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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Quantum Filtering and Analysis of Multiplicities in Eigenvalue Spectra

Fine-grained spectral properties of quantum Hamiltonians, including both eigenvalues and their multiplicities, provide useful information for characterizing many-body quantum systems as well as for understanding phenomena such as topological order. Extracting such information with small additive error is #BQP-complete in the worst case. In this work, we introduce QFAMES (quantum filtering and analysis of multiplicities in eigenvalue spectra), a quantum algorithm that efficiently identifies clusters of closely spaced dominant eigenvalues and determines their multiplicities under physically motivated assumptions, which allows us to bypass worst-case complexity barriers. QFAMES also enables the estimation of observable expectation values within targeted energy clusters, providing a powerful tool for studying quantum phase transitions and other physical properties. We validate the effectiveness of QFAMES through numerical demonstrations, including its applications to characterizing quantum phases in the transverse-field Ising model and estimating the ground-state degeneracy of a topologically ordered phase in the two-dimensional toric code model. We also generalize QFAMES to the setting of mixed initial states. Our approach offers rigorous theoretical guarantees and significant advantages over existing subspace-based quantum spectral analysis methods, particularly in terms of the sample complexity and the ability to resolve degeneracies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Shakeup and shakeoff spectra in the electron capture decay of atomic 7 Be

The most stringent laboratory-based experimental limits on the existence of submegaelectronvolt sterile neutrinos are currently set by decay spectroscopy of radioactive 7 Be embedded into superconducting sensors. The systematic uncertainties are dominated by the modeling of the electron shakeup and shakeoff spectra that are not based on state-of-the-art atomic theory and do not include electron correlations or relativistic effects. We have used the multiconfiguration Dirac-Fock formalism to obtain correlated wave functions ab initio and compute all single and double shake processes in the electron capture decay of atomic 7 Be . The simulations can explain some but not all of the observed spectral features, likely because the wave functions are modified by the Ta sensor material that the 7 Be is embedded into. The new models also show that the 𝐿/𝐾 electron capture ratio of 7 Be in Ta has previously been slightly underestimated revising the previous value of 0.070(7) to a new value of 0.0756(20).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Unified Description of Cuprate Superconductors by Fractionalized Electrons Emerging from Integrated Analyses of Photoemission Spectra and Quasiparticle Interference

Electronic structure of high-temperature superconducting cuprates is studied by analyzing experimental data independently obtained from two complementary spectroscopies: one, quasiparticle interference (QPI) measured by scanning-tunneling microscopy, and the other, angle-resolved photoemission spectroscopy (ARPES). We combine these two sets of data in a unified theoretical analysis. Through explicit calculations of experimentally measurable quantities, we show that a simple two-component fermion model (TCFM) representing electron fractionalization succeeds in reproducing various detailed features of these experimental data: ARPES and QPI data are concomitantly reproduced by the TCFM in full energy and momentum spaces. The measured QPI pattern reveals a signature characteristic of the TCFM, distinct from the conventional single-component prediction, supporting the validity of the electron fractionalization in the cuprates. The integrated analysis also solves the puzzles of ARPES and QPI data that are seemingly inconsistent with each other. The overall success of the TCFM offers a comprehensive understanding of the electronic structure of the cuprates, in particular, the unoccupied side of the spectra, of which momentum-resolved structure has long been unexplored experimentally. We further predict that a characteristic QPI pattern should appear in the unoccupied high-energy part if the fractionalization is at work. We propose that integrated-spectroscopy analyses offer a promising way to explore challenging issues of strongly correlated electron systems.

Sakai, Shiro [Sophia University; RIKEN Center for ↗
DOE OSTI2024

Photoelectron spectra in circularly and elliptically polarized laser pulses

We present results of numerical simulations of the time-dependent Schrödinger equation and theoretical analysis concerning the interaction of a rare gas atom with circularly and elliptically polarized laser pulses. In agreement with recent observation in circularly polarized fields, the photoelectron energy spectra for counterrotating electrons are peaked at lower kinetic energy than those for corotating electrons. We show that this difference can be interpreted as being due to the additional pathways to ionization that are available for the counterrotating electrons only. Furthermore, our results show, in agreement with earlier work, that the offset angle by which the emission of electrons is rotated in an elliptically polarized field increases with each successive above-threshold ionization (ATI) order and is larger for the emission from counterrotating states as compared to that from corotating states. As a result, a simple model based on the interference and relative phase difference between just three continuum states provides remarkable agreement and once again emphasizes the importance of the additional ionization pathways available for the counterrotating electrons.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Tunable Magnetically Induced Transparency Spectra in Magnon-Magnon Coupled Y 3 Fe 5 O 12 / Permalloy Bilayers

Hybrid magnonic systems host a variety of characteristic phenomena such as the magnetically induced transparency (MIT) and Purcell effect, which are considered useful for future coherent quantuminformation processing. In this work, we experimentally demonstrate a tunable MIT effect in the Y 3 Fe 5 O 12 (YIG)/Permalloy(Py) magnon-magnon coupled system via changing the magnetic field orientations. By probing the magneto-optic effects of Py and YIG thin films, we identify clear features of MIT spectra induced by the mode hybridization between the uniform mode of Py and the perpendicular standing spin-wave modes of YIG. By changing the external magnetic field orientations, we observe a tunable coupling strength between the YIG's spin-wave modes and the Py's uniform mode, upon the application of an out-of-plane magnetic field. This observation is theoretically interpreted by a geometrical consideration of the Py and YIG magnetization under the oblique magnetic field even at a constant interfacial exchange coupling. Finally, our findings show high promise for investigating tunable coherent phenomena with hybrid magnonic platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Excitation spectra of quantum matter without quasiparticles. I. Sachdev-Ye-Kitaev models

Here, we study the low-frequency spectra of complex Sachdev-Ye-Kitaev models at general densities. The analysis applies also to SU(M) magnets with random exchange at large M. The spectral densities are computed by numerical analysis of the saddle-point equations on the real frequency ω axis at zero temperature T. The asymptotic low-ω behaviors are found to be in excellent agreement with the scaling dimensions of irrelevant operators which perturb the conformally invariant critical states. Of possible experimental interest is our computation of the universal spin spectral weight of the SU(M) magnets at low ω and T; this includes a contribution from the time reparametrization mode, which is the boundary graviton of the holographic dual. This analysis is extended to a random t-J model in the following paper [M. Tikhanovskaya et al., following paper, Phys. Rev. B 103, 075142 (2021)].

36 MATERIALS SCIENCE↗
DOE OSTI2021

Real-space Green's function approach for x-ray spectra at high temperature

There has been considerable interest in properties of condensed matter at high temperature, including nonequilibrium behavior and extreme conditions up to the warm dense matter regime. Such behavior is encountered, e.g., in experimental time-resolved x-ray absorption spectroscopy in the presence of intense laser fields. In an effort to simulate such behavior, we present an approach for calculations of high-temperature x-ray absorption spectra in arbitrary materials, using a generalization of the real-space Green's function formalism. Here, the method is incorporated as an option in the core-level x-ray spectroscopy code FEFF10. To illustrate the approach, we present calculations for several materials together with comparisons to experiment and with other methods.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Current-induced dynamics and tunable spectra of a magnetic chiral bobber

Chiral bobber (ChB) is an exotic three-dimensional topological texture in chiral magnets. It is composed of a Bloch-point singularity and a skyrmion tube; the incommensurate characteristic length scales of these two components would thus lead to novel dynamics of a ChB. In this work, we report the current-induced motion and the accompanying Hall effect of a ChB. Surprisingly, we find that the Hall angle of a ChB can be tuned in a wide range from -90 ° to positive angles. A further study of spin-wave excitations identified high-frequency resonant modes, which are related to the velocity of ChB and lattice constants. The excited frequency can be two orders of magnitude higher than that of skyrmions. The broad ranges of Hall angles and frequency spectra could boost the development of spintronic devices using topological textures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Cross-correlation spectra in interacting quantum dot systems

Two-color spin-noise spectroscopy of interacting electron spins in singly charged semiconductor quantum dots provides information on the interquantum dot interactions. We investigate the spin cross-correlation function in a quantum dot ensemble employing a modified semiclassical approach. Spin-correlation functions are calculated using a Hamilton quaternion approach that maintains local quantum mechanical properties of the spins. This method takes into account the effects of the nuclear-electric quadrupolar interactions, the randomness of the coupling constants, and the variation of the electron g factor on the spin-noise power spectra. We demonstrate that the quantum dot ensemble can be mapped on an effective two-quantum dot problem and discuss how the characteristic length scale of the interdot interaction modifies the low-frequency cross-correlation spectrum. Here, we argue that details on the interaction strength distribution can be extracted from the cross-correlation spectrum when applying a longitudinal or a transversal external magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Gaps in topological magnon spectra: Intrinsic versus extrinsic effects

Determining and explaining the presence of a gap at a magnon crossing point is a critical step to characterize the topological properties of a material. An inelastic neutron scattering study of a single crystal is a powerful experimental technique to probe the magnetic excitation spectra of topological materials. Here, we show that when the scattering intensity rapidly disperses in the vicinity of a crossing point, such as a Dirac point, the apparent topological gap size is extremely sensitive to experimental conditions including sample mosaic, resolution, and momentum integration range. In this work, we demonstrate these effects using comprehensive neutron scattering measurements of CrCl 3 . Our measurements confirm the gapless nature of the Dirac magnon in CrCl 3 , but also reveal an artificial, i.e., extrinsic, magnon gap unless the momentum integration range is carefully controlled. Our study provides an explanation of the discrepancies between spectroscopic and first-principles estimates of Dirac magnon gap sizes and provides guidelines for accurate measurement of topological magnon gaps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Hund bands in spectra of multiorbital systems

Spectroscopy experiments are routinely used to characterize the behavior of strongly correlated systems. An in-depth understanding of the different spectral features is thus essential. Here, we show that the spectrum of the multiorbital Hubbard model exhibits unique Hund bands that occur at energies given only by the Hund coupling J H , as distinct from the Hubbard satellites following the interaction U. We focus on experimentally relevant single-particle and optical spectra that we calculate for a model related to iron chalcogenide ladders. The calculations are performed via the density-matrix renormalization group and Lanczos methods. Finally, the generality of the implications is verified by considering a generic multiorbital model within dynamical mean-field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

First-Principles Treatment of Vibrational Broadening in X-Ray Excited Valence Band Spectra for n-SrTiO 3 (001)

The valence band maximum (VBM) is an important quantity for semiconductors as it locates the Fermi level relative to the band edge. Accurate measurement of this quantity in near-surface regions of semiconductors by photoemission is a first step toward determining the electronic properties of heterostructures involving these materials. While extrapolating the leading edge of the valence band to the energy axis in photoemission spectra is a widely used way to find the VBM, this method can be ambiguous if the leading edge exhibits multiple slopes. Another way to determine the VBM is to fit the leading edge to an appropriately broadened, cross-section modulated theoretical density of states (DOS). Three kinds of broadening that should be included for maximum accuracy are those due to: (1) finite instrumental resolution, (2) valence hole lifetime, and (3) vibrational excitations. While steps (1) and (2) are straightforward to implement, (3) is more difficult because the appropriate amount of broadening is not known a priori. Here, we demonstrate that explicit inclusion of vibrational broadening using ab initio molecular dynamics facilitates accurate VBM determination for n-SrTiO 3 (001). The total DOS is constructed by summing time-averaged projections at elevated temperature onto s - , p - , and d orbitals for the constituent atoms and modulating with the associated photoemission cross sections. Subsequent convolutions of the total DOS, first with a Gaussian of width equal to the experimental energy resolution and second with a Lorentzian to simulate valence hole lifetime effects, yield line shapes that reproduce the experimental leading edges rather well. The VBM is then given by the energy at which the vibrationally broadened total DOS (prior to the convolutions) goes to zero. The VBMs generated by this method quantitatively agree with those resulting from extrapolating from the middle of the measured leading edge for SrTiO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Charged-particle spectra from μ – capture on Al

Published data on the emission of charged particles following nuclear muon capture are extremely limited. In addition to its interest as a probe of the nuclear response, these data are important for the design of some current searches for lepton flavor violation. This work presents momentum spectra of protons and deuterons following μ- capture in aluminum. It is the first measurement of a muon capture process performed with a tracking spectrometer. A precision of better than 10% over the momentum range of 100–190MeV/c for protons is obtained; for deuterons of 145–250MeV/c the precision is better than 20%. The observed partial yield of protons with emission momenta above 80MeV/c (kinetic energy 3.4MeV) is 0.0322 ± 0.0007(stat) ± 0.0022(syst) per capture, and for deuterons above 130MeV/c (4.5MeV) it is 0.0122 ± 0.0009(stat) ± 0.0006(syst). Extrapolating to total yields gives 0.045 ± 0.001(stat) ± 0.003(syst) ± 0.001(extrapolation) per capture for protons and 0.018 ± 0.001(stat) ± 0.001(syst)± 0.002(extrapolation) for deuterons, which are the most precise measurements of these quantities to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Determination of the 60 Zn level density from neutron evaporation spectra

Nuclear reactions of interest for astrophysics and applications often rely on statistical model calculations for nuclear reaction rates, particularly for nuclei far from β stability. However, statistical model parameters are often poorly constrained, where experimental constraints are particularly sparse for exotic nuclides. For example, our understanding of the breakout from the NiCu cycle in the astrophysical rp-process is currently limited by uncertainties in the statistical properties of the proton-rich nucleus 60 Zn. We have determined the nuclear level density of 60 Zn using neutron evaporation spectra from 58 Ni( 3 He,n) measured at the Edwards Accelerator Laboratory. We compare our results to a number of theoretical predictions, including phenomenological, microscopic, and shell-model-based approaches. Notably, we find the 60 Zn level density is somewhat lower than expected for excitation energies populated in the 59 Cu(p,γ) 60 Zn reaction under rp-process conditions. This includes a level density plateau from roughly 5 to 6 MeV excitation energy, which is counter to the usual expectation of exponential growth and all theoretical predictions that we explore. Here, a determination of the spin distribution at the relevant excitation energies in 60 Zn is needed to confirm that the Hauser-Feshbach formalism is appropriate for the 59 Cu(p,γ) 60 Zn reaction rate at x-ray burst temperatures

59 ≤ A ≤ 89↗
DOE OSTI2023

Deconvoluting experimental decay energy spectra: The O 26 case

In nuclear reaction experiments, the measured decay energy spectra can give insights into the shell structure of decaying systems. However, extracting the underlying physics from the measurements is challenging due to detector resolution and acceptance effects. The Richardson-Lucy (RL) algorithm, a deblurring method that is commonly used in optics and has proven to be a successful technique for restoring images, was applied to our experimental nuclear physics data. The only inputs to the method are the observed energy spectrum and the detector's response matrix also known as the transfer matrix. We demonstrate that the technique can help access information about the shell structure of particle-unbound systems from the measured decay energy spectrum that is not immediately accessible via traditional approaches such as χ-square fitting. For a similar purpose, we developed a machine learning model that uses a deep neural network (DNN) classifier to identify resonance states from the measured decay energy spectrum. We tested the performance of both methods on simulated data and experimental measurements. Then, we applied both algorithms to the decay energy spectrum of 26 O → 24 O + n + n measured via invariant mass spectroscopy. Here, the resonance states restored using the RL algorithm to deblur the measured decay energy spectrum agree with those found by the DNN classifier. Both deblurring and DNN approaches suggest that the raw decay energy spectrum of 26 O exhibits three peaks at approximately 0.15 MeV, 1.50 MeV, and 5.00 MeV, with half-widths of 0.29 MeV, 0.80 MeV, and 1.85 MeV, respectively.

Spectrometers & spectroscopic techniques↗
DOE OSTI2024

Global constraint on the jet transport coefficient from single-hadron, dihadron, and γ -hadron spectra in high-energy heavy-ion collisions

Modifications of large transverse momentum single-hadron, dihadron, and γ -hadron spectra in relativistic heavy-ion collisions are direct consequences of parton-medium interactions in the quark-gluon plasma (QGP). The interaction strength and underlying dynamics can be quantified by the jet transport coefficient q ̂ . We carry out the first global constraint on q ̂ using a next-to-leading order pQCD parton model with higher-twist parton energy loss and combining world experimental data on single-hadron, dihadron, and γ -hadron suppression at both RHIC and LHC energies with a wide range of centralities. The global Bayesian analysis using the information field (IF) priors provides the most stringent constraint on q ̂ ( T ) . We demonstrate in particular the progressive constraining power of the IF Bayesian analysis on the strong temperature dependence of q ̂ using data from different centralities and colliding energies. We also discuss the advantage of using both inclusive and correlation observables with different geometric biases. As a verification, the obtained q ̂ ( T ) is shown to describe data on single-hadron anisotropy at high transverse momentum well. Predictions for future jet quenching measurements in oxygen-oxygen collisions are also provided. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Accurate estimation of angular power spectra for maps with correlated masks

A common procedure when analyzing maps of the cosmic microwave background (CMB) or other cosmological signals is the need to remove ("mask") regions of the maps that are heavily contaminated, e.g., by non-cosmological foreground emission. After applying such a mask, one must account for its effect when inferring statistical properties of interest, such as the angular power spectrum of the field in the original map. A widely used approach to correct for such mask-induced effects was presented by Hivon et al. (2002), now widely known as the "MASTER" formalism. However, it is often the case that the map and mask are correlated in some way, such as point source masks used in CMB analyses, which have nonzero correlation with CMB secondary anisotropy fields and other mm-wave sky signals. In such situations, the MASTER approach gives biased results, as it assumes that the unmasked map and mask have zero correlation. While such effects have been discussed before with regard to specific physical models, here we derive a completely general formalism for any case where the map and mask are correlated. We show that our result ("reMASTERed") reconstructs ensemble-averaged angular power spectra to effectively exact precision, with significant improvements over traditional estimators for cases where the map and mask are correlated. An important consequence of our result is that for maps with correlated masks, it is no longer possible to invert a simple equation to obtain the true power spectrum from the observed (masked) power spectrum. Instead, our result necessitates the use of forward modeling from theory space into the observable domain of the masked power spectrum. We publicly release our software implementation of these results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

X-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula

Here, we study ab initio approaches for calculating x-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula that expresses the inelastic contribution in terms of the dielectric function. We study the electronic dynamic structure factor computed from the Mermin dielectric function using an ab initio electron-ion collision frequency in comparison to computations using a linear-response time-dependent density functional theory (LR-TDDFT) framework for hydrogen and beryllium and investigate the dispersion of free-free and bound-free contributions to the scattering signal. A separate treatment of these contributions, where only the free-free part follows the Mermin dispersion, shows good agreement with LR-TDDFT results for ambient-density beryllium, but breaks down for highly compressed matter where the bound states become pressure ionized. LR-TDDFT is used to reanalyze x-ray Thomson scattering experiments on beryllium demonstrating strong deviations from the plasma conditions inferred with traditional analytic models at small scattering angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗