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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Apparent Disk-mass Reduction and Planetisimal Formation in GravitationallyUnstable Disks in Class 0/I Young Stellar Objects

We investigate the dust structure of gravitationally unstable disks undergoing mass accretion from the envelope, envisioning its application to Class 0/I young stellar objects (YSOs). We find that the dust disk quickly settles into a steady state and that, compared to a disk with interstellar medium (ISM) dust-to-gas mass ratio and micron-sized dust, the dust mass in the steady state decreases by a factor of 1/2 to 1/3, and the dust thermal emission decreases by a factor of 1/3 to 1/5. The latter decrease is caused by dust depletion and opacity decrease owing to dust growth. Our results suggest that the masses of gravitationally unstable disks in Class 0/I YSOs are underestimated by a factor of 1/3 to 1/5 when calculated from the dust thermal emission assuming an ISM dust-to-gas mass ratio and micron-sized dust opacity, and that a larger fraction of disks in Class 0/I YSOs is gravitationally unstable than was previously believed. We also investigate the orbital radius r{sub P} within which planetesimals form via coagulation of porous dust aggregates and show that r{sub P} becomes ∼20 au for a gravitationally unstable disk around a solar mass star. Because r{sub P} increases as the gas surface density increases and a gravitationally unstable disk has maximum gas surface density, r{sub P}∼20 au is the theoretical maximum radius for planetesimal formation. We suggest that planetesimal formation in the Class 0/I phase is preferable to that in the Class II phase because a large amount of dust is supplied by envelope-to-disk accretion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

C ii RADIATIVE COOLING OF THE GALATIC DIFFUSE INTERSTELLAR MEDIUM: INSIGHT INTO THE STAR FORMATION IN DAMPED Ly α SYSTEMS

The far-infrared [C ii] 158 μ m fine structure transition is considered to be a dominant coolant in the interstellar medium (ISM). For this reason, under the assumption of a thermal steady state, it may be used to infer the heating rate and, in turn, the star formation rate (SFR) in local as well as in high redshift systems. In this work, radio and ultraviolet observations of the Galactic ISM are used to understand whether C ii is indeed a good tracer of the SFR. For a sample of high Galactic latitude sightlines, direct measurements of the temperature indicate the presence of C ii in both the cold and the warm phases of the diffuse interstellar gas. The cold gas fraction (∼10%–50% of the total neutral gas column density) is not negligible even at high Galactic latitude. It is shown that to correctly estimate the SFR, C ii cooling in both phases should hence be considered. The simple assumption, that the [C ii] line originates only from either the cold or the warm phase, significantly underpredicts or overpredicts the SFR, respectively. These results are particularly important in the context of Damped Ly α systems for which a similar method is often used to estimate the SFR. The derived SFRs in such cases may not be reliable if the temperature of the gas under consideration is not constrained independently.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Neutron Star Mergers and the Quark Matter Equation of State

As neutron stars merge they can approach very high nuclear density. Here, we summarized recent results for the evolution and gravitational wave emission from binary-neutron star mergers using a a variety of nuclear equations of state with and without a crossover transition to quark matter. We discuss how the late time gravitational wave emission from binary neutron star mergers may possibly reveal the existence of a crossover transition to quark matter.

Mathews, Grant J.↗
DOE OSTI2022

Electrochemical Sodiation Mechanism in Magnetite Nanoparticle-Based Anodes: Understanding of Nanoionics-Based Sodium Ion Storage Behavior of Fe 3 O 4

We report electrochemical ion storage behaviors of Fe 3 O 4 nanoparticles, as a representative transition metal oxide for an environmentally benign and low-cost anode for a sodium-ion battery, are thoroughly investigated through a combination of electrochemical analysis and diagnostics of Fe 3 O 4 electrode cells, X-ray-based and spectroscopic analysis of material structure evolution as functions of depth of discharge (DoD) and state of charge (SoC), and first principle modeling. The gravimetric capacity is found to be 50 mA h/g for bulk Fe 3 O 4 (50 nm average crystallite size) and 100 mA h/g--about a tenth of the theoretical prediction for complete conversion--for Fe 3 O 4 nanoparticles (8.7 nm average particle size), respectively. A fundamental and mechanistic study of material evolution as functions of DoD and SoC shows that Fe 3 O 4 does not allow electrochemical incorporation of Na + ions into the empty cation positions of the inverse spinel structure, leading to our assertion that electrochemical intercalation of Na + ions to conversion of the Fe 3 O 4 anode in sodium-ion batteries is nonviable. A density functional theory investigation points to the impracticality of the intercalation of Na + ions into Fe 3 O 4 and further validates our experimental findings. We propose several possible mechanisms corresponding to the observed low capacity, including formation of solid electrolyte interphases with unfavorable properties and adsorption of Na + ions onto surfaces of nanoparticles and/or at heterointerfaces in Fe 3 O 4 composite electrodes in a NaPF 6 -based electrolyte system.

25 ENERGY STORAGE↗
DOE OSTI2016

A VERSATILE FAMILY OF GALACTIC WIND MODELS

We present a versatile family of model galactic outflows including non-uniform mass and energy source distributions, a gravitational potential from an extended mass source, and radiative losses. The model easily produces steady-state wind solutions for a range of mass-loading factors, energy-loading factors, galaxy mass, and galaxy radius. We find that, with radiative losses included, highly mass-loaded winds must be driven at high central temperatures, whereas low mass-loaded winds can be driven at low temperatures just above the peak of the cooling curve, meaning radiative losses can drastically affect the wind solution even for low mass-loading factors. By including radiative losses, we are able to show that subsonic flows can be ignored as a possible mechanism for expelling mass and energy from a galaxy compared to the more efficient transonic solutions. Specifically, the transonic solutions with low mass loading and high energy loading are the most efficient. Our model also produces low-temperature, high-velocity winds that could explain the prevalence of low-temperature material in observed outflows. Finally, we show that our model, unlike the well-known Chevalier and Clegg model, can reproduce the observed linear relationship between wind X-ray luminosity and star formation rate (SFR) over a large range of SFR from 1–1000 M{sub ⊙} yr{sup −1} assuming the wind mass-loading factor is higher for low-mass, and hence, low-SFR galaxies. We also constrain the allowed mass-loading factors that can fit the observed X-ray luminosity versus SFR trend, further suggesting an inverse relationship between mass loading and SFR as explored in advanced numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach

In a previous study [F. A. Shakib and G. Hanna, J. Chem. Phys. 141, 044122 (2014)], we investigated a model proton-coupled electron transfer (PCET) reaction via the mixed quantum-classical Liouville (MQCL) approach and found that the trajectories spend the majority of their time on the mean of two coherently coupled adiabatic potential energy surfaces. This suggested a need for mean surface evolution to accurately simulate observables related to ultrafast PCET processes. In this study, we simulate the time-dependent populations of the three lowest adiabatic states in the ET-PT (i.e., electron transfer preceding proton transfer) version of the same PCET model via the MQCL approach and compare them to the exact quantum results and those obtained via the fewest switches surface hopping (FSSH) approach. We find that the MQCL population profiles are in good agreement with the exact quantum results and show a significant improvement over the FSSH results. All of the mean surfaces are shown to play a direct role in the dynamics of the state populations. Interestingly, our results indicate that the population transfer to the second-excited state can be mediated by dynamics on the mean of the ground and second-excited state surfaces, as part of a sequence of nonadiabatic transitions that bypasses the first-excited state surface altogether. This is made possible through nonadiabatic transitions between different mean surfaces, which is the manifestation of coherence transfer in MQCL dynamics. We also investigate the effect of the strength of the coupling between the proton/electron and the solvent coordinate on the state population dynamics. Drastic changes in the population dynamics are observed, which can be understood in terms of the changes in the potential energy surfaces and the nonadiabatic couplings. Finally, we investigate the state population dynamics in the PT-ET (i.e., proton transfer preceding electron transfer) and concerted versions of the model. The PT-ET results confirm the participation of all of the mean surfaces, albeit in different proportions compared to the ET-PT case, while the concerted results indicate that the mean of the ground- and first-excited state surfaces only plays a role, due to the large energy gaps between the ground- and second-excited state surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Insight into Strong QCD and the Emergence of Mass from N* Experiments

Studies of nucleon resonance (N*) electroexcitation amplitudes (?vpN* electrocouplings) within a broad range of virtual photon four-momentum squared Q2 offer unique information on many facets of the strong interaction in the regime of large QCD running coupling (sQCD regime) seen in the generation of different resonances. The results on the ?vpN* electrocouplings from exclusive meson electroproduction data measured with the CLAS detector at JLab and their impact on understanding of sQCD dynamics will be presented in this talk. These CLAS data have provided the first and only available results on the evolution of the ?vpN* electrocouplings with Q2 to 5 GeV2 for most N* states in the mass range up to 1.8 GeV. A successful description of the CLAS results on the Q2-evolution of the ?(1232)3/2+, N(1440)1/2+, and ?(1600)3/2+ electrocouplings has been achieved within the continuum Schwinger method (CSM) by employing the same momentum dependence of the dressed quark mass inferred from the QCD Lagrangian, which also reproduces the experimental results on the pion elastic electromagnetic form factor and parton distribution function, and the nucleon elastic form factor. This success has demonstrated the capability for gaining insight into the emergence of hadron mass (EHM) from the exploration of the Q2-evolution of the ?vpN* electrocouplings. These studies also allow us to establish either universality or environmental sensitivity of the dressed quark mass function and to explore qq-correlation amplitudes of different spin-parities and the mixing between configurations of different orbital angular momentum. Exploration of the resonance electroexcitation with the CLAS12 detector and in the future with a possible 22 GeV machine at JLab offer the only foreseen opportunity to extend information on the ?vpN* electrocouplings for Q2 from 5-30 GeV2. Analyses of these results will cover the full range of distances where the dominant part of hadron mass and N* structure emerge from QCD.

Mokeev, Victor↗
DOE OSTI2020

Role of matrix elements in the time-resolved photoemission signal

Time- and angle-resolved photoemission spectroscopy (TR-ARPES) provides access to the ultrafast evolution of electrons andmany-body interactions in solid-state systems. However, themomentum- and energy-resolved transient photoemission intensitymay not be unambiguously described by the intrinsic relaxation dynamics of photoexcited electrons alone.The interpretation of the time-dependent photoemission signal can be affected by the transient evolution of the electronic distribution, and both the one-electron removal spectral function aswell as the photoemissionmatrix elements. Here we investigate the topological insulator Bi 1.1 Sb 0.9 Te 2 S to demonstrate, bymeans of a detailed probe-polarization dependent study, the transient contribution ofmatrix elements toTR-ARPES.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2021

Effects of Spin-Orbit Resonances and Tidal Heating on the Inner Edge of the Habitable Zone

Much attention has been given to the climate dynamics and habitable boundaries of synchronously rotating planets around low mass stars. However, other rotational states are possible, including spin–orbit resonant configurations, particularly when higher eccentricity orbits can be maintained in a system. Additionally, the oscillating strain as a planet moves from periastron to apoastron results in friction and tidal heating, which can be an important energy source. Here, we simulate the climate of ocean-covered planets near the inner edge of the habitable zone around M to solar stars with the NASA GISS ROCKE-3D general circulation model, and leverage the planetary evolution software package, VPLanet, to calculate tidal heating rates for Earth-sized planets orbiting 2600 and 3000 K stars. This study is the first to use a 3D general circulation model that implements tidal heating to investigate habitability for multiple resonant states. We find that for reference experiments without tidal heating, the resonant state has little impact on the radial position of the inner edge because for a given stellar flux, higher-order states tend to be warmer than synchronous rotators, but for a given temperature, have drier upper atmospheres. However, when strong tidal heating is present, the rotational component implies a strong dependence of habitable conditions on the system evolution and rotational state. Since tidal and stellar heating both decrease rapidly with orbital distance, this results in a compact orbital width separating temperate and uninhabitable climates. We summarize these results and also compare ROCKE-3D to previously published simulations of the inner edge.

Spin-Orbit Resonances↗
DOE OSTI2017

Perfect quantum state engineering by the combination of the counterdiabatic driving and the reverse-engineering technique

We propose a method to design shortcuts to adiabaticity for implementing perfect quantum state engineering by the combination of the counterdiabatic driving and the reverse engineering technique. Based on the method, we can design simple schemes to realize the intended dynamics. For the sake of clearness, we apply this method to several examples including two-level, three-level and four-level system. We show that fast quantum state engineering can be realized by utilizing simply-designed auxiliary Hamiltonian. Furthermore, a suitable choice of the control parameters can eliminate the additional couplings in the introduced auxiliary Hamiltonian. Numerical simulation reveals that the constructed scheme is reliable and robust against various dissipation effects and the fluctuations of control parameters in current technology. - Highlights: • Fast and feasible quantum state engineering can be realized by using the method. • The method allows one to control accurately the evolution of the system. • The scheme is fast and robust against dissipation effects and parameter errors. • The scheme can be generalized to realize N-dimensional quantum state engineering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Molecular bond stabilization in the strong-field dissociation of O 2 +

We theoretically examine the rotational and vibrational dynamics of O 2 + molecular ions exposed to intense, short laser pulses for conditions realized in contemporary pump-probe experiments. We solve the time-dependent Schrödinger equation within the Born-Oppenheimer approximation for an initial distribution of randomly aligned molecular ions. For fixed peak intensities, our numerical results show that total, angle-integrated O 2 + → O( 3 P) + O + ( 4 S 0 ) dissociation yields do not monotonically increase with increasing infrared-probe pulse duration. We find this pulse-duration-dependent stabilization to be consistent with the transient trapping of nuclear probability density in a light-induced (bond-hardening) potential-energy surface and robust against rotational excitation. We analyze this stabilization effect and its underlying bond-hardening mechanism (i) in the time domain, by following the evolution of partial nuclear probability densities associated with the dipole-coupled O 2 + (a 4 Π u ) and O 2 + (f 4 Π g ) cationic states, and (ii) in the frequency domain, by examining rovibrational quantum-beat spectra for the evolution of the partial nuclear probability densities associated with these states. In this work, our analysis reveals the characteristic timescale for the bond-hardening mechanism in O 2 + and explains the onset of bond stabilization for sufficiently long pulse durations.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1988

Compact high order schemes for the Euler equations

An implicit approximate factorization (AF) algorithm is constructed which has the following characteistics. In 2-D: The scheme is unconditionally stable, has a 3 x 3 stencil and at steady state has a fourth order spatial accuracy. The temporal evolution is time accurate either to first or second order through choice of parameter. In 3-D: The scheme has almost the same properties as in 2-D except that it is now only conditionally stable, with the stability condition (the CFL number) being dependent on the cell aspect ratios, delta y/delta x and delta z/delta x. The stencil is still compact and fourth order accuracy at steady state is maintained. Numerical experiments on a 2-D shock-reflection problem show the expected improvement over lower order schemes, not only in accuracy (measured by the L sub 2 error) but also in the dispersion. It is also shown how the same technique is immediately extendable to Runge-Kutta type schemes resulting in improved stability in addition to the enhanced accuracy.

Abarbanel, Saul↗
NASA NTRS1988

Compact high-order schemes for the Euler equations

An implicit approximate factorization (AF) algorithm is constructed which has the following characteristics. In 2-D: the scheme is unconditionally stable, has a 3 x 3 stencil and at steady state has a fourth order spatial accuracy. The temporal evolution is time accurate either to first or second order through choice of parameter. In 3-D: the scheme has almost the same properties as in 2-D except that it is now only conditionally stable, with the stability condition (the CFL number) being dependent on the cell aspect ratios, delta y/delta x and delta z/delta x. The stencil is still compact and fourth order accuracy at steady state is maintained.

Abarbanel, Saul↗
NASA NTRS1995

Mars Global Surveyor Mission: Environmental Assessment

This environmental assessment addresses the proposed action to complete the integration and launch the Mars Global Surveyor (MGS) spacecraft from Cape Canaveral Air Station (CCAS), Florida, during the launch window in November 1996. Mars Global Surveyor is part of the Solar System Exploration Program to the inner planets designed to maintain a sufficient level of scientific investigation and accomplishment so that the United States retains a leading position in solar system exploration through the end of the century. The Program consists of a specific sequence of missions, based on technological readiness, launch opportunities, rapidity of data return, and a balance of scientific disciplines. The purpose of the MGS mission would be to deliver a spacecraft platform to a low-altitude polar orbit around Mars where it would collect global observations of basic geological, geophysical, and climatological processes of the planet. To satisfy this purpose, the MGS mission would support a scientific set of objectives. Detailed global maps of surface topography, the distribution of minerals, the planet's mass, size, and shape, the characterization of Mars gravitational and magnetic fields, and the monitoring of global weather, collected over the period of one Martian year (about two Earth years), would help answer some of the questions about the evolution of Mars. Such an investigation would help scientists better understand the current state of water on Mars, the evolution of the planet's atmosphere, and the factors that led to major changes in the Martian climate. It would also provide much needed information on the magnetic field of Mars. Data collected from this mission would provide insight into the evolution of both Earth and the solar system, as well as demonstrate technological approaches that could be applicable to future Mars missions.

Source record↗
DOE OSTI2021

Investigation of the ground-state spin inversion in the neutron-rich Cl 47 , 49 isotopes

A first γ -ray study of Cl 47 , 49 spectroscopy was performed at the Radioactive Isotope Beam Factory with Ar 50 projectiles at 217 MeV/nucleon, impinging on the liquid hydrogen target of the MINOS device. Prompt deexcitation γ rays were measured with the NaI(Tl) array DALI2 + . Through the one-proton knockout reaction Ar 50 ( p , 2 p ) , a spin assignment could be determined for the low-lying states of Cl 49 from the momentum distribution obtained with the SAMURAI spectrometer. A spin-parity J π = 3 / 2 + is deduced for the ground state of Cl 49 , similar to the recently studied N = 32 isotope K 51 . The evolution of the energy difference E ( 1 / 2 1 + ) - E ( 3 / 2 1 + ) is compared to state-of-the-art theoretical predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Microwave Imaging of Edge Conductivity in Graphene at Charge Neutrality and Quantum Hall States

Here, we report local conductivity imaging of edge states in monolayer graphene by millikelvin microwave impedance microscopy. At the charge-neutrality point, as the magnetic field increases, the local conductivity at the edge drops to zero more slowly than in the bulk. This behavior is consistent with the calculated spatial profile of the charge gap in the canted antiferromagnetic phase. For comparison, we also perform microwave imaging of integer quantum Hall states away from neutrality, which host dissipationless chiral edge channels. The evolution of the edge signal as a function of the bulk gap is fundamentally different between the Landau level filling factor 𝜈 = 0 and |𝜈| ≥ 1 integer quantum Hall states, which can be qualitatively explained by numerical simulations and theoretical analysis. Our results provide a comprehensive microscopic picture of the edge and bulk states as the Fermi level moves across the unique Landau-level spectrum of graphene.

Hall effect↗
DOE OSTI2022

Size Ranges of Magnetic Domain States in Tetrataenite

Paleomagnetic studies of meteorites provide unique constraints on the evolution of magnetic fields in the early solar system. These studies rely on the identification of magnetic minerals that can retain stable magnetizations over ≳4.5 billion years (Ga). The ferromagnetic mineral tetrataenite (γ''-Fe 0.5 Ni 0.5 ) is found in iron, stony-iron and chondrite meteorite groups. Nanoscale intergrowths of tetrataenite have been shown to carry records of paleomagnetic fields, although the effect of magnetostatic interactions on their magnetic remanence acquisition remains to be fully understood. Tetrataenite can also occur as isolated, non-interacting, nanoscale grains in many meteorite groups, although the paleomagnetic potential of these grains is particularly poorly understood. Here, we aim to improve our understanding of tetrataenite magnetization to refine our knowledge of existing paleomagnetic analyses and broaden the spectrum of meteorite groups that can be used for future paleomagnetic studies. We present the results of analytical calculations and micromagnetic modeling of isolated tetrataenite grains with various geometries. We find that tetrataenite forms a stable single domain state at grain lengths between 6 and ~160 nm dependent on its elongation. It also possesses a magnetization resistant to viscous remagnetization over the lifetime of the solar system at 293 K. At larger grain sizes, tetrataenite's lowest energy state is a lamellar two-domain state, stable at Ga-scale timescales. Unlike many other magnetic minerals, tetrataenite does not form a single-vortex domain state due to its large uniaxial anisotropy. Our results show that single domain and two-domain tetrataenite grains carry an extremely stable magnetization and therefore are promising for paleomagnetic studies.

58 GEOSCIENCES↗
DOE OSTI2022

The Importance of Nonequilibrium to Equilibrium Transition Pathways for the Efficiency and Stability of Organic Solar Cells

Controlled morphology of solution-processed thin films have realized impressive achievements for non-fullerene acceptor (NFA)–based organic solar cells (OSCs). Given the large set of donor–acceptor pairs, employing various processing conditions to realize optimal morphology for high efficiency and stable OSCs is a strenuous task. Therefore, comprehensive correlations between processing conditions and morphology evolution pathways have to be developed for efficient performance and stability of devices. Within the framework of the blend system, crystallization transitions of NFA molecules are tracked utilizing the first heating scan of differential scanning calorimeter (DSC) measurement correlating with respective morphology evolution of blend films. Real-time dynamics measurements and morphology characterizations are combined to provide optimal morphology transition pathways as NFA molecules are shown to be released from the mixed phase to form balanced ordered packing with variant processing conditions. Polymer:NFA films are fabricated using blade coating incorporating solvent additive or thermal annealing as processing conditions as a correlation is formulated between performance and stability of solar cells with morphology transition pathways. In conclusion, this work demonstrates the significance of processing condition-controlled transition pathways for the realization of optimal morphology leading to superior OSC devices.

14 SOLAR ENERGY↗