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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Energetic particle transport and loss induced by helically-trapped energetic-ion-driven resistive interchange modes in the Large Helical Device

Here, energetic-ion confinement and loss due to energetic-ion driven magnetohydrodynamic modes are studied using comprehensive neutron diagnostics and orbit-following numerical simulations for the Large Helical Device (LHD). The neutron flux monitor is employed in order to obtain global confinement of energetic ions and two installed vertical neutron cameras (VNCs) viewing different poloidal cross-sections are utilized in order to measure the radial profile of energetic ions. A strong helically-trapped energetic-ion-driven resistive interchange mode (EIC) excited in relatively low-density plasma terminated high-temperature state in LHD. Changes in the neutron emission profile due to the EIC excitation are clearly visualized by the VNCs. The reduction in the neutron signal for the helical ripple valley increases with EIC amplitude, which reaches approximately 50%. In addition to the EIC experiment, orbit-following simulations using the DELTA5D code with EIC fluctuations were performed to assess the energetic-ion transport and loss. Two-dimensional temporal evolution results show that the neutron emissivity at the helical ripple decreases significantly due to the EIC. The rapid reduction in neutron emissivity shows that the helically-trapped beam ions immediately escape from the plasma. The reduction in the VNC signals for the helical ripple valley and the total neutron emission rate increase with increasing EIC amplitude, as observed in the experiment. Calculated line-integrated neutron emission results show that the profile measured by VNC1 has one peak, whereas the profile measured by VNC2 has two peaks, as observed in the experiment. Although the neutron emission profile for VNC2 has a relatively wide peak compared with the experimental results, the significant decrease in neutron signal corresponding to the helical ripple valley was successfully reproduced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Strong Dark Matter Self-interactions Diversify Halo Populations within and surrounding the Milky Way

Abstract We perform a high-resolution cosmological zoom-in simulation of a Milky Way (MW)–like system, which includes a realistic Large Magellanic Cloud analog, using a large differential elastic dark matter self-interaction cross section that reaches ≈100 cm 2 g −1 at relative velocities of ≈10 km s −1 , motivated by the diverse and orbitally dependent central densities of dwarf galaxies within and surrounding the MW. We explore the effects of dark matter self-interactions on satellite, splashback, and isolated halos through their abundance, central densities, maximum circular velocities, orbital parameters, and correlations between these variables. We use an effective constant cross section model to analytically predict the stages of our simulated halos’ gravothermal evolution, demonstrating that deviations from the collisionless R max – V max relation can be used to select deeply core-collapsed halos, where V max is a halo’s maximum circular velocity, and R max is the radius at which it occurs. We predict that a sizable fraction (≈20%) of subhalos with masses down to ≈10 8 M ⊙ is deeply core collapsed in our SIDM model. Core-collapsed systems form ≈10% of the isolated halo population down to the same mass; these isolated, core-collapsed halos would host faint dwarf field galaxies with extremely steep central density profiles. Finally, most halos with masses above ≈10 9 M ⊙ are core-forming in our simulation. Our study thus demonstrates how self-interactions diversify halo populations in an environmentally dependent fashion within and surrounding MW-mass hosts, providing a compelling avenue to address the diverse dark matter distributions of observed dwarf galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A measurement of the equation of state of carbon envelopes of white dwarfs

White dwarfs represent the final state of evolution for most stars. Certain classes of white dwarfs pulsate, leading to observable brightness variations, and analysis of these variations with theoretical stellar models probes their internal structure. Modelling of these pulsating stars provides stringent tests of white dwarf models and a detailed picture of the outcome of the late stages of stellar evolution. However, the high-energy-density states that exist in white dwarfs are extremely difficult to reach and to measure in the laboratory, so theoretical predictions are largely untested at these conditions. In this paper we report measurements of the relationship between pressure and density along the principal shock Hugoniot (equations describing the state of the sample material before and after the passage of the shock derived from conservation laws) of hydrocarbon to within five per cent. The observed maximum compressibility is consistent with theoretical models that include detailed electronic structure. This is relevant for the equation of state of matter at pressures ranging from 100 million to 450 million atmospheres, where the understanding of white dwarf physics is sensitive to the equation of state and where models differ considerably. The measurements test these equation-of-state relations that are used in the modelling of white dwarfs and inertial confinement fusion experiments, and we predict an increase in compressibility due to ionization of the inner-core orbitals of carbon. We also find that a detailed treatment of the electronic structure and the electron degeneracy pressure is required to capture the measured shape of the pressure–density evolution for hydrocarbon before peak compression. Our results illuminate the equation of state of the white dwarf envelope (the region surrounding the stellar core that contains partially ionized and partially degenerate non-ideal plasmas), which is a weak link in the constitutive physics informing the structure and evolution of white dwarf stars.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Tidal disruption of solitons in self-interacting ultralight axion dark matter

We report ultralight axions (ULAs) are promising dark matter candidates that can have a distinct impact on the formation and evolution of structure on nonlinear scales relative to the cold, collisionless dark matter (CDM) paradigm. However, most studies of structure formation in ULA models do not include the effects of self-interactions, which are expected to arise generically. Here, we study how the tidal evolution of solitons is affected by ULA self-interaction strength and sign. Specifically, using the pseudospectral solver UltraDark.jl, we simulate the tidal disruption of self-interacting solitonic cores as they orbit a 10 11 M ⊙ Navarro-Frenk-White CDM host halo potential for a range of orbital parameters, assuming a fiducial ULA particle mass of 10 -22 eV . We find that repulsive (attractive) self-interactions significantly accelerate (decelerate) soliton tidal disruption. We also identify a degeneracy between the self-interaction strength and soliton mass that determines the efficiency of tidal disruption, such that disruption timescales are affected at the ~ 50 % level for variations in the dimensionless ULA self-coupling from λ = -10 -92 to λ = 10 -92 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Evidence for the Late Arrival of Hot Jupiters in Systems with High Host-star Obliquities

It has been shown that hot Jupiters systems with massive, hot stellar primaries exhibit a wide range of stellar obliquities. On the other hand, hot Jupiter systems with low-mass, cool primaries often have stellar obliquities close to zero. Efficient tidal interactions between hot Jupiters and the convective envelopes present in lower-mass main-sequence stars have been a popular explanation for these observations. If this explanation is accurate, then aligned systems should be older than misaligned systems. Likewise, the convective envelope mass of a hot Jupiter's host star should be an effective predictor of its obliquity. We derive homogeneous stellar parameters—including convective envelope masses—for hot Jupiter host stars with high-quality sky-projected obliquity inferences. Using a thin-disk stellar population's Galactic velocity dispersion as a relative age proxy, we find that hot Jupiter host stars with larger-than-median obliquities are older than hot Jupiter host stars with smaller-than-median obliquities. The relative age difference between the two populations is larger for hot Jupiter host stars with smaller-than-median fractional convective envelope masses and is significant at the 3.6σ level. We identify stellar mass, not convective envelope mass, as the best predictor of stellar obliquity in hot Jupiter systems. The best explanation for these observations is that many hot Jupiters in misaligned systems arrived in the close proximity of their host stars long after their parent protoplanetary disks dissipated. The dependence of observed age offset on convective envelope mass suggests that tidal realignment contributes to the population of aligned hot Jupiters orbiting stars with convective envelopes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Giant Planet Scatterings and Collisions: Hydrodynamics, Merger-Ejection Branching Ratio, and Properties of the Remnants

Planetary systems with sufficiently small orbital spacings can experience planetary mergers and ejections. The branching ratio of mergers vs ejections depends sensitively on the treatment of planetary close encounters. Previous works have adopted a simple “sticky-sphere” prescription, whose validity is questionable. We apply both smoothed particle hydrodynamics and N-body integrations to investigate the fluid effects in close encounters between gas giants and the long-term evolution of closely-packed planetary systems. Focusing on parabolic encounters between Jupiter-like planets with MJ and 2MJ, we find that quick mergers occur when the impact parameter rp (the pericenter separation between the planets) is less than 2RJ, and the merger conserved at least 97% of the initial mass. Strong tidal effects can affect the “binary-planet” orbit when rp is between 2RJ and 4RJ. We quantify these effects using a set of fitting formulae that can be implemented in N-body codes. We run a suite of N-body simulations with and without the formulae for systems of two giant planets initially in unstable, nearly circular and nearly coplanar orbits. The fluid (tidal) effects significantly increase the branching ratio of planetary mergers relative to ejections by doubling the effective collision radius. While the fluid effects do not change the distributions of semi-major axis and eccentricity of each type of remnant planets (mergers vs surviving planets in ejections), the overall orbital properties of planet scattering remnants are strongly affected due to the branching ratio change. We also find that the merger products have broad distributions of spin magnitudes and obliquities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Solar Energetic Particle Acceleration at a Spherical Shock with the Shock Normal Angle $θ$ $B_n$ Evolving in Space and Time

We present a 2D kinematic model to study the acceleration of solar energetic particles (SEPs) at a shock driven by a coronal mass ejection. The shock is assumed to be spherical about an origin that is offset from the center of the Sun. This leads to a spatial and temporal evolution of the angle between the magnetic field and the shock-normal direction (θ Bn ) as it propagates through the Parker spiral magnetic field from the lower corona to 1 au. We find that the high-energy SEP intensity varies significantly along the shock front due to the evolution of θ Bn . Generally, the west flank of the shock preferentially accelerates particles to high energies compared to the east flank and shock nose. This can be understood in terms of the rate of acceleration, which is higher at the west flank. Double power-law energy spectra are reproduced in our model as a consequence of the local acceleration and transport effects. These results will help us to better understand the evolution of SEP acceleration and provide new insights into large SEP events observed by multiple spacecraft, especially those close to the Sun, such as Parker Solar Probe and Solar Orbiter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

3d-Orbital Occupancy Regulated Ir-Co Atomic Pair Toward Superior Bifunctional Oxygen Electrocatalysis

Atomically dispersed metal catalysts are hailed as the most promising catalyst category for oxygen electrocatalysis. However, the challenges in regulating electronic configuration and unveiling the mechanism on the atomic scale are hindering their practical implementation. Herein, we modulate the Co d-orbital electron configuration by constructing the Ir–Co atomic pair toward boosted bifunctional activity. The as-developed dual-atom IrCo–N–C catalyst displays unprecedented activity with a half-wave potential of 0.911 V for oxygen reduction reaction and only 330 mV overpotential at 10 mA cm –2 for oxygen evolution reaction, outperforming the single-atom counterparts as well as the commercial Pt/C and Ir/C benchmarks. The impressive bifunctionality is also verified in a Zn–air battery prototype with an ultra-high cyclability over 450 cycles. Furthermore, theoretical calculations are performed to shed light on the synergetic effects of the atomic pair site, where the incorporation of Ir atom alters the d-orbital energy level of Co and thus induces the re-arrangement of d-electron toward intensified spin polarization. As a result, the lower occupancy of d z 2 orbital facilitates the electron acceptation from oxygen to form a stronger Co–O σ bond, thereby propelling faster reaction kinetics.

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

Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors

In the search for stable and active catalysts, density functional theory and machine learning (ML) based models can accelerate the screening of materials. While stability is conveniently addressed on the bulk level of computation, the modelling of catalytic activity requires expensive surface simulations. Here, in this work, we develop models for the surface adsorption energy of O and OH intermediates across a consistent and extensive dataset of pure transition metal oxide surfaces. We show that adsorption energies across metal oxidation states of +2 to +6 are well captured from the metal-oxygen bond strength extracted from the bulk level calculation. Specifically, we calculate the integrated crystal orbital Hamiltonian population (ICOHP) of the metal-oxygen bond in the bulk oxide and employ a simple normalization scheme to obtain a strong correlation with adsorption energetics. By combining our ICOHP descriptor with non DFT features in a Gaussian Process regression (GPR) model, we achieve high model accuracy with mean absolute errors of 0.166 and 0.219 eV for OH and O adsorption, respectively. By targeting the O-OH adsorption energy difference with our GPR model, we predict the the oxygen evolution reaction (OER) activity from bulk descriptors only. Furthermore, we utilize the strong correlation between the COHP and metal oxygen bond lengths to rapidly predict adsorption energetics and catalytic activity from the optimized bulk geometry. Our approach can enable an efficient search for active catalysts by eliminating the need for surface calculations in the initial screening phase.

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

Connecting galaxy evolution in clusters with their radial profiles and phase space distribution: results from the IllustrisTNG hydrodynamical simulations

ABSTRACT We study the population of galaxies around galaxy clusters in the hydrodynamic simulation suite IllustrisTNG 300-1 to study the signatures of their evolutionary history on observable properties. We measure the radial number density profile, phase space distribution, and splashback radius for galaxies of different masses and colours over the redshift range z = 0−1. The three primary physical effects which shape the galaxy distribution within clusters are the galaxy quenching, angular momentum distribution, and dynamical friction. We find three distinct populations of galaxies by applying a Gaussian mixture model to their distribution in colour and mass. They have distinct evolutionary histories and leave distinct signatures on their distribution around cluster haloes. We find that low-mass red galaxies show the most concentrated distribution in clusters and the largest splashback radius, while high-mass red galaxies show a less concentrated distribution and a smaller splashback radius. Blue galaxies, which mostly quench into the low-mass red population, have the shallowest distribution within the clusters, with those on radial orbits quenched rapidly before reaching pericentre. Comparison with the distribution of galaxies from the Dark Energy Survey survey around Sunyaev–Zeldovich clusters from the Atacama Cosmology Telescope and South Pole Telescope surveys shows evidence for differences in galaxy evolution between simulations and data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Host Star Metallicity of Directly Imaged Wide-orbit Planets: Implications for Planet Formation

Directly imaged planets (DIPs) are self-luminous companions of pre-main-sequence and young main-sequence stars. They reside in wider orbits (∼tens to thousands of astronomical units) and generally are more massive compared to the close-in (≲10 au) planets. Determining the host star properties of these outstretched planetary systems is important to understand and discern various planet formation and evolution scenarios. We present the stellar parameters and metallicity ([Fe/H]) for a subsample of 18 stars known to host planets discovered by the direct imaging technique. We retrieved the high-resolution spectra for these stars from public archives and used the synthetic spectral fitting technique and Bayesian analysis to determine the stellar properties in a uniform and consistent way. For eight sources, the metallicities are reported for the first time, while the results are consistent with the previous estimates for the other sources. Our analysis shows that metallicities of stars hosting DIPs are close to solar with a mean [Fe/H] = −0.04 ± 0.27 dex. The large scatter in metallicity suggests that a metal-rich environment may not be necessary to form massive planets at large orbital distances. We also find that the planet mass–host star metallicity relation for the directly imaged massive planets in wide orbits is very similar to that found for the well-studied population of short-period (≲1 yr) super-Jupiters and brown dwarfs around main-sequence stars.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fermi level tuning and double-dome superconductivity in the kagome metal CsV 3 Sb 5 – x Sn x

The recently reported AV 3 Sb 5 (A = K , Rb, Cs) family of kagome metals are candidates for unconventional superconductivity and chiral charge density wave (CDW) order; both potentially arise from nested saddle points in their band structures close to the Fermi energy. Here, we use chemical substitution to introduce holes into CsV 3 Sb 5 and unveil an unconventional coupling of the CDW and superconducting states. Specifically, we generate a phase diagram for CsV 3 Sb 5 – x Sn x that illustrates the impact of hole doping the system and lifting the nearest van Hove singularity toward and above E F . Superconductivity exhibits a nonmonotonic evolution with the introduction of holes, resulting in two “domes” peaked at 3.6 and 4.1 K and the rapid suppression of three-dimensional CDW order. Further, the evolution of CDW and superconducting order is compared with the evolution of the electronic band structure of CsV 3 Sb 5 – x Sn x , where the complete suppression of superconductivity seemingly coincides with an electronlike band comprised of Sb p z orbitals pushed above E F .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Modelling of nanometer scale dust grains in tokamak

Dust poses a serious threat to tokamak operation and safety. It is important to study the behaviour of dust grains under tokamak's discharge conditions, which depends heavily on their size and charge. Existing simulations mainly address issues on dust grains with radii larger than 1 μm, in which case, the drift effect due to electromagnetic fields can be safely ignored. For nanometer scale dust grains, however, the drift effect becomes significant and a new model based on guiding-centre system needs to be established. In this work, the NDS has been done under BOUT++ framework. The simulation contains two parts. Part one, NDS evaluates the charging and ablation processes of the dust grains. In the second part, the guiding-centre orbits of dust particles are tracked in tokamak plasmas, whose parameters are obtained from BOUT++, a highly desirable C++ code package for performing parallel plasma fluid simulations with an arbitrary number of equations in 3D curvilinear coordinates. The orbit of nanodust dynamics is described by guiding centre equations for simplicity, and these equations are numerically solved by conventional fourth-order Runge Kutta method. Simulations provide results such as trajectories and evolutions of dust particles with different sizes and velocities for different tokamak geometries. Results show tungsten dust grains with a radius of a few nanometers launched from outer midplane will oscillate before totally ablated in C-Mod. The oscillation in this case is driven by the ion drag force. Larger Nanodust with a radius of 100 nm, on the contrary, cannot be completely constrained by the electromagnetic field. In conclusion, the high plasma temperature and density in the seperatrix region causes severe dust ablation, resulting in total ablation within several ms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Femtosecond Core-Level Spectroscopy Reveals Involvement of Triplet States in the Gas-Phase Photodissociation of Fe(CO) 5

Excitation of iron pentacarbonyl [Fe(CO) 5 ], a prototypical photocatalyst, at 266 nm causes the sequential loss of two CO ligands in the gas phase, creating catalytically active, unsaturated iron carbonyls. Despite numerous studies, major aspects of its ultrafast photochemistry remain unresolved because the early excited-state dynamics have so far eluded spectroscopic observation. This has led to the long-held assumption that ultrafast dissociation of gas-phase Fe(CO) 5 proceeds exclusively on the singlet manifold. Herein, we present a combined experimental–theoretical study employing ultrafast extreme ultraviolet transient absorption spectroscopy near the Fe M 2,3 -edge, which features spectral evolution on 100 fs and 3 ps time scales, alongside high-level electronic structure theory, which enables characterization of the molecular geometries and electronic states involved in the ultrafast photodissociation of Fe(CO) 5 . We assign the 100 fs evolution to spectroscopic signatures associated with intertwined structural and electronic dynamics on the singlet metal-centered states during the first CO loss and the 3 ps evolution to the competing dissociation of Fe(CO) 4 along the lowest singlet and triplet surfaces to form Fe(CO) 3 . Calculations of transient spectra in both singlet and triplet states as well as spin–orbit coupling constants along key structural pathways provide evidence for intersystem crossing to the triplet ground state of Fe(CO) 4 . Finally, our work presents the first spectroscopic detection of transient excited states during ultrafast photodissociation of gas-phase Fe(CO) 5 and challenges the long-standing assumption that triplet states do not play a role in the ultrafast dynamics.

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

Investigation of the Impact of Flow on MHD Perturbations with the NIMROD Code (Final Report)

This work will enable improved understanding of tokamak edge flows and impurity-species dynamics and their impact on MHD stability as it relates to ELMs, RMPs and QH-mode by leveraging computational developments of the NIMROD code. Experimentally, it is established that the tokamak flows and impurities species can have a substantial effect on MHD stability. This is particularly true for the edge plasma where, for example, large flow shear is correlated with the occurrence of the Quiescent H-mode (QH- mode) state as opposed to operation with edge localized modes (ELMs). Understanding plasma flows is challenging because of the many physical effects that come into play: particle orbits loss, neutrals dynamics, and interaction between multiple ion species with decoupled motion. We will develop a model that incorporates multiple ion species into the MHD framework that includes self-consistent magnetic-field evolution. With this model we will understand how the presence of impurities impacts the tokamak edge-pedestal flows. Finally, we will quantify the impact of the new multiple species modeling on 3D QH-mode simulations. This work will have broader impacts on all MHD studies when multiple species are present (as is the case in modern tokamaks), as well as contributing to the edge and transport communities who also are interested in the studies of multiple-ion-species flows in the edge pedestal region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A warm super-Neptune around the G-dwarf star TOI-1710 revealed with TESS, SOPHIE, and HARPS-N

We report the discovery and characterization of the transiting extrasolar planet TOI-1710 b. It was first identified as a promising candidate by the Transiting Exoplanet Survey Satellite. Its planetary nature was then established with SOPHIE and HARPS-N spectroscopic observations via the radial-velocity method. The stellar parameters for the host star are derived from the spectra and a joint Markov chain Monte-Carlo adjustment of the spectral energy distribution and evolutionary tracks of TOI-1710. A joint MCMC analysis of the TESS light curve and the radial-velocity evolution allows us to determine the planetary system properties. From our analysis, TOI 1710 b is found to be a massive warm super-Neptune (M p = 28.3 ± 4.7 M ⊕ and R p = 5.34 ± 0.11 R ⊕ ) orbiting a G5V dwarf star (T eff = 5665 ± 55 K) on a nearly circular 24.3-day orbit (e = 0.16 ± 0.08). The orbital period of this planet is close to the estimated rotation period of its host star P rot = 22.5 ± 2.0 days and it has a low Keplerian semi-amplitude K = 6.4 ± 1.0 m s -1 ; we thus performed additional analyses to show the robustness of the retrieved planetary parameters. With a low bulk density of 1.03 ± 0.23 g cm -3 and orbiting a bright host star (J = 8.3, V = 9.6), TOI-1710 b is one of the best targets in this mass-radius range (near the Neptunian desert) for atmospheric characterization via transmission spectroscopy, a key measurement in constraining planet formation and evolutionary models of sub-Jovian planets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Accretion disks, quasars and cosmology: meandering towards understanding

Abstract As Setti and Woltjer noted back in 1973, one can use quasars to construct the Hubble diagram; however, the actual application of the idea was not that straightforward. It took years to implement the proposition successfully. Most ways to employ quasars for cosmology now require an advanced understanding of their structure, step by step. We briefly review this progress, with unavoidable personal biases, and concentrate on bright unobscured sources. We will mention the problem of the gas flow character close to the innermost stable circular orbit near the black hole, as discussed five decades ago. This problem later led to the development of the slim disk scenario and is recently revived in the context of Magnetically Arrested Disks (MAD) and Standard and Normal Evolution (SANE) models. We also discuss the hot or warm corona issue, which is still under debate and complicates the analysis of X-ray reflection. We present the scenario of the formation of the low ionization part of the Broad Line Region as a failed wind powered by radiation pressure acting on dust (Failed Radiatively Driven Dusty Outflow – FRADO). Next, we examine the cosmological constraints currently achievable with quasars, primarily concentrating on light echo methods (continuum time delays and spectral-line time delays to the continuum) that are (or should be) incorporating the progress mentioned above. Finally, we briefly discuss prospects in this lively subject area.

Astronomy & Astrophysics↗