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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Understanding Interfacial Electrochemical Reactions through in situ ec-STEM and IL-Cryo-STEM

A major criterion in the design of next generation materials for electrical energy storage applications is a comprehensive understanding of interfacial electrochemical reactions as well as correlating the structure and chemistry across site-specific electrode/electrolyte interfaces with electron, charge, and mass transport processes as they govern performance characteristics. Scanning transmission electron microscopy (STEM) based techniques have emerged as an indispensable materials characterization tool that provides high spatial resolution imaging and chemical analysis and has been effectively utilized to obtain an atomic to nanoscale view of the interfacial structure before and after electrochemical cycling. More recently, there have been several advances that now allows us to obtain more detailed mechanistic insight into evolving reactions through in situ ec-STEM and electrical biasing platforms such as in the understanding of the mechanisms of solid electrolyte interphase formation, lithium dendrite nucleation and growth mechanisms and ionic transport mechanisms within intercalation, conversion, and alloying electrode materials. Several major advantages of the in situ ec-STEM approach is the quantitative electrochemical measurement of charge passed during cycling with simultaneous analysis of the electrochemical processes with STEM imaging and diffraction. Here, while spectroscopic analysis of the electrochemical reactions products has been performed, there is the issue of beam sensitivity and therefore, Cryo-STEM imaging combined with electron energy loss spectroscopy (EELS) techniques have been employed to analyze the chemistry of the SEI and Li dendrites. In this talk, we discuss the potential for combining identical location (IL) STEM techniques with Cryo-EM. The advantage of using this approach is that the sample is placed on a conventional TEM grid and the exact same location of the specimen can be analyzed before and after quantitative electrochemical measurements. Moreover, since the sample is on the TEM grid, the grid itself can be prepared for further Cryo-TEM experiments by plunge freezing in liquid nitrogen then transferred to the Cryo-TEM under liquid nitrogen. Results obtain from these experiments can be used to enhance our scientific understanding of interfacial chemistry at electrode/electrolyte interfaces and may be useful in the design of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetized rotating isothermal winds

ABSTRACT We consider the general problem of a Parker-type non-relativistic isothermal wind from a rotating and magnetic star. Using the magnetohydrodynamics code athena++, we construct an array of simulations in the stellar rotation rate Ω* and the isothermal sound speed cT, and calculate the mass, angular momentum, and energy loss rates across this parameter space. We also briefly consider the 3D case, with misaligned magnetic and rotation axes. We discuss applications of our results to the spin-down of normal stars, highly irradiated exoplanets, and to nascent highly magnetic and rapidly rotating neutron stars born in massive star core-collapse.

Astronomy & Astrophysics↗
DOE OSTI2023

A phenomenological wobbling model for isolated pulsars and the braking index

ABSTRACT An isolated pulsar is a rotating neutron star possessing a very high magnetic dipole moment, thus providing a powerful radiating mechanism. These stars loose rotational energy E through various processes, including a plasma wind originating from a highly magnetized magnetosphere and the emission of magnetic dipole radiation (MDR). Such phenomena produce a time decreasing angular velocity Ω(t) of the pulsar that is usually quantified in terms of its braking index. Although these mechanisms are widely acknowledged as the primary drivers of the spin evolution of isolated pulsars, it is plausible that other contributing factors influencing this effect have yet to be comprehensively investigated. Most of young isolated pulsars present a braking index different from that given by the MDR and plasma wind processes. Working in the weak field (Newtonian) limit, we take in this work a step forward in describing the evolution of such a system by allowing the star’s shape to wobble around an ellipsoidal configuration as a backreaction effect produced by its rotational deceleration. It is assumed that an internal damping of the oscillations occurs, thus introducing another form of energy loss in the system, and this phenomenon may be related to the deviation of the braking index from the models based on $\dot{E} \sim -\Omega ^4$ predictions. Numerical calculations suggest that the average braking index for typical isolated pulsars can be thus explained by a simple phenomenological model.

Araujo, E. C. A. (ORCID:0000000213520879)↗
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 OSTI2026

Observation of Switchable Chiral Magnons in an Altermagnet

Chiral magnons, the quanta of handed spin waves, transport spin angular momentum without energy loss due to Joule heating. Here, the recently discovered altermagnets were proposed to host chiral magnons arising from a nonrelativistic exchange mechanism, similar to that in ferromagnets but without net magnetization, offering a stray-field-free platform for efficient magnon spin-current manipulation. In this Letter, we directly observed chiral magnons in the altermagnetic prototype MnTe using polarized inelastic neutron scattering. Furthermore, the magnon chirality was found to be reversibly switched by magnetic-field control, establishing a robust foundation for functional altermagnetic magnonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Spin and orbital excitations through the metal-to-insulator transition in Cd 2 Os 2 O 7 probed with high-resolution resonant inelastic x-ray scattering

Here, high-resolution resonant inelastic x-ray scattering measurements (ΔE=46meV) have been performed on Cd 2 Os 2 O 7 through the metal-to-insulator transition (MIT). A magnetic excitation at 125 meV evolves continuously through the MIT, in agreement with recent Raman-scattering results, and provides further confirmation for an all-in all-out magnetic ground state. Asymmetry of this feature is likely a result of coupling between the electronic and the magnetic degrees of freedom. We also observe a broad continuum of interband excitations centered at 0.3 eV energy loss. This is indicative of significant hybridization between Os 5d and O 2p states and the concurrent itinerant nature of the system. In turn, this suggests a possible breakdown of the free-ion model for Cd 2 Os 2 O 7 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

Standard density functionals like Perdew-Burke-Ernzerhof (PBE) or Strongly Constrained and Appropriately Normed (SCAN) need a correction to account for long-range van der Waals (vdW) interaction. The damped Zaremba-Kohn model (dZK) starts from a formula for the vdW interaction of a distant atom with a solid surface, both with known dielectric properties, damps this formula at short range, and then treats an adsorbed molecule or atomic layer as a collection of renormalized atoms. Here, we extend this model to graphene adsorbed on semiconducting layered materials [bulk graphite and hBN, and multilayer transition metal dichalcogenides (TMD)] by including the C 4 asymptotic term and multiple electrostatic image effects due to the two surfaces of the substrate slabs in the vdW calculations. The resulting SCAN-vdW-dZK and PBE-vdW-dZK give approximately the same results for the systems considered here, in agreement with available reference values. The predicted binding energies are roughly 25% lower than those from SCAN+rVV10 (revised Vydrov and Van Voorhis 2010), and ~15% lower than those from PBE+rVV10. Since SCAN+rVV10 usually overbinds, the predicted binding energies by SCAN-vdW-dZK and PBE-vdW-dZK are expected to be closer to the true values. The predicted equilibrium binding distances from SCAN-vdW-dZK and PBE-vdW-dZK are slightly larger (~ 0.1 Å) than those from SCAN+rVV10, and close to those from SCAN. The binding energy depends upon the number of substrate layers more strongly in vdW-dZK than in rVV10. The C 4 -term contributions can be 40% of the total vdW interactions, and the C 5 term contributes about 10%. The effects of images and the back surfaces of slabs can contribute about 4–10%. The vdW interaction energy power laws from the vdW-dZK model for graphene adsorbed on multilayer MoS 2 show slowly varying decay to the pairwise exponent –4 with increasing separation $\textit{D}$, very similar to those obtained from the random-phase approximation and renormalization group approaches by Ambrosetti et al. Both the PBE-vdW-dZK and SCAN-vdW-dZK give a greater increase in interlayer binding energy when the TMD substrate changes from monolayer to four-layer for the graphene/TMD adsorption systems. This is consistent with the relevant electron-energy-loss spectroscopy experimental results showing increased dielectric response from the substrate with increasing substrate layer number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Multiscale simulations of electron and ion dynamics in self-irradiated silicon

The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multiscale problem, and understanding of the early stages after impact of heavy, initially charged ions is particularly poor. At the same time, energy deposition during these early stages determines later formation of damage cascades. In this work, we address the multiscale character by combining real-time time-dependent density functional theory for electron dynamics with molecular dynamics simulations of damage cascades. Our first-principles simulations prove that core electrons affect electronic stopping and have an unexpected influence on the charge state of the projectile. We show that this effect is absent for light projectiles, but dominates the stopping physics for heavy projectiles. By parametrizing an inelastic energy loss friction term in the molecular dynamics simulations using our first-principles results, we also show a qualitative influence of electronic stopping physics on radiation-damage cascades.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Electron- and light-induced stimulated Raman spectroscopy for nanoscale molecular mapping

We propose and theoretically analyze a new vibrational spectroscopy, termed electron- and light-induced stimulated Raman (ELISR) scattering, that combines the high spatial resolution of elec-tron microscopy with the molecular sensitivity of surface-enhanced Raman spectroscopy. WithELISR, electron-beam excitation of plasmonic nanoparticles is utilized as a spectrally-broadband butspatially-confined Stokes beam in the presence of a diffraction-limited pump laser. To characterizethis technique, we develop a numerical model and conduct full-field electromagnetic simulations toinvestigate two distinct nanoparticle geometries, nanorods and nanospheres, coated with a Raman-active material. Our results show the significant (10 6 -10 7 ) stimulated Raman enhancement that isachieved with dual electron and optical excitation of thesenanoparticle geometries. Importantly,the spatial resolution of this vibrational spectroscopy for electron microscopy is solely determinedby the nanoparticle geometry and the plasmon mode volume. Our results highlight the promiseof ELISR for simultaneous high-resolution electron microscopy with sub-diffraction-limited Ramanspectroscopy, complementing advances in superresolutionmicroscopy, correlated light and electronmicroscopy, and vibrational electron energy loss spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin and charge excitations in the correlated multiband metal Ca 3 Ru 2 O 7

We use Ru $L_3$-edge resonant inelastic x-ray scattering to study the full range of excitations in Ca 3 Ru 2 O 7 from meV-scale magnetic dynamics through to the eV-scale interband transitions. This bilayer 4d-electron correlated metal expresses a rich phase diagram, displaying long-range magnetic order below 56 K followed by a concomitant structural, magnetic, and electronic transition at 48 K. In the low-temperature phase, we observe a magnetic excitation with a bandwidth of ~30 meV and a gap of ~8 meV at the zone center, in excellent agreement with inelastic neutron scattering data. The dispersion can be modeled using a Heisenberg Hamiltonian for a bilayer S = 1 system with single-ion anisotropy terms. At a higher energy loss, dd-type excitations show heavy damping in the presence of itinerant electrons, giving rise to a fluorescencelike signal appearing between the $t_{2g}$ and $e_g$ bands. At the same time, we observe a resonance originating from localized $t_{2g}$ excitations, in analogy to the structurally related Mott insulator Ca 2 RuO 4 . But whereas Ca 2 RuO 4 shows sharp separate spin-orbit excitations and Hund’s-rule driven spin-state transitions, here we identify only a single broad asymmetric feature. These results indicate that local intraionic interactions underlie the correlated physics in Ca 3 Ru 2 O 7 , even as the excitations become strongly mixed in the presence of itinerant electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Humble planar defects in SiGe nanopillars

We report a {001} planar defect found in SiGe nanopillars. The defect structure, determined by atomic-resolution electron microscopy, matches the Humble defect model proposed for diamond. We also investigate several possible variants of the Humble structure using first-principles calculations and find that the one lowest in energy is in agreement with the scanning transmission electron microscope images. The pillar composition has been analyzed with electron energy loss spectroscopy, which hints at how the defect is formed. Our results show that the structure and formation process of defects in nanostructured group IV semiconductors can be different from their bulk counterparts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Systematic study of nuclear effects in p + Al , p + Au , d + Au , and He 3 + Au collisions at s N N = 200 GeV using π 0 production

The PHENIX Collaboration presents a systematic study of inclusive π 0 production from p + p , p + Al , p + Au , d + Au , and He 3 + Au collisions at s N N = 200 GeV . Measurements were performed with different centrality selections as well as the total inelastic, 0–100%, selection for all collision systems. For 0–100% collisions, the nuclear-modification factors, R x A , are consistent with unity for p T above 8 GeV / c , but exhibit an enhancement in peripheral collisions and a suppression in central collisions. The enhancement and suppression characteristics are similar for all systems for the same centrality class. It is shown that for high- p T - π 0 production, the nucleons in the d and He 3 interact mostly independently with the Au nucleus and that the counterintuitive centrality dependence is likely due to a physical correlation between multiplicity and the presence of a hard scattering process. These observations disfavor models where parton energy loss has a significant contribution to nuclear modifications in small systems. Nuclear modifications at lower p T resemble the Cronin effect—an increase followed by a peak in central or inelastic collisions and a plateau in peripheral collisions. The peak height has a characteristic ordering by system size as p + Au > d + Au > He 3 + Au > p + Al . For collisions with Au ions, current calculations based on initial-state cold nuclear matter effects result in the opposite order, suggesting the presence of other contributions to nuclear modifications, in particular at lower p T .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measurement of φ-meson production in Cu + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV and U + U collisions at $\sqrt{s_{NN}}$ = 193 GeV

The PHENIX experiment reports systematic measurements at the Relativistic Heavy Ion Collider of φ-meson production in asymmetric Cu + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV and in U + U collisions at $\sqrt{s_{NN}}$ = 193 GeV. Measurements were performed via the φ → K + K – decay channel at midrapidity |η| < 0.35. Features of φ- meson production measured in Cu + Cu, Cu + Au, Au + Au, and U + U collisions were found to not depend on the collision geometry, which was expected because the yields are averaged over the azimuthal angle and follow the expected scaling with nuclear-overlap size. The elliptic flow of the φ meson in Cu + Au, Au + Au, and U + U collisions scales with second-order-participant eccentricity and the length scale of the nuclear-overlap region (estimated with the number of participating nucleons). At moderate $p_T$ , φ-meson production measured in Cu + Au and U + U collisions is consistent with coalescence-model predictions, whereas at high $p_T$ the production is in agreement with expectations for in-medium energy loss of parent partons prior to their fragmentation. Finally, the elliptic flow for φ mesons measured in Cu + Au and U + U collisions is well described by a (2+1)-dimensional viscous-hydrodynamic model with specific-shear viscosity η/s = 1/4π.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Multiscale evolution of charmed particles in a nuclear medium

Parton energy-momentum exchange with the quark gluon plasma (QGP) is a multiscale problem. In this work, we calculate the interaction of charm quarks with the QGP within the higher twist formalism at high virtuality and high energy using the Modular All Twist Transverse-scattering Elastic-drag and Radiation (MATTER) model, while the low-virtuality and high-energy portion is treated via a linearized Boltzmann transport formalism. Coherence effect that reduces the medium-induced emission rate in the MATTER model is also taken into account through a virtuality-dependent qˆ, leaving the simultaneous dependence of qˆ on heavy quark mass and virtuality for future studies. The interplay between these two formalisms is studied phenomenologically and used to produce a first description of the D-meson and charged hadron nuclear modification factor R AA across multiple centralities. As a result, all calculations were carried out utilizing the Jet Energy-loss Tomography with a Statistically and Computationally Advanced Program Envelope framework.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measurements of the suppression and correlations of dijets in Xe+Xe collisions at $\sqrt{s{NN}}$ = 5.44 TeV

Measurements of the suppression and correlations of dijets is performed using 3 µb –1 of Xe+Xe data at $\sqrt{s{NN}}$ = 5.44 TeV collected with the ATLAS detector at the CERN Large Hadron Collider. Dijets with jets reconstructed using the R = 0.4 anti- k t algorithm are measured differentially in jet p T over the range of 32 to 398 GeV and the centrality of the collisions. Significant dijet momentum imbalance is found in the most central Xe+Xe collisions, which decreases in more peripheral collisions. Results from the measurement of per-pair normalized and absolutely normalized dijet p T balance are compared with previous Pb + Pb measurements at $\sqrt{s{NN}}$ = 5.02 TeV. The differences between the dijet suppression in Xe+Xe and Pb + Pb are further quantified by the ratio of pair nuclear-modification factors. The results are found to be consistent with those measured in Pb + Pb data when compared in classes of the same event activity and when taking into account the difference between the center-of-mass energies of the initial parton scattering process in Xe+Xe and Pb + Pb collisions. These results should provide input for a better understanding of the role of energy density, system size, path length, and fluctuations in the parton energy loss.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of electrons from beauty-hadron decays in $pp$ and Pb-Pb collisions at $\sqrt{s_{NN}}$ = $5.02$ TeV

The production of electrons from beauty-hadron decays was measured at midrapidity in proton-proton ($pp$) and central Pb-Pb collisions at center-of-mass energy per nucleon-nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV, using the ALICE detector at the LHC. The cross section measured in p p collisions in the transverse momentum interval $2$ < $p_T$ < $26$ $\mathrm{GeV}$ / $c$ was compared with models based on perturbative quantum chromodynamics calculations. The yield in the 10% most central Pb-Pb collisions, measured in the interval $2$ < $p_T$ < $26$ $\mathrm{GeV}$ / $c$, was used to compute the nuclear modification factor $R_{AA}$, extrapolating the $pp$ reference cross section to $p_T$ larger than 8 $\mathrm{GeV}$ / $c$. The measured $R_{AA}$ shows significant suppression of the yield of electrons from beauty-hadron decays at high $p_T$ and does not show a significant dependence above 8 $\mathrm{GeV}$ / $c$ within uncertainties. The results are described by several theoretical models based on different implementations of the interaction of heavy quarks with a quark-gluon plasma, which predict a smaller energy loss for beauty quarks compared to light and charm quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

K ∗ (892) ± resonance production in Pb−Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

The production of K *⁢(892) ± meson resonance is measured at midrapidity (| y |<0.5) in Pb-Pb collisions at $\sqrt{^sNN}$ = 5.02 TeV using the ALICE detector at the CERN Large Hadron Collider. The resonance is reconstructed via its hadronic decay channel K *⁢(892) ± → K $^0_S$⁢π ± . The transverse momentum distributions are obtained for various centrality intervals in the p T range of 0.4-16 GeV/ c . Measurements of integrated yields, mean transverse momenta, and particle yield ratios are reported and found to be consistent with previous ALICE measurements for K *⁢(892) 0 within uncertainties. The p T -integrated yield ratio 2 K *⁢(892) ± ⁢/(⁢ K + + K - ) in central Pb-Pb collisions shows a significant suppression at a level of 9.3σ⁢ relative to pp collisions. Thermal model calculations result in an overprediction of the particle yield ratio. Although both hadron resonance gas in partial chemical equilibrium (HRG-PCE) and MUSIC + SMASH simulations consider the hadronic phase, only HRG-PCE accurately represents the measurements, whereas MUSIC + SMASH simulations tend to overpredict the particle yield ratio. These observations, along with the kinetic freeze-out temperatures extracted from the yields measured for light-flavored hadrons using the HRG-PCE model, indicate a finite hadronic phase lifetime, which decreases with increasing collision centrality percentile. The p T-differential yield ratios 2 K *⁢(892) ±⁢ /(⁢ K + + K - ) and 2 K *⁢(892) ± ⁢/(⁢π + +π - ) are presented and compared with measurements in pp collisions at $\sqrt{s}$ = 5.02 TeV. Both particle ratios are found to be suppressed by up to a factor of five at p T <2.0 GeV/ c in central Pb-Pb collisions and are qualitatively consistent with expectations for rescattering effects in the hadronic phase. The nuclear modification factor ( R AA ) shows a smooth evolution with centrality and is found to be below unity at p T >8 GeV/ c , consistent with measurements for other light-flavored hadrons. The smallest values are observed in most central collisions, indicating larger energy loss of partons traversing the dense medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Jet-hadron correlations with respect to the event plane in $\sqrt{s_{NN}}$ = 200 GeV Au + Au collisions in STAR

Angular distributions of charged particles relative to jet axes are studied in $\sqrt{s_{NN}}$ = 200 GeV Au+Au collisions as a function of the jet orientation with respect to the event plane. This differential study tests the expected path-length dependence of energy loss experienced by a hard-scattered parton as it traverses the hot and dense medium formed in heavy-ion collisions. A second-order event plane is used in the analysis as an experimental estimate of the reaction plane formed by the collision impact parameter and the beam direction. Charged-particle jets with 15 < 𝑝 T,jet < 20 and 20 < 𝑝 T,jet < 40 ⁢GeV/𝑐 were reconstructed with the anti-𝑘 T algorithm with radius parameter setting of 𝑅 = 0.4 in the 20–50% centrality bin to maximize the initial-state eccentricity of the interaction region. The reaction plane fit method is implemented to remove the flow-modulated background with better precision than prior methods. Yields and widths of jet-associated charged-hadron distributions are extracted in three angular bins between the jet axis and the event plane. The event-plane (EP) dependence is further quantified by ratios of the associated yields in different EP bins. No dependence on orientation of the jet axis with respect to the event plane is seen within the uncertainties in the kinematic regime studied. This finding is consistent with a similar experimental observation by ALICE in $\sqrt{s_{NN}}$ = 2.76 TeV Pb-Pb collision data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗