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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Constraints on Cumulus Parameterization from Simulations of Observed MJO Events

Two recent activities offer an opportunity to test general circulation model (GCM) convection and its interaction with large-scale dynamics for observed Madden-Julian oscillation (MJO) events. This study evaluates the sensitivity of the Goddard Institute for Space Studies (GISS) GCM to entrainment, rain evaporation, downdrafts, and cold pools. Single Column Model versions that restrict weakly entraining convection produce the most realistic dependence of convection depth on column water vapor (CWV) during the Atmospheric Radiation Measurement MJO Investigation Experiment at Gan Island. Differences among models are primarily at intermediate CWV where the transition from shallow to deeper convection occurs. GCM 20-day hindcasts during the Year of Tropical Convection that best capture the shallow–deep transition also produce strong MJOs, with significant predictability compared to Tropical Rainfall Measuring Mission data. The dry anomaly east of the disturbance on hindcast day 1 is a good predictor of MJO onset and evolution. Initial CWV there is near the shallow–deep transition point, implicating premature onset of deep convection as a predictor of a poor MJO simulation. Convection weakly moistens the dry region in good MJO simulations in the first week; weakening of large-scale subsidence over this time may also affect MJO onset. Longwave radiation anomalies are weakest in the worst model version, consistent with previous analyses of cloud/moisture greenhouse enhancement as the primary MJO energy source. The authors’ results suggest that both cloud-/moisture-radiative interactions and convection–moisture sensitivity are required to produce a successful MJO simulation.

Madden-Julian Oscillation↗
NASA NTRSDate not supplied

Early Comparison of Ocean Analyses Using JEDI/SOCA 3 DVar vs. GEOS-S2S- 3 ODAS LETKF

At NASA’s Global Modeling and Assimilation Office (GMAO), data assimilation (DA) for the next-generation Goddard Earth Observing System Subseasonal-to-Seasonal (GEOS-S 2 S) coupled-model forecast system will transition to the Joint Effort for DA Integration (JEDI) system, which includes the marine DA component SOCA (Sea ice, Ocean, and Coupled Assimilation). It is envisioned that incorporating SOCA into GMAO Earth System Modeling will allow a more systematic approach to assimilating new data types (e.g., SWOT KaRIn), increasing resolution (e.g., 1/12°), and facilitating weakly (and eventually strongly) coupled DA (air-sea-ice, etc.). To prepare for this transition, testing is underway to compare SOCA results at high ocean resolution against the current GEOS-S 2 S Version 3 Ocean DA System (ODAS) 1 using similar initial conditions and observations.

David Russell↗
DOE OSTI2024

Realignment and suppression of charge density waves in the rare-earth tritellurides 𝑅⁢Te 3 (𝑅 = La, Gd, Er)

The rare-earth tritellurides have a rich phase diagram that includes charge density waves (CDWs), superconductivity, and magnetic order, offering a platform to study the interplay between these phases on a square-net system. Prior studies have shown that defects can affect the CDW characteristics in these materials, yet coupling between the CDW order and the underlying microstructure has not been studied at the nanoscale. Here we use scanning transmission electron microscopy at cryogenic temperatures to directly visualize the effects of defects on the CDW order and provide a spatially resolved microscopic correlation between the CDW transition and structural defects. Here, we show that in the presence of extended defects, such as dislocations and stacking faults, the weak orthorhombicity of the rare-earth tritellurides is lost and the material becomes pseudotetragonal. Since the orthorhombicity acts as a symmetry breaking field for the CDW transitions in rare-earth tritellurides, the presence of these extended defects modulates the energetics of the CDWs and suppresses the ground-state CDW phase at low temperature.

Charge density waves↗
DOE OSTI2023

Excitonic Spin-Coherence Lifetimes in CdSe Nanoplatelets Increase Significantly with Core/Shell Morphology

Here, we report spin-polarized transient absorption for colloidal CdSe nanoplatelets as functions of thickness (2–6 monolayer thickness) and core/shell motif. Using electro-optical modulation of co- and cross-polarization pump–probe combinations, we sensitively observe spin-polarized transitions. Core-only nanoplatelets exhibit few-picosecond spin lifetimes that weakly increase with layer thickness. The spectral content of differenced spin-polarized signals indicate biexciton binding energies that decrease with increasing thickness and smaller values than previously reported. Shell growth of CdS with controlled thicknesses, which partially delocalize the electron from the hole, significantly increases the spin lifetime to ~49 ps at room temperature. Implementation of ZnS shells, which do not alter delocalization but do alter surface termination, increased spin lifetimes up to ~100 ps, bolstering the interpretation that surface termination heavily influences spin coherence, likely due to passivation of dangling bonds. Spin precession in magnetic fields both confirms long coherence lifetime at room temperature and yields the excitonic g factor.

2D semiconductor↗
DOE OSTI2022

A nitrogen- and carbonyl-rich conjugated small-molecule organic cathode for high-performance sodium-ion batteries

Organic-based cathode materials have attracted considerable attention for sustainable Na-ion batteries due to their great promise to overcome the issues arising from the insertion of large Na + into the rigid structures of conventional transition-metal-containing inorganic electrodes. The structural flexibility as a result of weak intermolecular interactions and simple electron- and ion-storage mechanisms found in organic compounds ensure facile and reversible transport of Na ions. In order to address the general drawbacks of small-molecule organic electrodes such as material dissolution in commonly used organic electrolytes and poor electronic conductivity, we report the use of a nitrogen- and carbonyl-rich highly extended π-conjugated small molecule, hexaazatrianthranylene (HATA) embedded quinone (HATAQ), as a cathode for sodium-ion batteries. The unique hydrogen bonds between highly functionalized conjugated HATAQ molecules allow supramolecular graphite-like 2D layered arrangements in the solid state which help facilitate the structural stability during long-term cycling and promote charge transfer. The compound delivers a capacity as high as 460 mA h g -1 at 500 mA g -1 and an excellent capacity retention of 99% (~138 mA h g -1 ) after 5000 cycles at an extremely high rate of 60 A g -1 . The reaction kinetics and redox mechanism of the material have been elucidated by several characterization techniques together with density functional theory (DFT) studies. The insights gained in this work could pave the way for ultra-high-performance small-molecule organic cathodes for sustainable energy storage.

25 ENERGY STORAGE↗
DOE OSTI2024

Fabrication of single-crystalline YFeO3 films with large antiferromagnetic domains

The antiferromagnetic orthoferrite YFeO3 possesses fascinating magnetic properties for spintronics, such as terahertz spin dynamics, ultrafast domain wall motion, and long magnon decay length. YFeO3 belongs to a special family of antiferromagnets that show an unusually strong non-trivial Kerr response due to its weak ferromagnetism. The highly stable antiferromagnetic domains without any spontaneous spin rotation transitions below the 645 K Néel temperature may be useful for nanoscale device applications. We report the successful fabrication of high-quality twinning-free (110)-oriented YFeO3 films by pulsed laser deposition. Detailed structural and magnetic characterization revealed that the crystal structure and magnetic properties of the YFeO3 films are comparable to bulk single crystals. We show that the spin rotation under high magnetic fields follows the two-sublattice approximation model. The film surface is atomically flat with step-terrace surface morphology. A longitudinal magneto-optic Kerr (MOKE) rotation of 10 mdeg was observed at room temperature, which is consistent with earlier reports on bulk single crystals. The in-plane anisotropy of the Kerr response corresponds to the obtained magnetic anisotropy from the SQUID measurement. The large MOKE signal enables the imaging of antiferromagnetic domains and their reversal. The domain size was found to be larger than 100 μm. These high-quality YFeO3 thin films facilitate the fabrication of antiferromagnetic spintronic devices and provide a convenient platform for studying various spin-related phenomena in thin films and at interfaces.

Physics↗
DOE OSTI2020

Type Ia supernovae deflagration-to-detonation transition explosions powered by the Zel’dovich reactivity gradient mechanism

ABSTRACT Our aim in this work is to identify and explain the necessary conditions required for an energetic explosion of a Chandrasekhar-mass white dwarf. We construct and analyse weakly compressible turbulence models with nuclear burning effects for carbon/oxygen plasma at a density expected for the deflagration-to-detonation transition (DDT) to occur. We observe the formation of carbon deflagrations and transient carbon detonations at early times. As turbulence becomes increasingly inhomogeneous, sustained carbon detonations are initiated by the Zel’dovich reactivity gradient mechanism. The fuel is suitably preconditioned by the action of compressive turbulent modes with wavelength comparable to the size of resolved turbulent eddies; no acoustic wave is involved in this process. Oxygen detonations are initiated, aided either by reactivity gradients or by collisions of carbon detonations. The observed evolutionary time-scales are found to be sufficiently short for the above process to occur in the expanding, centrally ignited massive white dwarf. The inhomogeneous conditions produced prior to the DDT might be of consequence for the chemical composition of the outer ejecta regions of Type Ia supernovae from the single degenerate channel, and offer the potential for validation of the proposed model.

Brooker, E.↗
DOE OSTI2020

Three-Magnon Bound State in the Quasi-One-Dimensional Antiferromagnet α-NaMnO 2

Here we report on the formation of a three-magnon bound state in the quasi-one-dimensional antiferromagnet α-NaMnO 2 , where the single-ion, uniaxial anisotropy inherent to the Mn 3+ ions in this material provides a binding mechanism capable of stabilizing higher order magnon bound states. While such states have long remained elusive in studies of antiferromagnetic chains, neutron scattering data presented here demonstrate that higher order n > 2 composite magnons exist, and, speci fically, that a weak three-magnon bound state is detected below the antiferromagnetic ordering transition of NaMnO 2 . We corroborate our findings with exact numerical simulations of a one-dimensional Heisenberg chain with easy-axis anisotropy using matrix-product state techniques, nding a good quantitative agreement with the experiment. Furthermore, these results establish NaMnO 2 as a unique platform for exploring the dynamics of composite magnon states inherent to a classical antiferromagnetic spin chain with Ising-like single ion anisotropy.

1-dimensional spin chains↗
DOE OSTI2021

Monolayer CrCl 3 as an Ideal Test Bed for the Universality Classes of 2D Magnetism

The monolayer halides CrX 3 (X=Cl, Br, I) attract significant attention for realizing 2D magnets with genuine long-range order (LRO), challenging the Mermin-Wagner theorem. In this work, we show that monolayer CrCl 3 has the unique benefit of exhibiting tunable magnetic anisotropy upon applying a compressive strain. This opens the possibility to use CrCl 3 for producing and studying both ferromagnetic and antiferromagnetic 2D Ising-type LRO as well as the Berezinskii-Kosterlitz-Thouless (BKT) regime of 2D magnetism with quasi-LRO. Using state-of-the-art density functional theory, we explain how realistic compressive strain could be used to tune the monolayer's magnetic properties so that it could exhibit any of these phases. Building on large-scale quantum Monte Carlo simulations, we compute the phase diagram of strained CrCl 3 , as well as the magnon spectrum with spin-wave theory. Our results highlight the eminent suitability of monolayer CrCl 3 to achieve very high BKT transition temperatures, around 50 K, due to their singular dependence on the weak easy-plane anisotropy of the material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Phase diagram of infinite layer praseodymium nickelate Pr 1– x Sr x NiO 2 thin films

In this paper, we report the phase diagram of infinite layer Pr 1-x Sr x NiO 2 thin films synthesized via topotactic reduction from the perovskite precursor phase using CaH 2 . Based on the electrical transport properties, we find a doping-dependent superconducting dome extending between x = 0.12 and 0.28, with a maximum superconducting transition temperature T c of 14 K at x = 0.18, bounded by weakly insulating behavior on both sides. In contrast to the narrower dome observed in Nd 1–x Sr x NiO 2 , a local T c suppression near x = 0.2 was not observed for the Pr 1-x Sr x NiO 2 system. Normal state Hall effect measurements indicate mixed carrier contributions of both electrons and holes, and show a sign change in the Hall coefficient as functions of temperature and x, quite similar to that in Nd 1-x Sr x NiO 2 . Also similar is the observation of a minimum in the normal state resistivity associated with the superconducting compositions. These findings indicate an infinite layer nickelate phase diagram that is relatively insensitive to the rare-earth element, but suggest that disorder arising from the variations of the ionic radii on the rare-earth site affects the superconducting dome.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Robust preparation of ground state phases under noisy imaginary time evolution

Nonunitary state preparation protocols such as imaginary time evolution (ITE) offer substantial advantages relative to unitary ones, including the ability to prepare certain long-range correlated states more efficiently. Here, we ask whether such protocols are also robust to noise arising due to coupling to the environment. We consider a nonunitary ITE “circuit” subjected to a variety of noise models and investigate whether the resulting steady state remains in the same phase as the target state of the ITE at finite noise strength. Taking the one-dimensional quantum Ising model as a concrete example, we find that the ground-state order and associated phase transition persist in the presence of noise, provided the noise does not explicitly break the symmetry that protects the phase transition. That is, the noise must possess the protecting symmetry in a weak (or average) form. Our analysis is facilitated by a mapping to an effective Hamiltonian picture in a doubled Hilbert space. We discuss possible implications of these findings for quantum simulation on noisy quantum hardware. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Toward a 3d Ising model with a weakly-coupled string theory dual

It has long been expected that the 3d Ising model can be thought of as a string theory, where one interprets the domain walls that separate up spins from down spins as two-dimensional string worldsheets. The usual Ising Hamiltonian measures the area of these domain walls. This theory has string coupling of unit magnitude. We add new local terms to the Ising Hamiltonian that further weight each spin configuration by a factor depending on the genus of the corresponding domain wall, resulting in a new 3d Ising model that has a tunable bare string coupling g_s g s . We use a combination of analytical and numerical methods to analyze the phase structure of this model as g_s g s is varied. We study statistical properties of the topology of worldsheets and discuss the prospects of using this new deformation at weak string coupling to find a worldsheet description of the 3d Ising transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

CO/+/ in comet Schwassmann-Wachmann 1 near minimum brightness

A spectrum of comet Schwassmann-Wachmann 1, taken when the comet was in a quiescent state 6.19 AU from the sun, shows the 1-0, 2-0, 3-0 and 4-0 vibrational transitions of the A2Pi-X2Sigma band system of CO(+) and a weak solar reflection continuum. It is noted that such emission has never been observed in this comet when in a quiescent state. Mechanisms for outbursts in the comet are discussed.

Larson, S. M.↗
NASA NTRS1984

Anisotropy and shear-velocity heterogeneities in the upper mantle

Long-period surface waves are used to map lateral heterogeneities of velocity and anisotropy in the upper mantle. The dispersion curves are expanded in spherical harmonics up to degree 6 and inverted to find the depth structure. The data are corrected for the effect of surface layers and both Love and Rayleigh waves are used. Shear wave velocity and shear polarization anisotropy can be resolved down to a depth of about 450 km. The shear wave velocity distribution to 200 km depth correlates with surface tectonics, except in a few anomalous regions. Below that depth the correlation vanishes. Cold subducted material shows up weakly at 350 km as fast S-wave anomalies. In the transition region a large scale pattern appears with fast mantle in the South-Atlantic. S-anisotropy at 200 km can resolve uprising or downwelling currents under some ridges and subduction zones. The Pacific shows a NW-SE fabric.

Nataf, H.-C.↗
NASA NTRS1986

One- and two-photon Compton scattering in strong magnetic fields

Calculations are made of the Compton scattering cross section in a very strong magnetic field, such as encountered in pulsars, for arbitrary photon and electron energies. The effect of the vacuum polarization in the weak-field limit is included as well as the plasma polarizability. Radiative transitions between any pair of Landau levels are included as well as two-photon scattering. The latter process, due to the presence of the cyclotron resonance, becomes comparable to nonresonant one-photon scattering when excited final states are allowed, and acts as a source of photons which is more important than bremsstrahlung at low plasma densities.

Bussard, R. W.↗
NASA NTRS1990

Oxide superconductors under magnetic field

One of the current most serious problems for the oxide superconductors from the standpoint of practical application is the various novel features derived mainly from their extremely short coherence. In particular, the coherence length so far observed in the cuprate superconductors is in the range of 0.1 nm perpendicular to the CuO2 plane. This seems to be creating most of the difficulties in the device fabrication and in the performance under the magnetic field. Some of the superconducting properties under the magnetic field will be discussed in terms of the short coherence length. A model will be presented based on the gradual strengthening of the pinning force with decrease in temperature and the weak coupling at the grain boundaries. Secondly, the broadening of the superconducting transition under the magnetic field is discussed. This is observed significantly only when the field is applied perpendicular to the basal plane and the relative orientation of the current to the field is insignificant in determining the extent of the broadening. Besides, the change in the strength of the pinning force does not affect the width of the broadening. From these observations discussions will be made on a model based on the giant fluctuation. Based on this model, it is predicted that the coherence length along the c-axis will be the single most important material parameter to determine the performance of the superconductor under a strong magnetic field. It seems that BYCO is superior in this regard to Bi- or Tl-systems as far as the performance at 77 K is considered, although another material with the coherence length slightly longer along the c-axis is still highly desired.

Kitazawa, K.↗
NASA NTRS1990

Instabilities in rotating channel flow

A combination of linear, weakly nonlinear, and secondary stability theories has been used to study the transition process in rotating channel flow. Results for parts of the theory have been confirmed by direct numerical simulations. Preliminary results indicate that the theory can help explain some experimental observations regarding the evolution of streamwise vortices.

Ng, Lian↗
NASA NTRS1991

Oxide superconductors under magnetic field

One of the current most serious problems for the oxide superconductors from the standpoint of practical application is the various novel features derived mainly from their extremely short coherence. In particular, the coherence length so far observed in the cuprate superconductors is in the range of 0.1 nm perpendicular to the CuO2 plane. This seems to be creating most of the difficulties in the device fabrication and in the performance under the magnetic field. Some of the superconducting properties under the magnetic field will be discussed in terms of the short coherence length. A model will be presented based on the gradual strengthening of the pinning force with decrease in temperature and the weak coupling at the grain boundaries. Secondly, the broadening of the superconducting transition under the magnetic field is discussed. This is observed significantly only when the field is applied perpendicular to the basal plane and the relative orientation of the current to the field is insignificant in determining the extent of broadening. Besides, the change in the strength of the pinning force does not affect the width of the broadening. From these observations discussions will be made on a model based on the giant fluctuation. Based on this model, it is predicted that the coherence length along the c-axis will be the single most important material parameter to determine the performance of the superconductor under a strong magnetic field. It seems that BYCO is superior in this regard to Bi- or Tl-systems as far as the performance at 77 K is considered, although another material with the coherence length slightly longer along the c-axis is still highly desired.

Kitazawa, K.↗