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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tracking the Light-Induced Excited-State Dynamics and Structural Configurations of an Extraordinarily Long-Lived Metastable State at Room Temperature

Time-resolved X-ray (Tr-XAS) and optical transient absorption (OTA) spectroscopy in the pico-microsecond time scale coupled with Density Functional theory calculations are applied to study the light-induced spin crossover processes of a Fe-based macrocyclic complex in solution. Tr-XAS analysis after light illumination shows the formation of a seven-coordinated high spin quintet metastable state which relaxes to a six-coordinated high spin configuration before decaying to ground state. Kinetic analysis of the macrocyclic complex reveals an unprecedented long-lived decay lifetime of ~42.6 µs. Comparative studies with a non-macrocyclic counterpart illustrate a significantly shortened ~568-old decay lifetime of ~75 ns, and highlight the importance of the ligand arrangement in stabilizing the reactivity of the excited state. Lastly, OTA analysis shows the seven-coordinated high spin state to be formed within ~6.2 ps. Finally, these findings provide a complete understanding of the spin crossover reaction and relaxation pathways of the macrocyclic complex, and reveal the importance of a flexible coordination environment for their rational design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Spin excitations and dynamics in 2D magnets: An overview of magnons and magnetic skyrmions

van der Waals magnetic materials open up exciting possibilities to investigate fundamental spin properties in low-dimensional systems and to build compact functional spintronic structures. This review focuses on the recent progress in two-dimensional (2D) magnets that explore beyond the homogenous magnetically ordered state, including magnons (spin waves), magnetic skyrmions, and complex magnetic domains. Properties of these spin and topology excitations in 2D magnets provide insights into spin-orbit interactions and other forms of coupling between electrons, phonons, and spin-dependent excitations. Such spin-based quasiparticles can also serve as information carriers for next-generation high-speed computing elements. Furthermore, we will first lay out the general theoretical basis of dynamical responses in magnetic systems, followed by detailed descriptions of experimental progress in magnons and spin textures (including magnetic domains and skyrmions). Discussion on the experimental techniques and future perspectives are also included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Spin Alignment of Vector Mesons in Heavy-Ion Collisions

Polarized quarks and antiquarks in high-energy heavy-ion collisions can lead to the spin alignment of vector mesons formed by quark coalescence. Here, using the relativistic spin Boltzmann equation for vector mesons derived from Kadanoff-Baym equations with an effective quark-meson model for strong interaction and quark coalescence model for hadronizaton, we calculate the spin density matrix element $ρ_{00}$ for Φ mesons and show that anisotropies of local field correlations with respect to the spin quantization direction lead to Φ meson's spin alignment. We propose that the local correlation or fluctuation of Φ fields is the dominant mechanism for the observed Φ meson's spin alignment and its strength can be extracted from experimental data as functions of collision energies. The calculated transverse momentum dependence of $ρ_{00}$ agrees with STAR's data. We further predict the azimuthal angle dependence of $ρ_{00}$ which can be tested in future experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1982

Phenomenological optical potential analysis of proton-carbon elastic scattering at 200 MeV

Differential cross sections for 200 MeV protons elastically scattered from C-12 were analyzed utilizing a local, complex, spin-dependent optical potential with a harmonic well radial dependence. Analyses were performed using the WKB and eikonal approximations. For the latter, first-order corrections to he phase shifts were incorporated to account for the spin-orbit contribution. Large disagreement between theory and experiment was observed when the usual Thomas form for the spin-orbit potential was utilized. Substantial improvement was obtained by allowing the parameters in the central and spin-orbit potential terms to vary independently.

Bidasaria, H. B.↗
DOE OSTI2025

Charge-Transfer States Enable Spin-Selective Formation of Quartet State Qudits in Luminescent Radical-Chromophore Dyads

Luminescent tris(2,4,6-trichlorophenyl)methyl (TTM) radicals are promising doublet emitters that have been used to generate spin-optical interfaces in molecular electron spin qudits. In particular, photoexcitation of covalent TTM-chromophore dyads can generate quartet spin states that can be detected via photoluminescence. However, the mechanism of quartet spin initialization is complicated by competing charge-transfer (CT) and energy-transfer (EnT) pathways between the radical and the chromophore. Here, we demonstrate the role of CT intermediates by engineering a covalent dyad of TTM and naphthalene-(1,4:5,8)-bis(dicarboximide) (NDI), a well-known electron acceptor chromophore. Transient absorption spectroscopy indicates that photoexcitation of TTM results in ultrafast electron transfer from 2* TTM to NDI, which kinetically outcompetes EnT. Electron paramagnetic resonance spectroscopy reveals that charge recombination proceeds via spin–orbit charge-transfer intersystem crossing to generate 3* NDI, followed by spin mixing with 2TTM to form the quartet state. Furthermore, this process uniquely spin-polarizes the quartet state, providing fundamental design principles to purify the initial wave function for quantum information processing.

Charge transfer↗
DOE OSTI2021

Quantum spin state transitions in the spin-1 equilateral triangular lattice antiferromagnet Na 2 BaNi(PO 4 ) 2

We report we have grown single crystals of Na 2 BaNi(PO 4 ) 2 , a spin-1 equilateral triangular lattice antiferromagnet (ETLAF), and performed magnetic susceptibility, specific heat, and thermal conductivity measurements at ultralow temperatures. The main results are as follows: (i) At zero magnetic field, Na 2 BaNi(PO 4 ) 2 exhibits a magnetic ordering at 430 mK with a weak ferromagnetic moment along the $\textit{c}$ axis. This suggests a canted 120° spin structure, which is in a plane including the crystallographic $\textit{c}$ axis due to the existence of an easy-axis anisotropy and ferromagnetically stacked along the $\textit{c}$ axis. (ii) With increasing field along the $\textit{c}$ axis, a 1/3 magnetization plateau is observed, which means that the canted 120° spin structure is transformed into an up-up-down (UUD) spin structure. With even higher fields, the UUD phase further evolves into possible V and V' phases. (iii) With increasing field along the $\textit{a}$ axis, the canted 120° spin structure is possibly transformed into an umbrella phase and a V phase. Therefore Na 2 BaNi(PO 4 ) 2 is a rare example of a spin-1 ETLAF with single-crystalline form that exhibits easy-axis spin anisotropy and a series of quantum spin state transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Reconstructing the spatial structure of quantum correlations in materials

Quantum correlations are a fundamental property of quantum many-body states. Yet they remain experimentally elusive, hindering certification of genuine quantum behavior, especially in quantum materials. Here we show that the momentum-dependent dynamical susceptibility measured via inelastic neutron scattering enables the systematic reconstruction of a general family of quantum correlation functions, which express the degree of quantum coherence in the fluctuations of two spins at an arbitrary mutual distance. Using neutron scattering data for the compound KCuF 3 —a system of weakly coupled S = 1 / 2 Heisenberg chains—and numerically exact quantum Monte Carlo data, we show that quantum correlations possess a radically different spatial structure with respect to conventional correlations. Indeed, they exhibit a different emergent length scale—the quantum coherence length—which is finite at any finite temperature (including when long-range magnetic order develops). Moreover, we show theoretically that coupled Heisenberg spin chains exhibit a form of quantum monogamy, with a trade-off between quantum correlations along and transverse to the spin chains. These results highlight real-space quantum correlators as an informative, model-independent means of probing the underlying quantum state of real quantum materials. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2021

A perspective on two-dimensional van der Waals opto-spin-caloritronics

Two-dimensional (2D) van der Waals magnetic semiconductors displaying controllable ferromagnetism at room temperature form atomically sharp interfaces with various substrates. Such heterostructures create platforms for understanding spin-dependent phenomena across interfaces and surfaces for high-performance technological applications. Combining these 2D magnets with light and the spin Seebeck effect (SSE) in-state-of-the-art thermo-opto-spin studies forms a new paradigm in the field of spin-caloritronics that harnesses light as the new heat. In this Perspective, we detail how to exploit recent advances in 2D van der Waals materials to boost the SSE and propose a new strategy for optically controlled SSE in 2D magnetic semiconductor-based heterostructures with the intent to establish the research thrust of “opto-spin-caloritronics.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Superdiffusion from Nonabelian Symmetries in Nearly Integrable Systems

The Heisenberg spin chain is a canonical integrable model. As such, it features stable ballistically propagating quasiparticles, but spin transport is subballistic at any nonzero temperature: An initially localized spin fluctuation spreads in time t to a width t 2/3 . This exponent as well as the functional form of the dynamical spin correlation function suggest that spin transport is in the Kardar–Parisi–Zhang (KPZ) universality class. However, the full counting statistics of magnetization is manifestly incompatible with KPZ scaling. A simple two-mode hydrodynamic description, derivable from microscopic principles, captures both the KPZ scaling of the correlation function and the coarse features of the full counting statistics, but remains to be numerically validated. These results generalize to any integrable spin chain invariant under a continuous nonabelian symmetry and are surprisingly robust against moderately strong integrability-breaking perturbations that respect the nonabelian symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1937

Spinning Characteristics of Wings III : a Rectangular and Tapered Clark Y Monoplane Wing with Rounded Tips

An investigation was made to determine the spinning characteristics of Clark Y monoplane wings with different plan forms. A rectangular wing and a wing tapered 5:2, both with rounded tips, were tested on the N.A.C.A. spinning balance in the 5-foot vertical wind tunnel. The aerodynamic characteristics of the models and a prediction of the angles of sideslip for steady spins are given. Also included is an estimate of the yawning moment that must be furnished by the parts of the airplane to balance the inertia couples and wing yawing moment for spinning equilibrium. The effects on the spin of changes in plan form and of variations of some of the important parameters are discussed and the results are compared with those for a rectangular wing with square tips. It is concluded that for a conventional monoplane using Clark Y wing the sideslip will be algebraically larger for the wing with the rounded tip than for the wing with the square tip and will be largest for the tapered wing. The effect of plan form on the spin will vary with the type of airplane; and the provision of a yawing-moment coefficient of -0.025 (i.e., opposing the spin) by the tail, fuselage, and interference effects will insure against the attainment of equilibrium on a steady spin for any of the plan forms tested and for any of the parameters used in the analysis.

Bamber, M J↗
NASA NTRS1937

Free-spinning Wind-tunnel Tests of a Low-wing Monoplane with Systemic Changes in Wings and Tails

A series of tests was made at the National Advisory Committee for Aeronautics (NACA) free-spinning tunnel to determine the effect of systematic changes in wing and tail arrangement upon steady-spinning and recovery characteristics of a conventional low-wing monoplane model for a basic loading condition. Eight wings and three tails, covering a wide range of aerodynamic characteristics, were independently ballasted so as to be interchangeable with no change in mass distribution. For each of the 24 wing-tail combinations, observations were made of steady spins for four control settings and of recoveries for five control manipulators. The results are presented in the form of charts comparing the spin characteristics. The results showed that, with a poor tail arrangement, wing plan form and tip shape had a considerable effect on the spinning characteristics.

Seidman, Oscar↗
DOE OSTI2021

Ultra spin liquid in Lu 3 Cu 2 Sb 3 O 14

Abstract We analyze recent measurements of C / T , specific heat C divided by temperature T , of a recently observed ultra spin liquid. The measurements are carried out in magnetic fields on the triangular lattice compound . We show that the obtained heat capacity formed by the ultra spin liquid as a function of temperature T vs. magnetic field B behaves very similar to the electronic specific heat of the HF metal and the quantum magnet . We demonstrate that the effective mass of spinon exhibits the universal scaling coinciding with scaling observed in heavy-fermion (HF) metals and in . Based on these observations we conclude that a strongly correlated spin liquid determines the thermodynamic properties of the ultra spin liquid of .

Physics↗
NASA NTRS1995

Pair cascades in extragalactic jets. 1: Gamma rays

A model of the approximately 0.1-10 GeV gamma-ray jets observed by the EGRET instrument on the Compton Gamma Ray Observatory (CGRO) is developed. It is shown that the soft X-ray background in an active galactic nuclei (AGN) contributes an opacity to pair production and that a gamma-ray photosphere or 'gamma-sphere' can be defined whose radius increases with gamma-ray energy E(sub gamma). It is proposed that the observed gamma-ray emission is due to inverse Compton scattering of the ambient soft X-rays by relativistic pairs accelerated in situ by shock fronts in a relativistic jet. For a wide range of assumed physical conditions, the emission at a given E(sub gamma) originates from near the associated gamma-spheres; emission from below the gamma-sphere initiates a cascade down to the energy where the gamma-rays can escape freely. In this model, the slope of the emergent gamma-ray spectrum is determined by the scattered, soft X-ray spectrum and the variation of the particle acceleration rate with jet radius. In general it is expected that the variation in the gamma-ray flux will be either slower or later at higher energy. It is also shown that the efficiency of conversion of energy from injected high-energy pairs to 0.1-10 GeV gamma-rays is typically high so that the models are radiatively efficient. It is argued that the observed gamma-ray jets are likely to be particle-dominated, though magnetically confined. The gamma-ray spectrum should continue down to an energy approximately 5 MeV emitted from an annihilation radius within which the pair content of the jet is limited by annihilation. This is probably the site of the beamed hard X-ray emission. It is speculated that the relativistic jets associated with radio-loud AGNs are powered electromagnetically by a spinning black hole and that they are collimated by an encircling MHD wind leaving the accretion disk at a slower speed. Powerful FR2 radio sources are formed when the hole spins rapidly and the relativistic core accelerates the MHD sheath; low-power FR1 sources ensue when the opposite occurs. Finally, it is suggested that the key factor which determines whether or not a given active nucleus can form a jet and a radio to gamma-ray nonthermal continuum is the central density of mass-losing stars which, when large, precludes the formation of a super-Alfvenic, collimating wind.

Blandford, R. D.↗
DOE OSTI2025

Understanding the Existence of a Na 2 Dimer in a High-Spin State

The recent observation of a high-spin Na 2 dimer formed on the surface of liquid helium nanodroplets raises some fundamental questions, as the ground state of Na 2 is known to have zero spin. Is it protected against spontaneous dissociation? What is its binding energy and interatomic distance? Is it stable at a higher temperature? Using calculations based on density functional theory (with and without long-range interaction) and coupled cluster methods, CCSD(T), we show that the bonding in the high-spin Na 2 dimer is governed by van der Waals interaction with binding energy (bond length) varying between −0.030 eV (5.108 Å) and −0.192 eV (4.231 Å), depending on the computational method used. Thus, the experimental method used by Kresin and coworkers can be very useful to study larger metastable high-spin clusters such as Li 4 which was predicted in 1985 to have a tetrahedral structure carrying a magnetic moment of 2 μ B , while its ground state is planar and nonmagnetic.

Basis sets↗
DOE OSTI2022

Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe 3

Spin and lattice are two fundamental degrees of freedom in a solid, and their fluctuations about the equilibrium values in a magnetic ordered crystalline lattice form quasiparticles termed magnons (spin waves) and phonons (lattice waves), respectively. In most materials with strong spin-lattice coupling (SLC), the interaction of spin and lattice induces energy gaps in the spin wave dispersion at the nominal intersections of magnon and phonon modes. Here we use neutron scattering to show that in the two-dimensional (2D) van der Waals honeycomb lattice ferromagnetic CrGeTe 3 , spin waves propagating within the 2D plane exhibit an anomalous dispersion, damping, and breakdown of quasiparticle conservation, while magnons along the c axis behave as expected for a local moment ferromagnet. These results indicate the presence of dynamical SLC arising from the zero-temperature quantum fluctuations in CrGeTe 3 , suggesting that the observed in-plane spin waves are mixed spin and lattice quasiparticles fundamentally different from pure magnons and phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Collapsar Gamma-Ray Bursts Grind Their Black Hole Spins to a Halt

Abstract The spin of a newly formed black hole (BH) at the center of a massive star evolves from its natal value due to two competing processes: accretion of gas angular momentum that increases the spin and extraction of BH angular momentum by outflows that decreases the spin. Ultimately, the final, equilibrium spin is set by a balance between both processes. In order for the BH to launch relativistic jets and power aγ-ray burst (GRB), the BH magnetic field needs to be dynamically important. Thus, we consider the case of a magnetically arrested disk (MAD) driving the spin evolution of the BH. By applying the semianalytic MAD BH spin evolution model of Lowell et al. to collapsars, we show that if the BH accretes ∼20% of its initial mass, its dimensionless spin inevitably reaches small values,a≲ 0.2. For such spins, and for mass accretion rates inferred from collapsar simulations, we show that our semianalytic model reproduces the energetics of typical GRB jets,L jet ∼ 10 50 erg s −1 . We show that our semianalytic model reproduces the nearly constant power of typical GRB jets. If the MAD onset is delayed, this allows powerful jets at the high end of the GRB luminosity distribution,L jet ∼ 10 52 erg s −1 , but the final spin remains low,a≲ 0.3. These results are consistent with the low spins inferred from gravitational wave detections of binary BH mergers. In a companion paper by Gottlieb et al., we use GRB observations to constrain the natal BH spin to bea≃ 0.2.

Astronomy & Astrophysics↗
DOE OSTI2024

Regulation of Side‐Chain Symmetry for Delaying Triplet Formation and Suppressing Non‐Radiative Loss in Organic Solar Cells

Abstract The structural revolutions of non‐fullerene acceptors (NFAs) have driven continuous efficiency breakthroughs in organic solar cells (OSCs). Rational regulation of NFA structures toward efficient exciton dissociation and mitigated non‐radiative recombination is pivotal for OSCs. The incorporation of asymmetric side chains on NFAs can often achieve these goals by inducing a desirable aggregate state. However, it lacks the studies to directly correlate the side‐chain symmetry of NFAs with the exciton delocalization and triplet dynamics in OSCs. Herein, The influence of structural symmetry on the aggregate properties is systematically investigated and exciton/charge dynamics based on two developed biaxial‐conjugated NFAs with varied side‐chain symmetry. The symmetric NFA having diverse molecular packing orientations can form multiple charge transfer channels in its blend with polymer donor, which cannot be found in that comprising the asymmetric ones. Moreover, a slower rate and lower ratio of the spin‐triplet state are formed in the blend of symmetric NFA, resulting in a much lower non‐radiative voltage loss in corresponding OSCs. This study reveals the distinct advantages of symmetric NFAs in both aggregate properties and exciton/charge dynamics over those of asymmetric ones, paving the way for developing high‐performance OSCs using easier‐to‐prepare, low‐cost symmetric materials.

Chemistry↗