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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Effect of flight on jet noise from supersonic underexpanded flows

Experiments on underexpanded cold jet flows from a convergent nozzle under simulated flight conditions have shown that a large periodic spinning motion of the jet can occur with greatly enhanced broadband noise production. Shadowgraph pictures indicate that this oscillatory jet motion accompanies the generation of random weak shock waves at the source. These waves appear to be generated at the point downstream of the nozzle exit where the shock cells in the jet begin to disappear. The weak shock waves propagate upstream and have been identified to be the cause of enhanced broadband jet noise production in flight. In addition, the results show that the boundary layer flow conditions over the outside of the primary nozzle (simulating engine cowl flow in flight) have a key role in the production of these random weak shock waves.

Sarohia, V.↗
NASA NTRS1982

An observation of LHR noise with banded structure by the sounding rocket S29 Barium-GEOS

The measurement of electrostatic and obviously locally produced noise near the lower hybrid frequency made by the sounding rocket S29 Barium-GEOS is reported. The noise is strongly related to the spin of the rocket and reaches well below the local lower hybrid resonance frequency. Above the altitude of 300 km the noise shows banded structure roughly organized by the hydrogen cyclotron frequency. Simultaneously with the banded structure, a signal near the hydrogen cyclotron frequency is detected. This signal is also spin related. The characteristics of the noise suggest that it is locally generated by the rocket payload disturbing the plasma. If this interpretation is correct we expect plasma wave experiments on other spacecrafts, e.g., the space shuttle to observe similar phenomena.

Koskinen, H. E. J.↗
NASA NTRS2019

STROBE-X: X-ray Timing & Spectroscopy on Dynamical Timescales from Milliseconds to Years

We describe a probe-class mission concept that provides an unprecedented view of the X-ray sky, performing timing and 0.2-30 keV spectroscopy over timescales from microseconds to years. The Spectroscopic Time-Resolving Observatory for Broadband Energy X-rays (STROBE-X) has three key science drivers: (1) measuring the spin distribution of accreting black holes, (2) understanding the equation of state of dense matter, and (3) exploring the properties of the precursors and electromagnetic counterparts of gravitational wave sources. To perform these science investigations, STROBE-X comprises three primary instruments. The first uses an array of lightweight optics (3-m focal length) that concentrate incident photons onto solid state detectors with CCD-level (85-130 eV) energy resolution, 100 ns time resolution, and low background rates to cover the 0.2-12 keV band. This technology is scaled up from NICER, with enhanced optics to take advantage of the longer focal length of STROBE-X. The second uses large-area collimated silicon drift detectors, developed for ESA's LOFT, to cover the 2-30 keV band. These two instruments each provide an order of magnitude improvement in effective area compared with its predecessor (NICER and RXTE, respectively). Finally, a sensitive sky monitor triggers pointed observations, provides high duty cycle, high time resolution, high spectral resolution monitoring of the X-ray sky with ~20 times the sensitivity of the RXTE ASM, and enables multi-wavelength and multi-messenger studies on a continuous, rather than scanning basis. The STROBE-X mission concept is a rapidly repointable observatory in low-Earth orbit, similar to RXTE or Swift, and will be presented to the 2020 Astrophysics Decadal Survey for consideration as a probe-class mission.

STROBE-X: X-ray↗
DOE OSTI2022

Testing for pair density wave order in La 1.875 Ba 0.125 CuO 4

We report charge order is commonly believed to compete with superconducting order. An intertwined form of a superconducting wave function, known as pair density wave (PDW) order, has been proposed; however, direct evidence, theoretical or experimental, that it forms the ground state of any cuprate superconductor is lacking. As a test case, we consider La 2-x Ba x CuO 4 with x = 1/8, where charge and spin stripe orders within the CuO 2 planes compete with three-dimensional superconducting order. We report measurements of the superconducting critical current perpendicular to the planes in the presence of an in-plane magnetic field. The variation of the critical current with orientation of the field is inconsistent with a theoretical prediction specific to the PDW model. It appears, instead, that the orientation dependence of the critical-current density might be determined by a minority phase of d-wave superconductivity that is present as a consequence of doped-charge inhomogeneity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantifying magnetic field driven lattice distortions in kagome metals at the femto-scale using scanning tunneling microscopy

A wide array of unusual phenomena has recently been uncovered in kagome solids. The charge density wave (CDW) state in the kagome superconductor AV 3 Sb 5 , in particular, intrigued the community; the CDW phase appears to break the time-reversal symmetry despite the absence of spin magnetism, which has been tied to exotic orbital loop currents possibly intertwined with magnetic field tunable crystal distortions. To test this connection, precise determination of the lattice response to an applied magnetic field is crucial but can be challenging at the atomic scale. We establish a scanning tunneling microscopy (STM) based method to study the evolution of the AV 3 Sb 5 atomic structure as a function of magnetic field. The method substantially reduces the errors of typical STM measurements, which are at the order of 1% when measuring an in-plane lattice constant change. Here, we find that the out-of-plane lattice constant of AV 3 Sb 5 remains unchanged (within 10 —6 ) by the application of both in-plane and out-of-plane magnetic fields. We also reveal that the in-plane lattice response to magnetic field is at most at the order of 0.05%. Our experiments provide further constraints on time-reversal symmetry breaking in kagome metals and establish a tool for higher-resolution extraction of the field-lattice coupling at the nanoscale applicable to other quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Magnetoelastic resonance as a probe for exchange springs at antiferromagnet-ferromagnet interfaces

In prototype ferromagnet-antiferromagnet interfaces we demonstrate that surface acoustic waves can be used to identify complex magnetic phases arising upon evolution of exchange springs in an applied field. Applying sub-GHz surface acoustic waves to study the domain structure of the ferromagnetic layer in exchange-biased bilayers of Ir 20 Mn 80 -Co 60 Fe 20 B 20 , we are able to associate the magnetoelastic resonance with the presence of the exchange spin-spirals in both the ferromagnetic and antiferromagnetic layer. Our findings offer a complementary, integrative insight into emergent magnetic materials for applications of noncollinear spin textures in view of low-energy-consumption spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2016

GW151226: Observation of Gravitational Waves from a 22-Solar-Mass Binary Black Hole Coalescence

We report the observation of a gravitational-wave signal produced by the coalescence of two stellar-mass black holes. The signal, GW151226, was observed by the twin detectors of the Laser Interferometer Gravitational-Wave Observatory (LIGO) on December 26, 2015 at 03:38:53 UTC. The signal was initially identified within 70 s by an online matched-filter search targeting binary coalescences. Subsequent off-line analyses recovered GW151226 with a network signal-to-noise ratio of 13 and a significance greater than 5(sigma). The signal persisted in the LIGO frequency band for approximately 1 s, increasing in frequency and amplitude over about 55 cycles from 35 to 450 Hz, and reached a peak gravitational strain of 3.4(+0.7/-0.9) x 10(exp -22). The inferred source-frame initial black hole masses are 14.2(+8.3/-3.7 Stellar Mass and 7.5(+2.3/-2.3) Stellar Mass, and the final black hole mass is 20.8(+6.1/-1.7) Stellar Mass. We find that at least one of the component black holes has spin greater than 0.2. This source is located at a luminosity distance of 440(+180/-190) Mpc corresponding to a redshift of 0.090(+.030/-0.04). All uncertainties define a 90% credible interval. This second gravitational-wave observation provides improved constraints on stellar populations and on deviations from general relativity.

Abbott, B. P.↗
DOE OSTI2021

Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics

Abstract Far from equilibrium phenomenon is a central theme of contemporary material research. Such phenomenon can exhibit itself in atomic structure and dynamics, but very often it also happens as non‐equilibrium phenomenon in the electronic structure. In ab initio material simulation, density functional theory (DFT) has played an essential role in studying electronic ground state problems. For excited states, besides many‐body perturbation theory, another powerful tool is the time dependent DFT (TDDFT) method. In particular, the real‐time TDDFT (rt‐TDDFT) method can be used to simulate many non‐equilibrium phenomena directly. Here we introduce our works on some algorithm advances based on our recently rt‐TDDFT method. This method uses the plane‐wave basis set, and significantly accelerates its efficiency by increasing the time step from 0.1–1 as in traditional methods to 0.2–0.5 fs. The noncollinear magnetic moments and spin–orbit coupling have also been included in our rt‐TDDFT method. Furthermore, a Boltzmann‐TDDFT algorithm has been developed to solve the hot carrier overheating problem in Ehrenfest dynamics, and a natural orbital branching algorithm has been developed to overcome the mean‐field approximation in Ehrenfest dynamics nuclear trajectory, thus allows stochastic multiple paths in chemical reactions. Utilizing these methods, we have studied the photoinduced ultrafast demagnetization, ultrafast phase transition, energy transfer between plasmon and hot carriers, as well as the high‐energy ion implantation and low‐energy atomic diffusion in semiconductors. We believe the tools as the ones introduced here can enable us to study a wide range of phenomena which are of great interest in modern day material research. This article is categorized under: Structure and Mechanism > Computational Materials Science Electronic Structure Theory > Ab Initio Electronic Structure Methods Electronic Structure Theory > Density Functional Theory

Liu, Wen‐Hao↗
DOE OSTI2023

Spin-dependent interactions and heavy-quark transport in the quark-gluon plasma

We extend a previously constructed T-matrix approach to the quark-gluon plasma (QGP) to include the effects of spin-dependent interactions between partons. Following earlier work within the relativistic quark model, the spin-dependent interactions figure as relativistic corrections to the Cornell potential. When applied to the vacuum spectroscopy of quarkonia, in particular their mass splittings in S- and P-wave states, the issue of the Lorentz structure of the confining potential arises. We confirm that a significant admixture of a vector interaction (to the previously assumed scalar interaction) improves the description of the experimental mass splittings. The temperature corrections to the in-medium potential are constrained by results from thermal lattice-QCD for the equation of state (EoS) and heavy-quark (HQ) free energy in a self-consistent set-up for heavy- and light-parton spectral functions in the QGP. We then deploy the refined in-medium heavy-light T-matrix to compute the charm-quark transport coefficients in the QGP. The vector component of the confining potential, through its relativistic corrections, enhances the friction coefficient for charm quarks in the QGP over previous calculations by tens of percent at low momenta and temperatures, and more at higher momenta. Our results are promising for improving the current phenomenology of open heavy-flavor observables at Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A Physical Model for Understanding the Activation of MoS 2 Basal-plane Sulfur Atoms for the Hydrogen Evolution Reaction

All the DFT calculations are done with the Vienna Ab Initio Simulation Package (VASP) using the projector augmented wave method. The Bayesian error estimation exchange-correlation functionals (BEEF) with van der Waals interactions are employed. A plane-wave cutoff energy of 400 eV is used together with PAW-PBE potentials where semi core p states are treated as valence. All the calculations allow for spin-polarization. The structures are relaxed until the force is converged to < 0.01 eV/Å. The lattice parameter of MoS 2 unit cell, optimized with this functional, is 3.19 Å. A (4×4) supercell is used to model all the transition metal doped MoS 2 systems studied here, including those with S vacancies. For calculations in the initial dopant structure exploration, the Brillouin zone is sampled with a 3x3x1 Monkhorst-Pack k-point mesh. A 6×6×1 Monkhorst-Pack k-point mesh is used for the H binding energy and density of states calculations. In all calculations, the vacuum layer is set as 15 Å to eliminate periodic interaction perpendicular to the basal plane.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

GW190814: Gravitational Waves from the Coalescence of a 23 Solar Mass Black Hole with a 2.6 Solar Mass Compact Object

We report the observation of a compact binary coalescence involving a 22.2-24.3 M ⊙ black hole and a compact object with a mass of 2.50-2.67 M ⊙ (all measurements quoted at the 90% credible level). The gravitational-wave signal, GW190814, was observed during LIGO's and Virgo's third observing run on 2019 August 14 at 21:10:39 UTC and has a signal-to-noise ratio of 25 in the three-detector network. The source was localized to 18.5 deg 2 at a distance of 241 +41-41 Mpc; no electromagnetic counterpart has been confirmed to date. The source has the most unequal mass ratio yet measured with gravitational waves , 0.112+0.0090.008, , and its secondary component is either the lightest black hole or the heaviest neutron star ever discovered in a double compact-object system. The dimensionless spin of the primary black hole is tightly constrained to ≤0.07. Tests of general relativity reveal no measurable deviations from the theory, and its prediction of higher-multipole emission is confirmed at high confidence. We estimate a merger rate density of 1-23 Gpc -3 yr -1 for the new class of binary coalescence sources that GW190814 represents. Astrophysical models predict that binaries with mass ratios similar to this event can form through several channels, but are unlikely to have formed in globular clusters. However, the combination of mass ratio, component masses, and the inferred merger rate for this event challenges all current models of the formation and mass distribution of compact-object binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

Endo-Fullerene and Doped Diamond Nanocrystallite Based Models of Qubits for Solid-State Quantum Computers

Models of encapsulated 1/2 nuclear spin H-1 and P-31 atoms in fullerene and diamond nanocrystallite, respectively, are proposed and examined with ab-initio local density functional method for possible applications as single quantum bits (qubits) in solid-state quantum computers. A H-1 atom encapsulated in a fully deuterated fullerene, C(sub 20)D(sub 20), forms the first model system and ab-initio calculation shows that H-1 atom is stable in atomic state at the center of the fullerene with a barrier of about 1 eV to escape. A P-31 atom positioned at the center of a diamond nanocrystallite is the second model system, and 3 1P atom is found to be stable at the substitutional site relative to interstitial sites by 15 eV, Vacancy formation energy is 6 eV in diamond so that substitutional P-31 atom will be stable against diffusion during the formation mechanisms within the nanocrystallite. The coupling between the nuclear spin and weakly bound (valance) donor electron coupling in both systems is found to be suitable for single qubit applications, where as the spatial distributions of (valance) donor electron wave functions are found to be preferentially spread along certain lattice directions facilitating two or more qubit applications. The feasibility of the fabrication pathways for both model solid-state qubit systems within practical quantum computers is discussed with in the context of our proposed solid-state qubits.

Park, Seongjun↗
DOE OSTI2023

Analysis of Unpolarised p+p¿ Photoproduction with the GlueX Experiment

This thesis presents measurements of spin-density matrix elements in unpolarised p+p? photoproduction on a proton target. The dominant resonance contribution to the dipion system is the r(770) meson. Due to the large production cross section for this resonance, a valid comparison can be made between the obtained final results and r(770) spin-density matrix elements measured previously with other experiments. The measurement was performed over the 3:0 ? 11:6 GeV beam energy regime, which is a more extensive energy range than has ever been studied previously for the r(770). Results were obtained by analysing data from the GlueX experiment based at Jefferson Lab. Extended maximum likelihood fits were applied to extract three spin-density matrix elements using Markov chain Monte Carlo based parameter estimations. This was performed using various binning configurations to probe the energy, mass, and four-momentum transfer dependence of the determined physics observables. Spin-density matrix elements are shown to be consistent with the model of s-channel helicity conservation at low ?t. The effects of pomeron and f2 exchanges are clearly visible in the energy dependence of the measured observables. These observations provide valuable insights into the relative strengths of both processes as a function of the photon energy, and may enable theorists to disentangle the f2=P coupling ratio. Spin-density matrix elements are seen to be highly dependent on the reconstructed resonance mass. This observation is likely to be a result of non-resonant S-wave background processes, and emphasises the need for a more detailed model of the p+p? angular distribution that considers all of the competing angular momentum components that contribute to the measured final state. The statistical precision of measurements performed for this thesis surpass what was achievable in previous studies of the r(770) by several orders of magnitude. Studies of the energy and four-momentum transfer dependence, and insights into the effects of non r(770) background contributions provide valuable input for production models. This will help inform the choice of wave-sets used for partial wave analyses, supporting GlueX in its search for exotic hybrid meson states.

Fitches, James↗
DOE OSTI2026

Identification of In Situ Generated High-Spin Fe(II)-N 4 Active Sites for Acidic Oxygen Reduction Reaction via Operando 57 Fe Mössbauer Spectroscopy

Iron-nitrogen-carbon (FeNC) catalysts are considered among the most promising alternative to Pt catalysts in acidic oxygen reduction reaction (ORR), yet the geometric and electronic structures of the true active site under reaction conditions have not been clearly elucidated. Herein, we synthesized a representative FeNC catalyst by pyrolyzing Fe 3+ absorbed on ZIF-8-derived N-doped carbon at a mild temperature under the H 2 /Ar atmosphere, where a formation mechanism of FeN 4 sites through a Zn-mediated Fe nanoparticle atomization process was proposed. The resulting FeNC-750 catalyst shows high acidic ORR activity with a half-wave potential of 0.838 V and a peak power density of 1 W cm -2 in proton-exchange membrane fuel cell (PEMFC). By using operando 57 Fe Mössbauer spectroscopy on FeNC-750, it was revealed that the pyrrolic N-coordinated high-spin Fe 2+ N 4 sites, which are in situ generated from high-spin Fe 3+ N 4 during ORR, are identified as catalytic active states. Density functional theory calculations further verified that, compared to the pyridinic N-coordinated low-spin Fe 2+ N 4 , the pyrrolic N-coordinated high-spin Fe 2+ exhibits optimized adsorption energy for reaction intermediates, thereby lowering the energy barrier of the rate-determining step (RDS) and facilitating OH* desorption. In conclusion, this work provides both experimental and theoretical evidence of the true active site in the FeNC during acidic ORR, offering significant insights for the rational design of high-performance materials for acidic fuel cells.

FeNC catalyst↗
NASA NTRS2013

Compact Binary Progenitors of Short Gamma-Ray Bursts

In recent years, detailed observations and accurate numerical simulations have provided support to the idea that mergers of compact binaries containing either two neutron stars (NSs) or an NS and a black hole (BH) may constitute the central engine of short gamma-ray bursts (SGRBs). The merger of such compact binaries is expected to lead to the production of a spinning BH surrounded by an accreting torus. Several mechanisms can extract energy from this system and power the SGRBs. Here we connect observations and numerical simulations of compact binary mergers, and use the current sample of SGRBs with measured energies to constrain the mass of their powering tori. By comparing the masses of the tori with the results of fully general-relativistic simulations, we are able to infer the properties of the binary progenitors that yield SGRBs. By assuming a constant efficiency in converting torus mass into jet energy epsilon(sub jet) = 10%, we find that most of the tori have masses smaller than 0.01 Solar M, favoring "high-mass" binary NSs mergers, i.e., binaries with total masses approx >1.5 the maximum mass of an isolated NS. This has important consequences for the gravitational wave signals that may be detected in association with SGRBs, since "high-mass" systems do not form a long-lived hypermassive NS after the merger. While NS-BH systems cannot be excluded to be the engine of at least some of the SGRBs, the BH would need to have an initial spin of approx. 0.9 or higher.

accretion disks↗
NASA NTRS2007

Advances in Black-Hole Mergers: Spins and Unequal Masses

The last two years have seen incredible development in numerical relativity: from fractions of an orbit, evolutions of an equal-mass binary have reached multiple orbits, and convergent gravitational waveforms have been produced from several research groups and numerical codes. We are now able to move our attention from pure numerics to astrophysics, and address scenarios relevant to current and future gravitational-wave detectors.Over the last 12 months at NASA Goddard, we have extended the accuracy of our Hahn-Dol code, and used it to move toward these goals. We have achieved high-accuracy simulations of black-hole binaries of low initial eccentricity, with enough orbits of inspiral before merger to allow us to produce hybrid waveforms that reflect accurately the entire lifetime of the BH binary. We are extending this work, looking at the effects of unequal masses and spins.

Kelly, Bernard↗
DOE OSTI2021

EPR of Photoexcited Triplet-State Acceptor Porphyrins

The photoexcited triplet states of porphyrin architectures are of significant interest in a wide range of fields including molecular wires, nonlinear optics, and molecular spintronics. Electron paramagnetic resonance (EPR) is a key spectroscopic tool in the characterization of these transient paramagnetic states singularly well suited to quantify spin delocalization. Previous work proposed a means of extracting the absolute signs of the zero-field splitting (ZFS) parameters, D and E, and triplet sublevel populations by transient continuous wave, hyperfine measurements, and magnetophotoselection. Here, we present challenges of this methodology for a series of mesoperfluoroalkyl-substituted zinc porphyrin monomers with orthorhombic symmetries, where interpretation of experimental data must proceed with caution and the validity of the assumptions used in the analysis must be scrutinized. The EPR data are discussed alongside quantum chemical calculations, employing both DFT and CASSCF methodologies. Despite some success of the latter in quantifying the magnitude of the ZFS interaction, the results clearly provide motivation to develop improved methods for ZFS calculations of highly delocalized organic triplet states.

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

Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories

Significance The ground state of a quantum mechanical system is the lowest-energy eigenstate of the Hamiltonian. In isolation, it persists unchanged forever, with symmetries dictated by those of the Hamiltonian. But near-eigenstates of broken symmetry can persist for long times, even on the scale of human measurement. The appearance of broken symmetries of the electron density or spin density in a density functional calculation can reveal strong correlations among the electrons that are present in a symmetry-unbroken wavefunction. Symmetry breaking can arise when a wave-like fluctuation drops to zero frequency. The presented examples are the stretched hydrogen molecule, antiferromagnetism in solids, and the static charge-density wave in a low-density jellium, which is shown quantitatively to be a zero-frequency plasma wave.

42 ENGINEERING↗