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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Rare Earth Engineering in R Mn 6 Sn 6 ( R = Gd–Tm, Lu) Topological Kagome Magnets

Exploration of the topological quantum materials with electron correlation is at the frontier of physics, as the strong interaction may give rise to new topological phases and transitions. Here we report that a family of kagome magnets RMn 6 Sn 6 manifest the quantum transport properties analogical to those in the quantum-limit Chern magnet TbMn 6 Sn 6 . The topological transport in the family, including quantum oscillations with nontrivial Berry phase and large anomalous Hall effect arising from Berry curvature field, points to the existence of Chern gapped Dirac fermions. Furthermore, our observation demonstrates a close relationship between rare-earth magnetism and topological electron structure, indicating the rare-earth elements can effectively engineer the Chern quantum phase in kagome magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Exciton engineering of 2D Ruddlesden–Popper perovskites by synergistically tuning the intra and interlayer structures

Designing two-dimensional halide perovskites for high-performance optoelectronic applications requires deep understanding of the structure-property relationship that governs their excitonic behaviors. However, a design framework that considers both intra and interlayer structures modified by the A-site and spacer cations, respectively, has not been developed. Here, we use pressure to synergistically tune the intra and interlayer structures and uncover the structural modulations that result in improved optoelectronic performance. Under applied pressure, (BA) 2 (GA)Pb 2 I 7 exhibits a 72-fold boost of photoluminescence and 10-fold increase of photoconductivity. Based on the observed structural change, we introduce a structural descriptor χ that describes both the intra and interlayer characteristics and establish a general quantitative relationship between χ and photoluminescence quantum yield: smaller χ correlates with minimized trapped excitons and more efficient emission from free excitons. Building on this principle, we design a perovskite (CMA) 2 (FA)Pb 2 I 7 that exhibits a small χ and an impressive photoluminescence quantum yield of 59.3%.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Large intrinsic inductance in strongly correlated GaAs two-dimensional holes in the integer quantum hall regime

Quantum Hall measurements are performed for a two-dimensional hole system (2DHS) confined to a 20 nm quantum well in 〈100〉 GaAs. Quantum oscillations reveal a density of 4 - 5×10{sup 10} cm{sup −2} with mobility μ = 1 × 10{sup 6} cm{sup 2}/V s. For temperatures less than ∼350 mK, anomalous insulating peaks are observed between integer fillings 1-2, 2-3, and 3-4. A large out-of-phase signal appears at these peaks, which indicates a substantial inductance inherent to the charge carriers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Persistent Correlation between Superconductivity and Antiferromagnetic Fluctuations near a Nematic Quantum Critical Point in FeSe 1-x S x

Here, we present 77 Se-NMR measurements on FeSe 1-x S x samples with sulfur content x = 0 %, 9%, 15%, and 29 %. Twinned nematic domains are observed in the NMR spectrum for all samples except x = 29 % . The NMR spin-lattice relaxation rate shows that antiferromagnetic (AFM) fluctuations are initially enhanced between x = 0 % and x = 9 % , but are strongly suppressed for higher x values. The observed behavior of the AFM fluctuations parallels the superconducting transition temperature T c in these materials, providing strong evidence for the primary importance of AFM fluctuations for superconductivity, despite the presence of nematic quantum criticality in the FeSe 1-x S x system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

TETRIS-ADAPT-VQE: An adaptive algorithm that yields shallower, denser circuit Ansätze

Adaptive quantum variational algorithms are particularly promising for simulating strongly correlated systems on near-term quantum hardware, but they are not yet viable due, in large part, to the severe coherence time limitations on current devices. In this paper, we introduce an algorithm called TETRIS-ADAPT-VQE (tiling efficient trial circuits with rotations implemented simultaneously adaptive derivative-assembled problem-tailored variational quantum eigensolver), which iteratively builds up variational a few operators at a time in a way dictated by the problem being simulated. This algorithm is a modified version of the ADAPT-VQE algorithm, in which the one-operator-at-a-time rule is lifted to allow for the addition of multiple operators with disjoint supports in each iteration. TETRIS-ADAPT-VQE results in denser but significantly shallower circuits, without increasing the number of controlled- gates or variational parameters. Its advantage over the original algorithm in terms of circuit depths increases with the system size. Moreover, the expensive step of measuring the energy gradient with respect to each candidate unitary at each iteration is performed only a fraction of the time compared with ADAPT-VQE. These improvements bring us closer to the goal of demonstrating a practical quantum advantage on quantum hardware. Published by the American Physical Society 2024

Anastasiou, Panagiotis G. (ORCID:0000000256601791)↗
NASA NTRS1993

Geometric aspects of uncertainty and correlation

The fact that the metric induced on the quantum evolution submanifold of the protective Hilbert space describes the uncertainties and correlations of the operators generating the quantum-state evolution and exhibits the inherently-quantized geometry is discussed.

Abe, Sumiyoshi↗
DOE OSTI2026

Learning the generating functional for variance reduction in lattice QCD

The generating functional in quantum field theory provides the natural framework for constructing correlation functions as derivatives with respect to source operators. We present a methodology that leverages machine-learned normalizing flows to reduce the variance of arbitrary $N$-point correlation functions of bosonic operators in lattice gauge field theory calculations by encoding a representation of the generating functional. We show that it is possible to systematically approach noiseless estimators of correlation functions in this framework. We demonstrate this methodology with applications to calculations of glueball correlation functions and Wilson loops in Quantum Chromodynamics and Yang-Mills theory. The results show up to three orders of magnitude variance reduction.

Abbott, Ryan [Columbia U.] (ORCID:0000000258778005↗
DOE OSTI2015

One-dimensional pion, kaon, and proton femtoscopy in Pb-Pb collisions at s NN = 2.76 TeV

The size of the particle emission region in high-energy collisions can be deduced using the femtoscopic correlations of particle pairs at low relative momentum. Such correlations arise due to quantum statistics and Coulomb and strong final state interactions. In this paper, results are presented from femtoscopic analyses of π ± π ± , K ± K ± , K$0\atop{S}$K$0\atop{S}$, pp , and $\overline{p}$ $\overline{p}$ correlations from Pb-Pb collisions at s NN = 2.76 TeV by the ALICE experiment at the LHC. One-dimensional radii of the system are extracted from correlation functions in terms of the invariant momentum difference of the pair. The comparison of the measured radii with the predictions from a hydrokinetic model is discussed. The pion and kaon source radii display a monotonic decrease with increasing average pair transverse mass m T which is consistent with hydrodynamic model predictions for central collisions. Lastly, the kaon and proton source sizes can be reasonably described by approximate m T scaling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Beyond Generalized Eigenvalues

Two analysis techniques, the generalized eigenvalue method (GEM) or Prony's method (PM), are commonly used to analyze statistical estimates of correlation functions produced in lattice quantum field theory calculations. GEM takes full advantage of the matrix structure of correlation functions but only considers individual pairs of time separations when much more data exists. PM can be applied to many time separations and many individual matrix elements simultaneously but does not fully exploit the matrix structure of the correlation function. We combine both these methods into a single framework based on matrix polynomials which we call block Prony method (BPM).

Fleming, George T.↗
DOE OSTI2015

The MaxEnt extension of a quantum Gibbs family, convex geometry and geodesics

We discuss methods to analyze a quantum Gibbs family in the ultra-cold regime where the norm closure of the Gibbs family fails due to discontinuities of the maximum-entropy inference. The current discussion of maximum-entropy inference and irreducible correlation in the area of quantum phase transitions is a major motivation for this research. We extend a representation of the irreducible correlation from finite temperatures to absolute zero.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Electronic and optical properties of single excitons and biexcitons in type-II quantum dot nanocrystals

In this study, a detailed investigation of the electronic and optical properties (i.e., binding energies, absorption wavelength, overlap of the electron-hole wave functions, recombination oscillator strength, etc.) of an exciton and a biexciton in CdTe/CdSe core/shell type-II quantum dot heterostructures has been carried out in the frame of the single band effective mass approximation. In order to determine the electronic properties, we have self-consistently solved the Poisson-Schrödinger equations in the Hartree approximation. We have considered all probable Coulomb interaction effects on both energy levels and also on the corresponding wave functions for both single exciton and biexciton. In addition, we have taken into account the quantum mechanical exchange-correlation effects in the local density approximation between same kinds of particles for biexciton. Also, we have examined the effect of the ligands and dielectric mismatch on the electronic and optical properties. We have used a different approximation proposed by Sahin and Koc [Appl. Phys. Lett. 102, 183103 (2013)] for the recombination oscillator strength of the biexciton for bound and unbound cases. The results obtained have been presented comparatively as a function of the shell thicknesses and probable physical reasons in behind of the results have been discussed in a detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Beyond Generalized Eigenvalues in Lattice Quantum Field Theory

Two analysis techniques, the generalized eigenvalue method (GEM) or Prony's (or related) method (PM), are commonly used to analyze statistical estimates of correlation functions produced in lattice quantum field theory calculations. GEM takes full advantage of the matrix structure of correlation functions but only considers individual pairs of time separations when much more data exists. PM can be applied to many time separations and many individual matrix elements simultaneously but does not fully exploit the matrix structure of the correlation function. We combine both these methods into a single framework based on matrix polynomials. As these algebraic methods are well known for producing extensive spectral information about statistically-noisy data, the method should be paired with some information criteria, like the recently proposed Bayesean model averaging.

Fleming, George T.↗
DOE OSTI2019

Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga-Kr, In-Xe, and Tl-Rn

A relativistic coupled-cluster version of the Feller-Peterson-Dixon (FPD) composite method was previously used to accurately calculate the first ionization potentials (IP) and electron affinities (EAs) of the post-d, p-block elements Ga–Rn. Complete basis set (CBS) extrapolations including outer-core correlation at the CCSD(T) level of theory were combined with contributions from higher order electron correlation up to CCSDTQ, quantum electrodynamic effects (Lamb shift), and spin-orbit (SO) coupling including the Gaunt contribution. Several methods for including SO were investigated, in which all involved the four-component (4c) Dirac-Coulomb (DC) Hamiltonian. Here, the treatment of SO coupling was the contribution that limited the final accuracy of the present results. In the cases where 4c-DC-CCSD(T) could be reliably used for the SO contributions, the final composite IPs and EAs agreed with the available experimental values to within an unsigned average error of just 0.16 and 0.20 kcal/mol, respectively. In all cases the final IPs and EAs were within 1 kcal/mol of the available experimental values, except for the EAs of the group 13 elements (Ga, In, Tl), where the currently accepted experimental values appear to be too large by as much as 4 kcal/mol. The values predicted in this work, which have estimated uncertainties of ±0.5 kcal/mol, are 5.25 (Ga), 7.69 (In), and 7.39 (Tl) kcal/mol. For the EAs of Po and At, which do not have experimental values, the current calculations predict values of 34.2 and 55.8 kcal/mol with estimated uncertainties of ±0.6 and ±0.3 kcal/mol, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Optimum phase space probabilities from quantum tomography

We determine a positive normalised phase space probability distribution P with minimum mean square fractional deviation from the Wigner distribution W. The minimum deviation, an invariant under phase space rotations, is a quantitative measure of the quantumness of the state. The positive distribution closest to W will be useful in quantum mechanics and in time frequency analysis. The position-momentum correlations given by the distribution can be tested experimentally in quantum optics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Semi-device-independent random-number expansion without entanglement

By testing the classical correlation violation between two systems, true random numbers can be generated and certified without applying classical statistical method. In this work, we propose a true random-number expansion protocol without entanglement, where the randomness can be guaranteed only by the two-dimensional quantum witness violation. Furthermore, we only assume that the dimensionality of the system used in the protocol has a tight bound, and the whole protocol can be regarded as a semi-device-independent black-box scenario. Compared with the device-independent random-number expansion protocol based on entanglement, our protocol is much easier to implement and test.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Synchronous detection of cosmic rays and correlated errors in superconducting qubit arrays

Quantum information processing at scale will require sufficiently stable and long-lived qubits, likely enabled by error-correction codes. Several recent superconducting-qubit experiments, however, reported observing intermittent spatiotemporally correlated errors that would be problematic for conventional codes, with ionizing radiation being a likely cause. Here, we directly measured the cosmic-ray contribution to spatiotemporally correlated qubit errors. We accomplished this by synchronously monitoring cosmic-ray detectors and qubit energy-relaxation dynamics of 10 transmon qubits distributed across a 5 × 5 × 0.35 mm 3 silicon chip. Cosmic rays caused correlated errors at a rate of $1/\left(592\begin{array}{c}+48\\ -41\end{array}\,{\rm{s}}\right)$, accounting for 17.1 ± 1.3% of all such events. Our qubits responded to essentially all of the cosmic rays and their secondary particles incident on the chip, consistent with the independently measured arrival flux. Moreover, we observed that the landscape of the superconducting gap in proximity to the Josephson junctions dramatically impacts the qubit response to cosmic rays. Given the practical difficulties associated with shielding cosmic rays, our results indicate the importance of radiation hardening—for example, superconducting gap engineering—to the realization of robust quantum error correction.

Science & Technology - Other Topics↗
DOE OSTI2011

Percolation of secret correlations in a network

In this work, we explore the analogy between entanglement and secret classical correlations in the context of large networks--more precisely, the question of percolation of secret correlations in a network. It is known that entanglement percolation in quantum networks can display a highly nontrivial behavior depending on the topology of the network and on the presence of entanglement between the nodes. Here we show that this behavior, thought to be of a genuine quantum nature, also occurs in a classical context.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗