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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamical Anyon Generation in Kitaev Honeycomb Non-Abelian Spin Liquids

Relativistic Mott insulators known as “Kitaev materials” potentially realize spin liquids hosting non-Abelian anyons. Motivated by fault-tolerant quantum-computing applications in this setting, we introduce a dynamical anyon-generation protocol that exploits universal edge physics. The setup features holes in the spin liquid, which define energetically cheap locations for non-Abelian anyons, connected by a narrow bridge that can be tuned between spin liquid and topologically trivial phases. We show that modulating the bridge from trivial to spin liquid over intermediate time scales—quantified by analytics and extensive simulations—deposits non-Abelian anyons into the holes with O(1) probability. The required bridge manipulations can be implemented by integrating the Kitaev material into magnetic tunnel junction arrays that engender locally tunable exchange fields. Combined with existing readout strategies, our protocol reveals a path to topological qubit experiments in Kitaev materials at zero applied magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Fermionic Isometric Tensor Network States in Two Dimensions

We generalize isometric tensor network states to fermionic systems, paving the way for efficient adaptations of 1D tensor network algorithms to 2D fermionic systems. As the first application of this formalism, we developed and benchmarked a time-evolving block-decimation (TEBD) algorithm for real-time and imaginary-time evolution. The imaginary-time evolution produces ground-state energies for gapped systems, systems with a Dirac point, and systems with gapless edge modes to good accuracy. Here, the real-time TEBD captures the scattering of two fermions and the chiral edge dynamics on the boundary of a Chern insulator.

2-dimensional systems↗
DOE OSTI2022

Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI , is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.

3D pair distribution functions↗
DOE OSTI2013

Investigation into the growth and structure of thin-film solid solutions of iron-based superconductors in the FeSe{sub 0.92}-FeSe{sub 0.5}Te{sub 0.5} system

Thin films of FeSe{sub 0.92} and FeSe{sub 0.5}Te{sub 0.5} iron chalcogenide superconductors and solid solutions containing these components in different ratios have been grown on the surface of LaAlO{sub 3} (10<##> } } 1 }&#x00AF;<!-- ?? --> $ /bar 1 $ 1-bar </##>2) crystals by pulsed laser deposition. Films of solid solutions have been deposited by simultaneous laser ablation from two targets of the FeSe{sub 0.92} and FeSe{sub 0.5}Te{sub 0.5} stoichiometric compositions onto one substrate. An X-ray diffraction study of the film structure shows that the films grown are epitaxial and their lattice parameters regularly vary with the ratio of the deposited components, which was controllably varied by changing the ablation intensities from the targets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Infinite single-particle bandwidth of a Mott–Hubbard insulator

The conventional viewpoint of the strongly correlated electron metal-insulator transition is that a single band splits into two upper and lower Hubbard bands at the transition. Much work has investigated whether this transition is continuous or discontinuous. Furthermore we focus on another aspect and ask the question of whether there are additional upper and lower Hubbard bands, which stretch all the way out to infinity — leading to an infinite single-particle bandwidth (or spectral range) for the Mott insulator. While we are not able to provide a rigorous proof of this result, we use exact diagonalization studies on small clusters to motivate the existence of these additional bands, and we discuss some different methods that might be utilized to provide such a proof. Even though the extra upper and lower Hubbard bands have very low total spectral weight, those states are expected to have extremely long lifetimes, leading to a nontrivial contribution to the transport density of states for dc transport and modifying the high temperature limit for the electrical resistivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Li1−xNiO2 Many-body DMC Benchmark Dataset

The dataset contains all numerical data generated in support of the manuscript “Many‑body Benchmark of Electronic Charge and Spin Densities for Li1–xNiO2​” (Journal of Chemical Theory and Computation, DOI: 10.1021/acs.jctc.5c02097, URL: https://pubs.acs.org/doi/10.1021/acs.jctc.5c02097). The materials included in this repository are: 1. Data files used to produce all figures and tables in the main manuscript and supporting information. 2. Benchmark density‑functional theory (DFT) datasets used for the charge‑ and spin‑density analyses. 3. Reference many‑body diffusion Monte Carlo (DMC) calculations and associated input/output files.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A time-dependent momentum-resolved scattering approach to core-level spectroscopies

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Theory of unconventional superconductivity in the 1/4-filled band correlated-electron super-conductors [and previous titles]. Final Report, DOE-BES grant DE-FG02-06ER46315

Determination of the mechanism of correlated-electron superconductivity (SC) has turned out to be the hardest problem in condensed matter physics. After nearly three decades of intense investigation of the high-T c cuprates it now appears that one key idea, viz., - weak doping of Mott-Hubbard semiconductors leads to SC -may not be correct, or is at least incomplete. This conclusion is arrived from recent experiments that have clearly indicated that the pseudogap state in the cuprates, separated by a thermodynamic phase transition from the undoped antiferromagnet, is significantly more complicated than thought before. Buried inside it there is a distinct charge-ordered (CO) state. Understanding the complete set of competing and coexisting phases in the pseudogap state is thus a formidable challenge. It follows that research on other correlated superconductors, which have also been known for a long time, may be able to give much needed fresh insight. It is with this motivation in this project we pursued theoretical research to understand the unconventional SC that is found in an apparently completely separate family of materials, the organic charge-transfer solids (CTS). A unique feature of the CTS is that SC there universally occurs at the carrier concentration $\rho$ of 0.5 per organic molecule, rather than under carrier doping as in the cuprates. Our work in this project focused on the correlated physics of the organic CTS as well as other inorganic materials with the same carrier density, $\rho$=0.5. This project resulted in several theoretical advances in understanding these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

On quasiperiodic variations of pulsars' periods - An alternative to the planetary interpretation of PSR1257+12

The quasi-periodic timing residuals of PSR1257+12 are considered to be a result of two large-scale internal motions of the neutron star: core-crust relative motion and precession. The model requires that the superfluid core of a neutron star is not pinned to the solid crust. A very good fit to the observations is obtained for the set of parameters that corresponds to a nearly orthogonal rotator, and the period of the core-crust relative rotation that is nearly twice the period of precession.

Dolginov, A. Z.↗
DOE OSTI2010

Tunneling dynamics of superfluid Fermi gases in an accelerating optical lattice

The nonlinear Landau-Zener tunneling and the nonlinear Rabi oscillations of superfluid Fermi gases between Bloch bands in an accelerating optical lattice are discussed. Within the hydrodynamic theory and a two-level model, the tunneling probability of superfluid Fermi gases between Bloch bands is obtained. We find that, as the system crosses from the Bose-Einstein condensation (BEC) side to the BCS side, the tunneling rate is closely related to the particle density: when the density is smaller (larger) than a critical value, the tunneling rate at unitarity is larger (smaller) than that in the BEC limit. This is well explained in terms of an effective interaction and an effective potential. Furthermore, the nonlinear Rabi oscillations of superfluid Fermi gases between the bands are discussed by imposing a periodic modulation on the level bias and the strength of the lattice. Analytical expressions of the critical density for suppressing or enhancing the Rabi oscillations are obtained. It is shown that, as the system crosses from the BEC side to the BCS side, the critical density strongly depends on the modulation parameters (i.e., the modulation amplitude and the modulation frequency). For a fixed density, a high-frequency or low-frequency modulation can suppress or enhance the Rabi oscillations both at unitarity and in the BEC limit. For an intermediate modulation frequency, the Rabi oscillations are chaotic along the entire BEC-BCS crossover, especially, on the BCS side. Interestingly, we find that the modulation of the lattice strength only with an intermediate modulation frequency has significant effect on the Rabi oscillations both in the BEC limit and at unitarity; that is, an intermediate-frequency modulation can enhance the Rabi oscillations, especially on the BCS side.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Experimental and theoretical evidence of universality in superfluid vortex reconnections

The minimum separation between reconnecting vortices in fluids and superfluids obeys a universal scaling law with respect to time. The prereconnection and the postreconnection prefactors of this scaling law are different, a property related to irreversibility and to energy transfer and dissipation mechanisms. In the present work, we determine the temperature dependence of these prefactors in superfluid helium from experiments and a numeric model which fully accounts for the coupled dynamics of the superfluid vortex lines and the thermal normal fluid component. At all temperatures, we observe a pre- and postreconnection asymmetry similar to that observed in other superfluids and in classical viscous fluids, indicating that vortex reconnections display a universal behavior independent of the small-scale regularizing dynamics. We also numerically show that each vortex reconnection event represents a sudden injection of energy in the normal fluid. Finally we argue that in a turbulent flow, these punctuated energy injections can sustain the normal fluid in a perturbed state, provided that the density of superfluid vortices is large enough.

Reconnections↗
DOE OSTI2016

What is a particle-conserving Topological Superfluid? The fate of Majorana modes beyond mean-field theory

We investigate Majorana modes of number-conserving fermionic superfluids from both basic physics principles, and concrete models perspectives. After reviewing a criterion for establishing topological superfluidity in interacting systems, based on many-body fermionic parity switches, we reveal the emergence of zero-energy modes anticommuting with fermionic parity. Those many-body Majorana modes are constructed as coherent superpositions of states with different number of fermions. While realization of Majorana modes beyond mean field is plausible, we show that the challenge to quantum-control them is compounded by particle-conservation, and more realistic protocols will have to balance engineering needs with astringent constraints coming from superselection rules. Majorana modes in number-conserving systems are the result of a peculiar interplay between quantum statistics, fermionic parity, and an unusual form of spontaneous symmetry breaking. We test these ideas on the Richardson–Gaudin–Kitaev chain, a number-conserving model solvable by way of the algebraic Bethe ansatz, and equivalent in mean field to a long-range Kitaev chain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Quantum field theory for the three-body constrained lattice Bose gas. II. Application to the many-body problem

We analyze the ground-state phase diagram of attractive lattice bosons, which are stabilized by a three-body onsite hardcore constraint. A salient feature of this model is an Ising-type transition from a conventional atomic superfluid to a dimer superfluid with vanishing atomic condensate. The study builds on an exact mapping of the constrained model to a theory of coupled bosons with polynomial interactions, proposed in a related paper [S. Diehl, M. Baranov, A. Daley, and P. Zoller, Phys. Rev. B 82, 064509 (2010).]. In this framework, we focus by analytical means on aspects of the phase diagram which are intimately connected to interactions, and are thus not accessible in a mean-field plus spin-wave approach. First, we determine shifts in the mean-field phase border, which are most pronounced in the low-density regime. Second, the investigation of the strong coupling limit reveals the existence of a 'continuous supersolid', which emerges as a consequence of enhanced symmetries in this regime. We discuss its experimental signatures. Third, we show that the Ising-type phase transition, driven first order via the competition of long-wavelength modes at generic fillings, terminates into a true Ising quantum critical point in the vicinity of half filling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Gravity derivation of the Tisza-Landau model in AdS/CFT

We derive the fully backreacted bulk solution dual to a boundary superfluid with finite supercurrent density in AdS/CFT. The nonlinear boundary hydrodynamical description of this solution is shown to be governed by a relativistic version of the Tisza-Landau two-fluid model to nondissipative order. As previously noted, the phase transition can be both first order and second order, but in the strongly backreacted regime at low charge q we find that the transition remains second order for all allowed fractions of superfluid density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗