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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Magnetic excitations of the hybrid multiferroic (ND 4 ) 2 FeCl 5 ·D 2 O

We report a comprehensive inelastic neutron scattering study of the hybrid molecule-based multiferroic compound ( ND 4 ) 2 FeCl 5 · D 2 O in the zero-field incommensurate cycloidal phase and the high-field quasicollinear phase. The spontaneous electric polarization changes its direction concurrently with the field-induced magnetic transition, from mostly aligned with the crystallographic a axis to the c axis. To account for such a change in polarization direction, the underlying multiferroic mechanism was proposed to switch from the spin-current model induced via the inverse Dzyaloshinskii-Moriya interaction to the p - d hybridization model. We perform a detailed analysis of the inelastic neutron data of ( ND 4 ) 2 FeCl 5 · D 2 O using linear spin-wave theory to quantify magnetic interaction strengths and investigate the possible impact of different multiferroic mechanisms on the magnetic couplings. Overall our result reveals that the spin dynamics of both multiferroic phases can be well described by a Heisenberg Hamiltonian with easy-plane anisotropy. We do not find notable differences between the optimal model parameters of the two phases. The hierarchy of exchange couplings and the balance among frustrated interactions remain the same between two phases, suggesting that magnetic interactions in ( ND 4 ) 2 FeCl 5 · D 2 O are much more robust than the electric polarization in response to delicate reorganizations of the electronic degrees of freedom in an applied magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Measurement-induced purification in large- N hybrid Brownian circuits

Competition between unitary dynamics that scrambles quantum information nonlocally and local measurements that probe and collapse the quantum state can result in a measurement-induced entanglement phase transition. Here we study this phenomenon in an analytically tractable all-to-all Brownian hybrid circuit model composed of qubits. The system is initially entangled with an equal sized reference, and the subsequent hybrid system dynamics either partially preserves or totally destroys this entanglement depending on the measurement rate. Our approach can access a variety of entropic observables which are distinguished by the averaging procedure, and for concreteness we focus on a particular purity quantity for which the averaging is particularly simple. We represent the purity as a path integral coupling four replicas with twisted boundary conditions. Saddle-point analysis reveals a second-order phase transition corresponding to replica permutation symmetry breaking below a critical measurement rate. The transition is mean-field-like and we characterize the critical properties near the transition in terms of a simple Ising field theory in 0 + 1 dimensions. In addition to studying the purity of the entire system, we study subsystem purities and relate these results to manifestations of quantum error correction in the model. Here, we also comment on the experimental feasibility for simulating this averaged purity, and corroborate our results with exact diagonalization for modest system sizes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Interface engineering of phase separation in SrRuO 3 /SrTiO 3 hybrid superlattices

Most observed phase separation phenomena in complex oxides occur in systems with chemical dopants or structural defects, and theories have established the strong connection between phase separation and the random distribution of chemical dopants. Recent experiments on fabricated high-quality oxide superlattices also confirmed that the phase separation is suppressed in the clean systems without chemical disorders. Thus far, phase separation in strongly correlated oxides without the need of chemical dopants or structural defects has not been fully demonstrated. Here, we have built chemically ordered hybrid superlattices using prototypical SrRuO 3 and SrTiO 3 perovskite oxides. Contrary to previous understandings, we observe phase separation of two magnetic phases with different spin easy axes. We elucidate this phenomenon through first-principles calculations that the hybrid superlattices have a spontaneous structural instability, leading to a coexistence of ferromagnetic and antiferromagnetic phases. In this work, our findings provide an alternative pathway other than chemical doping to introduce phase separation in correlated oxides and imply that phase separation can exist in clean systems without the need of chemical disorders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Entanglement phases in large- N hybrid Brownian circuits with long-range couplings

Here, we develop solvable models of large-N hybrid quantum circuits on qubits and fermions with tunable long-range power-law interactions and continuous local monitoring. These models provide analytical access to the entanglement phase diagram and error-correcting properties of many-body entangled nonequilibrium states generated by such dynamics. In one dimension, the long-range couplings are irrelevant for α > 3/2, where α is the power-law exponent, and the models exhibit a conventional measurement-induced phase transition between volume- and area-law entangled phases. For 1/2 < α < 3/2, the long-range couplings become relevant, leading to a nontrivial dynamical exponent at the measurement-induced phase transition. More interestingly, for α < 1, the entanglement pattern receives a subvolume correction for both area-law and volume-law phases, indicating that the phase realizes a quantum error correcting code whose code distance scales as L 2–2α . While the entanglement phase diagram is the same for both the interacting qubit and fermionic hybrid Brownian circuits, we find that long-range free-fermionic circuits exhibit a distinct phase diagram with two different fractal entangled phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Relativistic hybrid stars in light of the NICER PSR J0740 + 6620 radius measurement

We explore the implications of the recent radius determination of PSR J0740 + 6620 by the NICER experiment, combined with the neutron skin measurement by the PREX-II experiment and the associated inference of the slope of symmetry energy, for the structure of hybrid stars with a strong first-order phase transition from nucleonic to quark matter. Furthermore, we combine a covariant density-functional nucleonic equation of state (EOS) with a constant-speed-of-sound EOS for quark matter. We show that the radius and tidal deformability ranges obtained from GW170817 can be reconciled with the implication of the PREX-II experiment if there is a phase transition to quark matter in the low-mass compact star. In the high-mass segment, the EOS needs to be stiff to comply with the large-radius inference for PSR J0740 + 6620 and J0030 + 0451 with masses M ≃ 2 M ⊙ and M≃1.4 M⊙. We show that twin stars are not excluded, but the mass and radius ranges (with M ≥ M ⊙ ) are restricted to narrow domains ΔM twin ≲ 0.05 M ⊙ and ΔR twin ~ 1.0 km. We also show that the existence of twin configurations is compatible with the light companion in the GW190814 event being a hybrid star in the case of values of the sound-speed square s = 0.6 and s = 1/3.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

GUTs, hybrid topological defects, and gravitational waves

The symmetry breaking of grand unified gauge groups in the early Universe often leaves behind relic topological defects such as cosmic strings, domain walls, or monopoles. For some symmetry breaking chains, hybrid defects can form where cosmic strings attach to domain walls or monopoles attach to strings. In general, such hybrid defects are unstable, with one defect "eating" the other via the conversion of its rest mass into the other's kinetic energy and, subsequently, decaying via gravitational waves. In this work, we determine the gravitational wave spectrum from 1) the destruction of a cosmic string network by the nucleation of monopoles which cut up and "eat" the strings, 2) the collapse and decay of a monopole-string network by strings that eat the monopoles, 3) the destruction of a domain wall network by the nucleation of string-bounded holes on the wall that expand and eat the wall, and 4) the collapse and decay of a string-bounded wall network by walls that eat the strings. We call the gravitational wave signals produced from the eating of one topological defect by another "gravitational wave gastronomy." We find that the four gravitational wave gastronomy signals considered yield unique spectra that can be used to narrow down the SO (10) symmetry breaking chain to the Standard Model and the scales of symmetry breaking associated with the consumed topological defects. Moreover, the systems we consider are unlikely to have a residual monopole or domain wall problem.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Two first-order phase transitions in hybrid compact stars: Higher-order multiplet stars, reaction modes, and intermediate conversion speeds

We study compact stars with hybrid equations of state consisting of a nuclear outer region and two nested quark phases, each separated from the lower density phase by a strong first-order phase transition. The stability of these models is determined by calculating their radial oscillation modes with different conversion rates between adjacent phases and hence junction conditions for the modes at the phase separation interface between them. In the case when the timescale of transition is faster than the period of oscillations, we recover the traditional stability criterion implying that ∂M/∂ρ c > 0 on the stable branch(es), where M is the mass and ρ c is the central density. In the opposite limit of slow conversion, we find stable stellar multiplets beyond triplets consisting of stars that are stable by the usual criterion plus slow-conversion (denoted by s) hybrid stars with ∂M/∂ρ c < 0 that are stabilized due to an alternative junction condition on the fluid displacement field at the interface reflecting the slow rate of conversion. We also study the properties of the reaction mode, the radial mode that only exists for stars with rapid (abbreviated by r) phase transitions, in stars with either two rapid phase transitions or alternating rapid and slow phase transitions for the first time. Here, the implications of alternative junction conditions are also examined, with these conditions generally being found to provide stability properties similar to those for a slow conversion rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Nonequilibrium effects on stability of hybrid stars with first-order phase transitions

The stability of hybrid stars with first-order phase transitions as determined by calculating fundamental radial oscillation modes is known to differ from the predictions of the widely used Bardeen-Thorne-Meltzer criterion. We consider the effects of out-of-chemical-equilibrium physics on the radial modes and hence stability of these objects. For a barotropic equation of state, this is done by allowing the adiabatic sound speed to differ from the equilibrium sound speed. We show that doing so extends the stable branches of stellar models, allowing stars with rapid phase transitions to support stable higher-order stellar multiplets similarly to stars with multiple slow phase transitions. We also derive a new junction condition to impose on the oscillation modes at the phase transition. Termed the reactive condition, it is physically motivated, consistent with the generalized junction conditions between two phases, and has the common rapid and slow conditions as limiting cases. Unlike the two common cases, it can only be applied to nonbarotropic stars. Here, we apply this junction condition to hybrid stellar models generated using a two-phase equation of state consisting of nuclear matter with unpaired quark matter at high densities joined by a first-order phase transition and show that, like in the slow limiting case, stars that are classically unstable are stabilized by a finite chemical reaction speed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Velocity reconstruction in the era of DESI and Rubin/LSST. I. Exploring spectroscopic, photometric, and hybrid samples

Peculiar velocities of galaxies and halos can be reconstructed from their spatial distribution alone. This technique is analogous to the baryon acoustic oscillations reconstruction, using the continuity equation to connect density and velocity fields. The resulting reconstructed velocities can be used to measure imprints of galaxy velocities on the cosmic microwave background like the kinematic Sunyaev-Zel’dovich effect or the moving lens effect. As the precision of these measurements increases, characterizing the performance of the velocity reconstruction becomes crucial to allow unbiased and statistically optimal inference. In this paper, we quantify the relevant performance metrics: the variance of the reconstructed velocities and their correlation coefficient with the true velocities. We show that the relevant velocities to reconstruct for kSZ and moving lens are actually the halo—rather than galaxy—velocities. We quantify the impact of redshift-space distortions, photometric redshift errors, satellite galaxy fraction, incorrect cosmological parameter assumptions and smoothing scale on the reconstruction performance. Here, we also investigate hybrid reconstruction methods, where velocities inferred from spectroscopic samples are evaluated at the positions of denser photometric samples. We find that using exclusively the photometric sample is better than performing a hybrid analysis. The 2 Gpc/ℎ length simulations from abacussummit with realistic galaxy samples for DESI and Rubin LSST allow us to perform this analysis in a controlled setting. In the companion paper [B. Hadzhiyska, S. Ferraro, B. Ried Guachalla, and E. Schaan, companion paper, Phys. Rev. D 109, 103534 (2024).], we further include the effects of evolution along the light cone and give realistic performance estimates for DESI luminous red galaxies, emission line galaxies, and Rubin LSST-like samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Time-resolved investigation of subnanosecond radiation from Al wire hybrid X pinches

K-shell x-ray spectra from Al wire hybrid X pinches have been studied using an x-ray streak camera with better than 0.1-ns time resolution together with a Focusing Spectrograph with Spatial Resolution (FSSR) spectrograph. High-intensity radiation with a continuumlike spectrum was observed in the subnanosecond initial phase of the x-ray pulse generated by the hybrid X pinch (HXP). Here, the absence of spectral lines in this phase and the extremely small x-ray source size indicates the importance of radiative processes in the final phase implosion dynamics. Plasma parameters in the following phases of the HXP were determined from analysis of the line intensities. Point-projection radiography together with a slit-step wedge camera and an FSSR spectrograph without time resolution were used to show the number of radiation sources, and to give information on the time-integrated photon energy spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nematoelasticity of hybrid molecular-colloidal liquid crystals

Colloidal rods immersed in a thermotropic liquid-crystalline solvent are at the basis of so-called hybrid liquid crystals, which are characterized by tunable nematic fluidity with symmetries ranging from conventional uniaxial nematic or antinematic to orthorhombic. Here, we provide a theoretical analysis of the elastic moduli of such systems by considering interactions between the individual rods with the embedding solvent through surface-anchoring forces, as well as steric and electrostatic interactions between the rods themselves. For uniaxial systems, the presence of colloidal rods generates a marked increase of the splay elasticity, which we found to be in quantitative agreement with experimental measurements. For orthorhombic hybrid liquid crystals, we provide estimates of all 12 elastic moduli and show that only a small subset of those elastic constants play a relevant role in describing the nematoelastic properties. The complexity and possibilities related to identifying the elastic moduli in experiments are briefly discussed.

42 ENGINEERING↗
DOE OSTI2024

Slow-Wave Hybrid Magnonics

Cavity magnonics is an emerging research area focusing on the coupling between magnons and photons. Despite its great potential for coherent information processing, it has been long restricted by the narrow interaction bandwidth. Here, in this Letter, we theoretically propose and experimentally demonstrate a novel approach to achieve broadband photon-magnon coupling by adopting slow waves on engineered microwave waveguides. To the best of our knowledge, this is the first time that slow wave is combined with hybrid magnonics. Its unique properties promise great potentials for both fundamental research and practical applications, for instance, by deepening our understanding of the light -matter interaction in the slow wave regime and providing high -efficiency spin wave transducers. The device concept can be extended to other systems such as optomagnonics and magnomechanics, opening up new directions for hybrid magnonics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Tuned and screened range-separated hybrid density functional theory for describing electronic and optical properties of defective gallium nitride

We apply a hybrid density functional theory approach, based on a tuned and screened range-separated hybrid (SRSH) exchange-correlation functional, to describe the optoelectronic properties of defective gallium nitride (GaN). SRSH and time-dependent SRSH (TDSRSH) are tuned to produce accurate energetics for the pristine material and applied to the study of a series of point defects in bulk GaN, a blue light-emitting material that degrades in the presence of defects. We first establish the accuracy of the method by comparing the predicted quasiparticle gap and low-energy excitation spectra of (TD)SRSH and many-body perturbation theory for both pristine GaN and GaN containing a single nitrogen vacancy. Aided by the reduced computational cost of (TD)SRSH, we then report on three additional technologically relevant point defects and defect complexes in GaN: the gallium vacancy, the carbon interstitial, and the carbon-silicon complex. We compute the low-energy optical absorption spectra for these defects and show the presence of defect-centered transitions. Furthermore, by estimating the Stokes shift, we predict, in agreement with previous studies, that the carbon substitutional defect is a candidate for the detrimental yellow luminescence in GaN. Furthermore, this study indicates that TDSRSH is a promising and computationally feasible approach for quantitatively accurate, first-principles modeling of defective semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hybrid interatomic potential for Sn

To design materials for extreme applications, it is important to understand and predict phase transitions and their influence on material properties under high pressures and temperatures. Atomistic modeling can be a useful tool to assess these behaviors. However, this can be difficult due to the lack of fidelity of the interatomic potentials in reproducing this high pressure and temperature extreme behavior. Here, in this work, a hybrid EAM-R—which is the combination of embedded atom method (EAM) and rapid artificial neural network potential—for Tin (Sn) is described which is capable of accurately modeling the complex sequence of phase transitions between different metallic polymorphs as a function of pressure. This hybrid approach ensures that a basic empirical potential like EAM is used as a lower energy bound. By using the final activation function, the neural network contribution to energy must be positive, assuring stability over the whole configuration space. This implementation has the capacity to reproduce density functional theory results at 6 orders of magnitude slower than a pair potential for molecular dynamics simulation, including elastic and plastic characteristics and relative energies of each phase. Using calculations of the Gibbs free energy, it is demonstrated that the potential precisely predicts the experimentally observed phase changes at temperatures and pressures across the whole phase diagram. At 10.2 GPa, the present potential predicts a first-order phase transition between body-centered tetragonal (BCT) β-Sn and another polymorph of BCT-Sn. This structure transforms into body-centered cubic near the experimentally reported value at 33 GPa. Thus, the Sn potential developed in this paper can be used to study complex deformation mechanisms under extreme conditions of high pressure and strain rates unlike existing potentials. Moreover, the framework developed in this paper can be extended for different material systems with complex phase diagrams.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure and electronic tunability of acene alkylamine based layered hybrid organic-inorganic perovskites from first principles

Twelve layered hybrid organic-inorganic perovskites combining oligoacene derivatives [phenylmethylammonium (PMA), naphthylmethylammonium (NMA), anthrylmethylammonium (AMA), and tetrylmethylammonium (TMA)] and lead halides (Cl - , Br - , and I - anions) are investigated by first-principles density functional theory (DFT), showing broad, rational tunability of band gap, quantum well type, and spin-dependent energy band properties. Six compounds are known from previous syntheses and are used to devise a computational search space for likely low-energy structures. Among the six known compounds, a refined structure is identified for (NMA) 2 ⁢ PbCl 4 and a new, lower-energy structure is suggested for (AMA) 2 ⁢PbCl 4 . The DFT based search methodology is next applied to predict the likely structures for the six unknown compounds. Computationally predicted energy levels for all 12 compounds from spin-orbit coupled hybrid DFT reveal tunable type I quantum well alignments, with frontier orbitals located on the inorganic component, on the organic component, or on both, as controlled by cation and anion selection. In conclusion, several structures spontaneously break local and global inversion symmetry, causing strong spin splitting of the conduction bands [up to 0.12 eV for (PMA) 2 ⁢PbCl 4 ] and showing potential for spin-dependent transport properties and future spintronic and tunable chiroptical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Toward simulating quantum field theories with controlled phonon-ion dynamics: A hybrid analog-digital approach

Quantum field theories are the cornerstones of modern physics, providing relativistic and quantum mechanical descriptions of physical systems at the most fundamental level. Simulating real-time dynamics within these theories remains elusive in classical computing. This provides a unique opportunity for quantum simulators, which hold the promise of revolutionizing our simulation capabilities. Trapped-ion systems are successful quantum-simulator platforms for quantum many-body physics and can operate in digital, or gate-based, and analog modes. Inspired by the progress in proposing and realizing quantum simulations of a number of relativistic quantum field theories using trapped-ion systems, and by the hybrid analog-digital proposals for simulating interacting boson-fermion models, we propose hybrid analog-digital quantum simulations of selected quantum field theories, taking recent developments to the next level. On one hand, the semi-digital nature of this proposal offers more flexibility in engineering generic model interactions compared with a fully-analog approach. On the other hand, encoding the bosonic fields onto the phonon degrees of freedom of the trapped-ion system allows a more efficient usage of simulator resources, and a more natural implementation of intrinsic quantum operations in such platforms. This opens up new ways for simulating complex dynamics of e.g., Abelian and non-Abelian gauge theories, by combining the benefits of digital and analog schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Energy Level Gradients from Surface to Bulk in Hybrid Metal-Halide Perovskite Thin Films

Variations in local strain, defect densities, and composition of hybrid metal-halide perovskites have been reported to create heterogeneous energy landscapes in thin films, which impact charge-carrier diffusion and recombination dynamics. Here, we employ one- and two-photon transient absorption spectroscopy to selectively probe the dynamics of charge carriers from surface and bulk regions of methylammonium lead bromide thin films. Differences in the transient absorption spectra indicate that an energy gradient of approximately 100 meV is formed between the higher band-gap surface and lower band-gap bulk regions. Thus, during their lifetime, photoexcited carriers move away from the surface to recombine in the bulk, where our experiments detect long-lived charge populations despite the significant band splitting that has conventionally been assumed to inhibit efficient radiative recombination. Supported by first-principles calculations, we demonstrate that bright emission can still arise from the bulk with states that occupy a wide range of momenta in the vicinity of the band extrema, which show strong dipole transitions. Our results report that photoexcitations in the hybrid perovskites avoid defect-rich surface regions, and that particularly strong emission is generated from accumulated excitation populations in the bulk. Published by the American Physical Society 2024

Bourelle, Sean A.↗
DOE OSTI2025

Observation of thermally activated coherent magnon-magnon coupling in a magnonic hybrid system

In this work, we experimentally demonstrate coherent magnon-magnon coupling by thermal spin excitations in yttrium iron garnet/permalloy (YIG/Py) hybrid structures using microfocused Brillouin light scattering—an optical technique that enables the detection of zero-wave-vector and higher-order wave-vector spin waves in a broad frequency range. The thermally activated magnons in the bilayer lead to a hybrid excitation between magnon modes in the conductive Py layer with a wide wave-vector range and the first perpendicular standing magnon modes in the insulating YIG layer, facilitated by strong interfacial exchange coupling. To further investigate this coupling, we compare the thermal magnon spectra with the results obtained from electrical excitation and detection methods, which primarily detect the uniform Py mode. The realization of coherent coupling between incoherent (thermal) magnons is important for advancing energy-efficient magnonic devices, particularly in classical as well as quantum spin-wave computing technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗