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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Precursor of pair-density wave in doping Kitaev spin liquid on the honeycomb lattice

Abstract We study the effects of doping the Kitaev model on the honeycomb lattice where the spins interact via the bond-directional interaction J K , which is known to have a quantum spin liquid as its exact ground state. The effect of hole doping is studied within the t - J K model on a three-leg cylinder using density-matrix renormalization group. Upon light doping, we find that the ground state of the system has a dominant quasi-long-range charge-density-wave correlations but short-range single-particle correlations. In the pairing channel, the even-parity superconducting correlation is dominant with d -wave-like symmetry, which oscillates in sign as a function of separation with a period equal to that of the spin-density wave and two times the charge-density wave. Although these correlations fall rapidly (possibly exponentially) at long distances, this is never-the-less the example where a pair-density wave is the leading instability in the pairing channel on the honeycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum quenches of an SO(5) pseudospin reveal Higgs bosons

A controlled dynamical probe measurement of complex order parameter fluctuations of a system may reveal its massive collective excitations. Here, we design dynamical quench protocols to excite independently all ten midgap Higgs bosons in the isotropic Balian-Werthamer state of a spinful p -wave superfluid or superconductor. The analysis is based on microscopic equations of motion of an SO(5) pseudospin, an extension of the usual Bloch equation to a five-dimensional space. Key to these protocols is the realization of quenches that break the rotational symmetry of the kinetic energy and exploit the irreducible representation of the angular momentum J = 2. For perturbative quenches, we find ( nondecaying ) periodic oscillations in time of these Higgs modes. Finally, we present experimental protocols for superconductors (superfluids), with the intention of unveiling the nature of their order parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Topological solitonic macromolecules

Being ubiquitous, solitons have particle-like properties, exhibiting behaviour often associated with atoms. Bound solitons emulate dynamics of molecules, though solitonic analogues of polymeric materials have not been considered yet. Here we experimentally create and model soliton polymers, which we call “polyskyrmionomers”, built of atom-like individual solitons characterized by the topological invariant representing the skyrmion number. With the help of nonlinear optical imaging and numerical modelling based on minimizing the free energy, we reveal how topological point defects bind the solitonic quasi-atoms into polyskyrmionomers, featuring linear, branched, and other macromolecule-resembling architectures, as well as allowing for encoding data by spatial distributions of the skyrmion number. Application of oscillating electric fields activates diverse modes of locomotion and internal vibrations of these self-assembled soliton structures, which depend on symmetry of the solitonic macromolecules. Our findings suggest new designs of soliton meta matter, with a potential for the use in fundamental research and technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Diving into a holographic superconductor

Charged black holes in anti-de Sitter space become unstable to forming charged scalar hair at low temperatures T < T_\text{c} T < T c . This phenomenon is a holographic realization of superconductivity. We look inside the horizon of these holographic superconductors and find intricate dynamical behavior. The spacetime ends at a spacelike Kasner singularity, and there is no Cauchy horizon. Before reaching the singularity, there are several intermediate regimes which we study both analytically and numerically. These include strong Josephson oscillations in the condensate and possible `Kasner inversions’ in which after many e-folds of expansion, the Einstein-Rosen bridge contracts towards the singularity. Due to the Josephson oscillations, the number of Kasner inversions depends very sensitively on T T , and diverges at a discrete set of temperatures \{T_n\} { T n } that accumulate at T_c T c . Near these T_n T n , the final Kasner exponent exhibits fractal-like behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Jarzynski Equality for Conditional Stochastic Work

It has been established that the inclusive work for classical, Hamiltonian dynamics is equivalent to the two-time energy measurement paradigm in isolated quantum systems. However, a plethora of other notions of quantum work has emerged, and thus the natural question arises whether any other quantum notion can provide motivation for purely classical considerations. In the present analysis, we propose the conditional stochastic work for classical, Hamiltonian dynamics, which is inspired by the one-time measurement approach. This novel notion is built upon the change of expectation value of the energy conditioned on the initial energy surface. As main results, we obtain a generalized Jarzynski equality and a sharper maximum work theorem, which account for how non-adiabatic the process is. Our findings are illustrated with the parametric harmonic oscillator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

An Atom-Precise Approach to Damp First-Order Phase Transitions and Its Implications for Neuromorphic Signal Processing

Neuromorphic computing inspired by mammalian intelligence aims to emulate the nonlinear dynamics of biological neurons and synapses to achieve fast, low-energy, and highly efficient information processing. Brain-inspired computing relies on the design and discovery of materials exhibiting nonlinear current–voltage profiles, frequently underpinned by electronic state transitions, to achieve spiking neurons and dynamically tunable synapses. A signature challenge in the design of artificial neurons is controlling the steepness of first-order transitions in active elements, as abrupt transitions are at risk of driving unstable voltage and temperature oscillations, which result in catastrophic device failure. A critical knowledge gap is the lack of structure–function correlations mapping the composition and atomistic structure of crystalline solids to nonlinear dynamical response characteristics. Here, we address the key question of how modification of atomistic structure correlates with alteration of neuron-like functionality. Constructing oscillator circuits from millimeter-scale single crystals enables high-resolution atomic structure solutions, which we use to demonstrate that the selective positioning of Pb cations modifies charge ordering along a one-dimensional CuxV2O5 framework even at low insertion stoichiometries, thereby providing an atom-precise design parameter for damping first-order transitions. We use temperature-variant X-ray diffraction and X-ray spectroscopy to elucidate the suppression of Cu-ion shuttling based on the precise positioning of Pb ions in seven-coordinated tunnel interstitial sites as the mechanistic basis for transition broadening, thus bridging a critical gap between statistical mechanics and quantum chemical descriptions of phase transitions. Such mechanistic understanding thus paves the way to site-selective modification strategies for modulating the sharpness of first-order transitions, with an exemplary demonstration here in tuning neuronal signal processing.

Crystal structure↗
DOE OSTI2020

Momentum-resolved analysis of condensate dynamic and Higgs oscillations in quenched superconductors with time-resolved ARPES

Higgs oscillations in nonequilibrium superconductors provide a unique tool to obtain information about the underlying order parameter. Several properties like the absolute value, existence of multiple gaps, and the symmetry of the order parameter can be encoded in the Higgs oscillation spectrum. Studying Higgs oscillations with time-resolved angle-resolved photoemission spectroscopy (ARPES) has the advantage over optical measurements that a momentum-resolved analysis of the condensate dynamic is possible. In this paper, we investigate the time-resolved spectral function measured in ARPES for different quench protocols. We find that analyzing amplitude oscillations of the ARPES intensity in the whole Brillouin zone allows to understand how the condensate dynamic contributes to the emerging of collective Higgs oscillations. Furthermore, by evaluating the phase of these oscillations, the symmetry deformation dynamic of the condensate can be revealed, which gives insight about the ground state symmetry of the system. With such an analysis, time-resolved ARPES experiments might be used in the future as a powerful tool in the field of Higgs spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Mitigation of breathing oscillations and focusing of the plume in a segmented electrode wall-less Hall thruster

We report in the absence of the channel walls bounding the plasma, a wall-less Hall thruster is a promising configuration with a potentially longer lifetime and easier scalability than conventional Hall thrusters. Because the ion acceleration takes place in the fringing magnetic field with a strong axial component, the operation of a typical wall-less thruster is characterized by a large beam divergence of the plasma flow, which reduces the thrust. In this work, the addition of a biased segmented electrode to the wall-less thruster is shown to significantly narrow the plasma plume and suppress large amplitude breathing oscillations of the discharge current commonly associated with ionization instability. Both effects result in improvements to the thruster performance. Physical mechanisms responsible for these effects are unclear, but they are apparently associated with the reduction of the electron cross field transport to the anode and a transition in the breathing mode frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Ab initio evaluation of the electronic and optical properties of V B C B defect in wurtzite boron nitride as promising single-photon emitter

Single-photon emitters (SPEs) in the near-infrared (NIR) range with sharp and intense zero-phonon lines (ZPLs) of emission are critical for quantum communications. Certain local defects in wide-bandgap semiconductors create isolated occupied and unoccupied states within the bandgap of the host semiconductor and thus exhibit sharp ZPLs of emission. We designed and studied a defect in the wurtzite boron nitride as a potential SPE. It consists of a boron vacancy and a carbon atom substituting another boron atom (V B C B defect). The density of states is obtained within the GW method to identify favorable local defect states that may dominate optical transitions. The dielectric function and oscillator strength of the V B C B defect are obtained using the Bethe-Salpeter equation method to identify the optical excitations of the V B C B defect, from which we conclude that the defect could be a source of NIR emission with a narrow bright ZPL peak, thus an efficient SPE.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Leggett modes in a Dirac semimetal

Abstract Experiments have shown that several materials, including MgB 2 , iron-based superconductors and monolayer NbSe 2 , are multiband superconductors. Superconducting pairing in multiple bands can give rise to phenomena not available in a single band, including Leggett modes. A Leggett mode is the collective periodic oscillation of the relative phase between the phases of the superconducting condensates formed in the different bands. The experimental observation of Leggett modes is challenging because multiband superconductors are rare and because these modes describe charge fluctuations between bands and therefore are hard to probe directly. Also, the excitation energy of a Leggett mode is often larger than the superconducting gaps, and therefore they are strongly overdamped via relaxation processes into the quasiparticle continuum. Here, we show that Leggett modes and their frequency can be detected in a.c. driven superconducting quantum interference devices. We then use the results to analyse the measurements of such a quantum device, one based on a Dirac semimetal Cd 3 As 2 , in which superconductivity is induced by proximity to superconducting Al. These results show the theoretically predicted signatures of Leggett modes, and therefore we conclude that a Leggett mode is present in the two-band superconducting state of Cd 3 As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Time-resolved photoelectron imaging of complex resonances in molecular nitrogen

We have used the FERMI free-electron laser to perform time-resolved photoelectron imaging experiments on a complex group of resonances near 15.38 eV in the absorption spectrum of molecular nitrogen, N-2, under jet-cooled conditions. The new data complement and extend the earlier work of Fushitani et al. [Opt. Express 27, 19702-19711 (2019)], who recorded time-resolved photoelectron spectra for this same group of resonances. Time-dependent oscillations are observed in both the photoelectron yields and the photoelectron angular distributions, providing insight into the interactions among the resonant intermediate states. In addition, for most states, we observe an exponential decay of the photoelectron yield that depends on the ionic final state. This observation can be rationalized by the different lifetimes for the intermediate states contributing to a particular ionization channel. Finally, although there are nine resonances within the group, we show that by detecting individual photoelectron final states and their angular dependence, we can identify and differentiate quantum pathways within this complex system.

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

3D-printed micro ion trap technology for quantum information applications

Trapped-ion applications, such as in quantum information processing1, precision measurements, optical clocks and mass spectrometry, rely on specialized high-performance ion traps. The last three of these applications typically use traditional machining to customize macroscopic 3D Paul traps, whereas quantum information processing experiments usually rely on photolithographic techniques to miniaturize the traps and meet scalability requirements. Using photolithography, however, it is challenging to fabricate the complex 3D electrode structures required for optimal confinement. Here, in this work, we demonstrate a high-resolution 3D printing technology based on two-photon polymerization (2PP) that is capable of fabricating large arrays of high-performance miniaturized 3D traps. We show that 3D-printed ion traps combine the advantages, such as strong radial confinement, of traditionally machined 3D traps with on-chip miniaturization. We trap calcium ions in 3D-printed ion traps with radial trap frequencies ranging from 2 MHz to 24 MHz. The tight confinement eases ion cooling requirements and allows us to implement high-quality Rabi oscillations with Doppler cooling only. Also, we demonstrate a two-qubit gate with a Bell-state fidelity of 0.978 ± 0.012. With 3D printing technology, the design freedom is greatly expanded without sacrificing scalability and precision, so that ion trap geometries can be optimized for higher performance and better functionality.

quantum information↗
DOE OSTI2025

Mechanistic Insight into Tunable Spin Relaxation in Two-Dimensional Type-II Ligand-Perovskite Heterostructures

Two-dimensional (2D) metal-halide perovskites with spin-dependent optical properties hold great promise for spintronic and quantum applications. However, their spin lifetimes, especially for n = 1 2D perovskites, are typically limited to subpicosecond time scales due to rapid spin relaxation driven by strong spin−orbit coupling (SOC), electron−hole exchange interactions, and phonon-mediated scattering. Here, we demonstrate that type-II ligand-perovskite heterostructures overcome these constraints by reducing electron−hole wave function overlap and exciton binding energy. Compared to the type-I 2D perovskite (PEA) 2 PbI 4 with a spin lifetime of 0.29 ps at room temperature, our engineered type-II systems achieve substantially extended spin lifetimes, ∼6.37 ps for (4Tm) 2 PbI 4 and ∼18.47 ps for (4TCNm) 2 PbI 4 . In both materials, spatial charge separation across the perovskite−ligand interface mitigates the Bir−Aronov− Pikus (BAP) mechanism. Temperature- and fluence-dependent measurements reveal Elliott−Yafet (EY)-dominated spin relaxation in (4Tm) 2 PbI 4 , consistent with the observation of coherent phonon oscillation, whereas (4TCNm) 2 PbI 4 exhibits D’yakonov−Perel (DP)-dominated spin relaxation, with weaker phonon coupling further suppressing the EY relaxation, enabling spin lifetimes up to ∼126.81 ps at 5 K. Our findings establish a structural design framework for tailoring spin dynamics in 2D perovskites, offering a promising strategy to engineering spin and optoelectronic properties via rational ligand engineering.

Excitons↗
DOE OSTI2024

Protecting backaction-evading measurements from parametric instability

Noiseless measurement of a single quadrature in systems of parametrically coupled oscillators is theoretically possible by pumping at the sum and difference frequencies of the two oscillators, realizing a backaction-evading (BAE) scheme. Although this would hold true in the simplest scenario for a system with pure three-wave mixing, implementations of this scheme are hindered by unwanted higher-order parametric processes that destabilize the system and add noise. We show analytically that detuning the two pumps from the sum and difference frequencies can stabilize the system and fully recover the BAE performance, enabling operation at otherwise inaccessible cooperativities. We also show that the acceleration demonstrated in a weak-signal-detection experiment [Jiang , PRX Quantum 4, 020302 (2023)] was only achievable because of this detuning technique.

Ruddy, E. P.↗
DOE OSTI2023

Lepton–Nucleus Interactions within Microscopic Approaches

This review paper emphasizes the significance of microscopic calculations with quantified theoretical error estimates in studying lepton–nucleus interactions and their implications for electron scattering and accelerator neutrino oscillation measurements. We investigate two approaches: Green’s Function Monte Carlo and the extended factorization scheme, utilizing realistic nuclear target spectral functions. In our study, we include relativistic effects in Green’s Function Monte Carlo and validate the inclusive electron scattering cross section on carbon using available data. We compare the flux-folded cross sections for neutrino-carbon scattering with T2K and MINER$v$ A experiments, noting the substantial impact of relativistic effects in reducing the theoretical curve strength when compared to MINER$v$ A data. Additionally, we demonstrate that quantum Monte Carlo-based spectral functions accurately reproduce the quasi-elastic region in electron scattering data and T2K flux-folded cross sections. By comparing results from Green’s Function Monte Carlo and the spectral function approach, which share a similar initial target state description, we quantify errors associated with approximations in the factorization scheme and the relativistic treatment of kinematics in Green’s Function Monte Carlo.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation

We report the development of a novel diagnostic tool, named wave function overlap tool (WFOT), designed to evaluate the overlap between wave functions computed at single-reference [i.e., time-dependent density functional theory or configuration interaction singles (CIS)] and multireference (i.e., CASSCF/CASPT2) electronic structure levels of theory. It relies on truncating the single- and multireference WFs to CIS-like expansions spanning the same configurational space and maximizing the molecular orbital overlap by means of a unitary transformation. To demonstrate the functionality of the tool, we calculate the transient spectrum of acetylacetone by evaluating excited state absorption signals with multireference quality on top of single-reference on-the-fly dynamics simulations. Semiautomatic spectra generation is facilitated by interfacing the tool with the COBRAMM package, which also allows one to use WFOT with several quantum chemistry codes such as Gaussian, NWChem, and OpenMolcas. Finally, other exciting possibilities for the utilization of the code beyond the simulation of transient absorption spectroscopy are eventually discussed.

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

Hybrid spin Hall nano-oscillators based on ferromagnetic metal/ferrimagnetic insulator heterostructures

Abstract Spin-Hall nano-oscillators (SHNOs) are promising spintronic devices to realize current controlled GHz frequency signals in nanoscale devices for neuromorphic computing and creating Ising systems. However, traditional SHNOs devices based on transition metals have high auto-oscillation threshold currents as well as low quality factors and output powers. Here we demonstrate a new type of hybrid SHNO based on a permalloy (Py) ferromagnetic-metal nanowire and low-damping ferrimagnetic insulator, in the form of epitaxial lithium aluminum ferrite (LAFO) thin films. The superior characteristics of such SHNOs are associated with the excitation of larger spin-precession angles and volumes. We further find that the presence of the ferrimagnetic insulator enhances the auto-oscillation amplitude of spin-wave edge modes, consistent with our micromagnetic modeling. This hybrid SHNO expands spintronic applications, including providing new means of coupling multiple SHNOs for neuromorphic computing and advancing magnonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Statistical significance of the sterile-neutrino hypothesis in the context of reactor and gallium data

We evaluate the statistical significance of the 3+1 sterile-neutrino hypothesis using $v_e$ and $\bar{v}_e$ disappearance data from reactor, solar and gallium radioactive source experiments. Concerning the latter, we investigate the implications of the recent BEST results. For reactor data we focus on relative measurements independent of flux predictions. For the problem at hand, the usual χ 2 -approximation to hypothesis testing based on Wilks’ theorem has been shown in the literature to be inaccurate. We therefore present results based on Monte Carlo simulations, and find that this typically reduces the significance by roughly 1σ with respect to the naïve expectation. We find no significant indication in favor of sterile-neutrino oscillations from reactor data. On the other hand, gallium data (dominated by the BEST result) show more than 5σ of evidence supporting the sterile-neutrino hypothesis, favoring oscillation parameters in agreement with constraints from reactor data. This explanation is, however, in significant tension (~3 σ) with solar neutrino experiments. In order to assess the robustness of the signal for gallium experiments we present a discussion of the impact of cross-section uncertainties on the results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗