fokker-Planck equations for the dark matter and stellar phase-space distributions, with a heating rate modulated by the cosmic star formation rate. Starting conservatively from canonical Gondolo-Silk spikes and marginalizing over astrophysical uncertainties, we find that stellar gravitational heating drives the inner slope towards $γ_χ\simeq 1.5$ within a few Gyrs (e.g by $z \lesssim 2$ for spikes formed at $z\simeq 10$), yielding overdensities two to four orders of magnitude below canonical expectations but still well above an NFW-like cusp. We provide redshift-dependent benchmarks for the column density and $J$-factor relevant to scattering, decay and annihilation signatures. Any robust interpretation of indirect dark matter signals from galactic nuclei must account for this evolution.

Herrera, Gonzalo [MIT, LNS; MIT, MKI; Harvard U.]↗
DOE OSTI2021

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Evidence for flare-accelerated particles in large scale loops in the behind-the-limb gamma-ray solar flare of September 29, 2022

We report on the detection of the gamma-ray emission above 100 MeV from the solar flare of September 29, 2022, by Fermi LAT with simultaneous coverage in HXR by Solar Orbiter STIX. The Solar Orbiter-Earth separation was 178° at the time of the flare as seen from Earth, with Solar Orbiter observing the east limb. Based on STIX imaging, the flare was located 16° behind the eastern limb as seen from Earth. The STIX and GBM non-thermal emission and the LAT emission above 100 MeV all show similarly shaped time profiles, and the Fermi profiles peaked only 20 s after the STIX signal from the main flare site, setting this flare apart from all the other occulted flares observed by Fermi LAT. The radio spectral imaging based on the Nançay Radioheliograph and ORFEES spectrograph reveal geometries consistent with a magnetic structure that connects the parent active region behind the limb to the visible disk. We studied the basic characteristics of the gamma-ray time profile, in particular, the rise and decay times and the time delay between the gamma-ray and HXR peak fluxes. We compared the characteristics of this event with those of four Fermi LAT behind-the-limb flares and with an on-disk event and found that this event is strikingly similar to the impulsive on-disk flare. Based on multiwavelength observations, we find that the gamma-ray emission above 100 MeV originated from ions accelerated in the parent active region behind the limb and was transported to the visible disk via a large magnetic structure connected to the parent active region behind the limb. Our results strongly suggest that the source of the emission above 100 MeV from the September 29, 2022 flare cannot be the CME-driven shock.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Sheath constraints on turbulent magnetised plasmas

Abstract A solid target in contact with a plasma charges (negatively) to reflect the more mobile species (electrons) and thus keep the bulk plasma quasineutral. To shield the bulk plasma from the charged target, there is an oppositely (positively) charged sheath with a sharp electrostatic potential variation on the Debye length scale λ D . In magnetised plasmas where the magnetic field is inclined at an oblique angle α with the target, some of the sheath potential variation occurs also on the ion sound gyroradius length scale ρ S cos ⁡ α , caused by finite ion gyro-orbit distortion and losses. We consider a collisionless and steady-state magnetised plasma sheath whose thickness l ms ∼ max ( λ D , ρ S cos ⁡ α ) is smaller than the characteristic length scale L of spatial fluctuations in the bulk plasma, such that the limit l ms / L → 0 is appropriate. Spatial structures are assumed to be magnetic field-aligned. In the case of small magnetic field angle α ∼ δ ≡ ρ S / L ≪ 1 , electric fields tangential to the target transport ions towards the target via E × B drifts at a rate comparable to the one from parallel streaming. A generalised form of the kinetic Bohm–Chodura criterion at the sheath entrance is derived by requiring that the sheath electric field have a monotonic spatial decay far from the target. The criterion depends on tangential gradients of potential and ion distribution function, with additional nontrivial conditions.

kinetic Bohm–Chodura condition↗
DOE OSTI2023

Experimental study of the S 38 excited level scheme

Information on the 38 S level scheme was expanded through experimental work utilizing a fusion-evaporation reaction and in-beam γ-ray spectroscopy. Prompt γ-ray transitions were detected by the Gamma-Ray Energy Tracking Array (GRETINA) and recoiling 38 S residues were selected by the Fragment Mass Analyzer (FMA). Tools based on machine-learning techniques were developed and deployed for the first time in order to enhance the unique selection of 38S residues and identify any associated γ-ray transitions. The new level information, including the extension of the even-spin yrast sequence through J π =8( + ), was interpreted in terms of a basic single-particle picture as well shell-model calculations which incorporated the empirically derived FSU interaction. A comparison between the properties of the yrast states in the even-Z, N = 22 isotones from Z = 14 to 20, and for 36 Si– 38 S in particular, was also presented with an emphasis on the role and influence of the neutron 1 p 3/2 orbital on the structure in the region.

20 ≤ A ≤ 38↗
DOE OSTI2021

Neutron occupancies and single-particle energies across the stable tin isotopes

The occupancies and vacancies of the valence neutron orbitals across the stable tin isotopic chain from 112 ≤ A ≤ 124 have been determined. These were inferred from the cross sections of neutron adding and -removing reactions. In each case, the reactions were chosen to have good angular momentum matching for transfer to the low- and high-` orbitals present in this valence space. Here, these new data are compared to older systematic studies. The effective single-neutron energies are determined by combining information from energy centroids determined from the adding and removing reactions. Two of the five orbitals are nearly degenerate, below N = 64, and approximately two MeV more bound than the other three, which are also degenerate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Ab Initio Study of the Beryllium Isotopes 7 Be to 12 Be

We present a systematic ab initio study of the low-lying states in beryllium isotopes from 7 Be to 12 Be using nuclear lattice effective field theory with the N 3 ⁢LO interaction. Our calculations achieve good agreement with experimental data for energies, radii, and electromagnetic properties. We introduce a novel, model-independent method to quantify nuclear shapes, uncovering a distinct pattern in the interplay between positive and negative parity states across the isotopic chain. By combining Monte Carlo sampling of the many-body density operator with a novel nucleon-grouping algorithm, the prominent two-center cluster structures, the emergence of one-neutron halo, complex nuclear molecular dynamics such as 𝜋 orbital and 𝜎 orbital, emerge naturally.

binding energy & masses↗
DOE OSTI2026

Data for "Plasmon-driven exciton formation in a non-equilibrium Fermi liquid"

This repository contains source data for key plots presented in the manuscript "Plasmon-driven exciton formation in a non-equilibrium Fermi liquid." Experimental data that was analyzed in Igor Pro 8 are presented as the .pxp files used to generate individual sub-plots. Electronic spectral function calculations are provided as .txt files, in which consecutive rows refer to the meshgrid x coordinate, y coordinate, spectral function (and, where relevant, axis-projected local angular momentum). We additionally include the Wannier model and DFT-obtained bulk band structure on which the Wannier model was based. Files are named as the number of the figure in the manuscript to which they correspond, with additional details included where necessary. Details of file names: 2a_DOS_Lxz_Ek_KGM_40layer_xnum_800kpt_tot.txt: Density of states, xz-axis projected local orbital angular momentum, for 800 points along the K-Gamma-M path, for a 40-layer model. 2c_composite_y.pxp: ARPES (angle-resolved photoemission spectroscopy) spectra along the ky axis, including both a scan near the Fermi level and a scan at high kinetic energies. 2d_LCP_RCP_diff_Sect_20K.pxp: difference between ARPES constant energy cuts at T=20 K at E0 + 0.23 eV taken with left- and right-circularly polarized photons. The polarization-integrated intensity at the constant energy cut is also included. 2e_DOS_L45_E11pt79_m0pt25to0pt25_xnum_800kpt_tot.txt: Density of states, xz-projected local orbital angular momentum, and corresponding k-points in two dimensions from ab-initio electronic structure calculations for a constant-energy cut. 3a_[x]_[y]ps: ARPES cut under excitation at a fluence of x uJ/cm2, measured y ps after photoexcitation. Measurements were performed at 9 K. 3b_[x]: Energy distribution curves under excitation at a fluence x uJ/cm2 at selected delay times after photoexcitation. 4a_ImSigma_vs_temperature.pxp: Imaginary self energy (extracted from ARPES linewidths) at different energies above E0 for selected lattice temperatures. 4b_EELS_lowE.pxp: Electron energy loss spectrum over a low energy range 5b_diff_55m15.pxp: Difference between momentum-integrated Tr-ARPES traces at 55 uJ/cm2 and 15 uJ/cm2 photoexcitation. Time-dependent intensity at each energy level has been normalized to a maximum of 1 for each individual fluence prior to subtraction. 5d_invtau_at_EX_vs_fluence.pxp: decay rate at a specified energy EX for different excitation fluences, from single exponential fits. NOTE: Analyses based on the Wannier model presented here should cite both the associated Article and this dataset. For all other files in the repository, citing the dataset alone is sufficient.

Acharya, Rishi [University of Illinois] (ORCID:000↗
DOE OSTI2023

Comprehensively Strengthened Metal‐Oxygen Bonds for Reversible Anionic Redox Reaction

Introducing anionic redox in layered oxides is an effective approach to breaking the capacity limit of conventional cationic redox. However, the anionic redox reaction generally suffers from excessive oxidation of lattice oxygen to O 2 and O 2 release, resulting in local structural deterioration and rapid capacity/voltage decay. Here, a Na 0.71 Li 0.22 Al 0.05 Mn 0.73 O 2 (NLAM) cathode material is developed by introducing Al 3+ into the transition metal (TM) sites. Thanks to the strong Al–O bonding strength and small Al 3+ radius, the TMO 2 skeleton and the holistic TM–O bonds in NLAM are comprehensively strengthened, which inhibits the excessive lattice oxygen oxidation. The obtained NLAM exhibits a high reversible capacity of 194.4 mAh g —1 at 20 mA g —1 and decent cyclability with 98.6% capacity retention over 200 cycles at 200 mA g —1 . In situ characterizations reveal that the NLAM experiences phase transitions with an intermediate OP4 phase during the charge–discharge. Theoretical calculations further confirm that the Al substitution strategy is beneficial for improving the overlap between Mn 3d and O 2p orbitals. Importantly, this finding sheds light on the design of layered oxide cathodes with highly reversible anionic redox for sodium storage.

25 ENERGY STORAGE↗
DOE OSTI2025

Global Simulations of Gravitational Instability in Protostellar Disks with Full Radiation Transport. II. Locality of Gravitoturbulence, Clumpy Spirals, and Implications for Observable Substructure

Spiral perturbations in a gravitationally unstable accretion disk regulate disk evolution through angular momentum transport and heating and provide an observational signature of gravitational instability (GI). We use global 3D simulations to systematically characterize and understand these spiral perturbations. The spiral perturbations and the resulting transport are overall insensitive to the cooling type, with the exception that radiative cooling, especially in the optically thick regime, reduces the amplitude of temperature perturbations. Spiral perturbations are localized around corotation, allowing transport to be approximated by a local α viscosity to zeroth order in aspect ratio (H/R), but only after averaging over multiple orbits in time and/or multiple scale heights in space. Meanwhile, large-amplitude perturbations from strong gravitoturbulence can cause $\mathcal{O}$(α 1/2 ) deviation in the cooling rate of the disk. We develop empirical prescriptions for the angular momentum transport, heating, and cooling in a gravitoturbulent disk that capture the deviation from a viscous, unperturbed disk to first order in H/R and α 1/2 . The spiral perturbations in saturated gravitoturbulence are clumpy, with dense clumps forming through the nonlinear coupling between multiple modes at different m. Observationally, the clumpy gravitoturbulence produced by saturated GI can be mistaken with observational noise or embedded companions, especially under finite resolution. Meanwhile, grand-design spirals with m-fold symmetry may be uncommon among disks in saturated gravitoturbulence, and we speculate that they may instead be a signature of recently triggered or decaying GI.

Gravitational instability↗
DOE OSTI2021

Nuclear energy density functionals grounded in ab initio calculations

Here, we discuss the construction of a nuclear energy density functional (EDF) from ab initio computations and advocate the need for a methodical approach that is free from ad hoc assumptions. The equations of state (EoSs) of symmetric nuclear and pure neutron matter are computed using the chiral NNLO sat and the phenomenological AV4' + UIX c Hamiltonians as inputs to self-consistent Green's function (SCGF) and auxiliary field diffusion Monte Carlo (AFDMC) methods. We propose a convenient parametrization of the EoS as a function of the Fermi momentum and fit it on the SCGF and AFDMC calculations. We apply the ab initio based EDF to carry out an analysis of the binding energies and charge radii of different nuclei in the local density approximation. The NNLO sat -based EDF produces encouraging results, whereas the AV4' + UIX c -based one is farther from experiment. Possible explanations of these different behaviors are suggested, and the importance of gradient and spin-orbit terms is analyzed. Our paper paves the way for a practical and systematic way to merge ab initio nuclear theory and density functional theory, while shedding light on some critical aspects of this procedure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

g 9/2 neutron strength in the N = 29 isotones and the 52 Cr(d,p)⁢ 53 Cr reaction

We performed a measurement of the 52 Cr(d,p)⁢⁢ 53 Cr reaction at 16 MeV using the Florida State University Super-Enge Split-Pole Spectrograph (SE-SPS) and observed 26 states. While all of the states observed here had been seen in previous (d,p) experiments, we changed five L assignments from those reported previously and determined L values for nine states that had not had such assignments made previously. The g 9/2 neutron strength observed in 53 Cr in the present work and in the N = 29 isotones 49 Ca, 51 Ti, and 55 Fe via (d,p) reactions is much smaller than the sum rule for this strength. Most of the observed L = 4 strength in these nuclei is located in states near 4 MeV excitation energy. The remaining g 9/2 strength may be located in the continuum or may be fragmented among many bound states. A covariant density-functional theory calculation provides support for the hypothesis that the g 9/2 neutron orbit is unbound in 53 Cr. The (α, 3 He) reaction may provide a more sensitive probe for the missing g 9/2 neutron strength. Additionally, particle-γ coincidence experiments may help resolve some remaining questions in this nucleus.

39 ≤ A ≤ 58↗
DOE OSTI2023

X-ray induced electron and ion fragmentation dynamics in IBr

Characterization of the inner-shell decay processes in molecules containing heavy elements is key to understanding x-ray damage of molecules and materials and for medical applications with Auger-electron-emitting radionuclides. The 1s hole states of heavy atoms can be produced by absorption of tunable x rays and the resulting vacancy decays characterized by recording emitted photons, electrons, and ions. The 1s hole states in heavy elements have large x-ray fluorescence yields that transfer the hole to intermediate electron shells that then decay by sequential Auger-electron transitions that increase the ion’s charge state until the final state is reached. In molecules, the charge is spread across the atomic sites, resulting in dissociation to energetic atomic ions. We have used x-ray/ion coincidence spectroscopy to measure charge states and energies of Iq+ and Brq′+ atomic ions following 1s ionization at the I and Br K-edges of IBr. We present the charge states and kinetic energies of the two correlated fragment ions associated with core-excited states produced during the various steps of the cascades. Here, to understand the dynamics leading to the ion data, we develop a computational model that combines Monte-Carlo/Molecular-Dynamics (MC/MD) simulations with a classical over-the-barrier model to track inner-shell cascades and redistribution of electrons in valence orbitals and nuclear motion of fragments.

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

In-beam γ-ray spectroscopy of 62,64 Cr

The region of neutron-rich Cr isotopes has garnered much attention in recent years due to a rapid onset of collectivity near neutron number N = 40. We report here on the first γ-ray spectroscopy beyond the ($4$ $^{+}_{1}$) state in 62,64 Cr, using nucleon removal reactions from several projectiles within a rare-isotope beam cocktail. A candidate for the 6 + state in 64 Cr is presented as well as one for, possibly, the second excited 0 + state in 62 Cr. The results are discussed in comparison to the LNPS shell-model predictions that allow for neutron excitations across the N = 40 harmonic oscillator gap into the g 9/2 and d 5/2 orbitals. Here, the calculated level schemes for 62,64 Cr reveal intriguing collective structures. From the predicted neutron particle-hole character of the low-lying states in these Cr isotopes, 62 Cr emerges as a transitional system on the path to the center of the N = 40 island of inversion.

59 ≤ A ≤ 89↗
DOE OSTI2020

γ-ray measurements in fast-neutron-induced reactions on 203 Tl

Fast-neutron-induced reactions can be used to characterize reaction mechanisms, investigate nuclear structure, and impose constraints on nuclear models. Because of the difficulty in predicting such effects, experimental data are important to constrain models. Thallium isotopes located close to the doubly magic Pb 208 nucleus are important for comparison with shell-model calculations. Study the population of excited states in Tl 203 and lighter isotopes in such reactions. Our methods are as follows. γ -ray cross sections were measured. The data were taken by using the Germanium Array for Neutron-Induced Excitations spectrometer. The pulsed neutron source of the Los Alamos Neutron Science Center's Weapons Neutron Research facility provided neutrons in the energy range from 1 to 300 MeV. The time-of-flight technique was used to determine the incident neutron energies. Cross sections for emission of several γ rays in 20 reaction channels were determined. Candidates for the intruder 9 / 2 - state in Tl 203 , from the odd proton in the h 9 / 2 orbital, and the first 5 + states in Tl 202 , 204 , from admixture of configurations, were identified. The excitation energy of the candidate 9 / 2 - , π h 9 / 2 state is in good agreement with the theoretical prediction from a semi-empirical weak-coupling model and its half-life is in the range of tens of nanoseconds. The feeding of a previously known isomer in Tl 202 exhibits similarities with the feeding of other isomers in this mass region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Possible quenching of static neutron pairing near the N=98 deformed shell gap: Rotational structures in 160,161 Gd

A 160 Gd beam was accelerated to an energy of 1000 MeV and, separately, bombarded thick targets of 154 Sm and 164 Dy in order to observe neutron-rich, rare-earth nuclei via deep-inelastic collision processes. Gammasphere was utilized to observe g-ray emissions. Here, many new states and transitions were observed in 160 Gd as a result of so-called "unsafe" Coulomb excitation. The ground-state band in 160 Gd has been extended to I π = 20 + and a rotational band based on the K π = 4 + state, previously associated with a hexadecapole vibration, was observed up to 18 + . The quasiparticle configuration of the K π = 4 + band has been determined, and its unusual alignment behavior may result from a possible quenching of static neutron pairing. In addition, the band based on the [523]5/2 quasineutron orbital in 161 Gd was extended from 11/2 – to 33/2 – , and also displays the same unusual alignment behavior.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measuring autoionization decay lifetimes of optically forbidden inner valence excited states in neon atoms with attosecond noncollinear four-wave-mixing spectroscopy

Attosecond noncollinear four-wave-mixing spectroscopy with one attosecond extreme ultraviolet (XUV) pulse and two few-cycle near-infrared (NIR) pulses was used to measure the autoionization decay lifetimes of inner valence electronic excitations in neon atoms. After a 43-48-eV XUV photon excites a 2s electron into the 2s2p 6 (np) Rydberg series, broadband NIR pulses couple the 2s2p 6 3p XUV-bright state to neighboring 2s2p 6 3s and 2s2p 6 3d XUV-dark states. Controllable delays of one or both NIR pulses with respect to the attosecond XUV pulse reveal the temporal evolution of either the dark or bright states, respectively. Experimental lifetimes for the 3s, 3p, and 3d states are measured to be 7±2, 48±8, and 427±40 fs, respectively, with 95% confidence. Accompanying calculations with two independent ab initio theoretical methods, newstock and astra, verify the findings. The results support the expected trend that the autoionization lifetime should be longer for states that have a smaller penetration in the radial region of the 2s core hole, which in this case is for the higher angular momentum Rydberg orbitals. In conclusion, the underlying theory thus links the lifetime results to electron correlation and provides an assessment of the direct and exchange terms in the autoionization process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗