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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efimov-like states and quantum funneling effects on synthetic hyperbolic surfaces

Engineering lattice models with tailored inter-site tunnelings and onsite energies could synthesize essentially arbitrary Riemannian surfaces with highly tunable local curvatures. Here, we point out that discrete synthetic Poincaré half-planes and Poincaré disks, which are created by lattices in flat planes, support infinitely degenerate eigenstates for any nonzero eigenenergies. Such Efimov-like states exhibit a discrete scaling symmetry and imply an unprecedented apparatus for studying quantum anomaly using hyperbolic surfaces. Furthermore, all eigenstates are exponentially localized in the hyperbolic coordinates, signifying the first example of quantum funneling effects in Hermitian systems. As such, any initial wave packet travels towards the edge of the Poincaré half-plane or its equivalent on the Poincaré disk, delivering an efficient scheme to harvest light and atoms in two dimensions. Furthermore, our findings unfold the intriguing properties of hyperbolic spaces and suggest that Efimov states may be regarded as a projection from a curved space with an extra dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Precise determination of the $B^0_S - \bar {B}^0_S$ oscillation frequency

Mesons comprising a beauty quark and strange quark can oscillate between particle ($B^0_s$) and antiparticle ($\bar{B}^0_s$) flavour eigenstates, with a frequency given by the mass difference between heavy and light mass eigenstates, Δm s . Here we present a measurement of Δm s using $B^0_s$ → $D^–_sπ^+$ decays produced in proton–proton collisions collected with the LHCb detector at the Large Hadron Collider. The oscillation frequency is found to be Δm s = 17.7683 ± 0.0051 ± 0.0032 ps –1 , where the first uncertainty is statistical and the second is systematic. This measurement improves on the current Δm s precision by a factor of two. We combine this result with previous LHCb measurements to determine Δm s = 17.7656 ± 0.0057 ps –1 , which is the legacy measurement of the original LHCb detector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Anomalous localization in a kicked quasicrystal

Abstract Quantum transport can distinguish between dynamical phases of matter. For instance, ballistic propagation characterizes the absence of disorder, whereas in many-body localized phases, particles do not propagate for exponentially long times. Additional possibilities include states of matter exhibiting anomalous transport in which particles propagate with a non-trivial exponent. Here we report the experimental observation of anomalous transport across a broad range of the phase diagram of a kicked quasicrystal. The Hamiltonian of our system has been predicted to exhibit a rich phase diagram, including not only fully localized and fully delocalized phases but also an extended region comprising a nested pattern of localized, delocalized and multifractal states, which gives rise to anomalous transport. Our cold-atom realization is enabled by new Floquet engineering techniques, which expand the accessible phase diagram by five orders of magnitude. Mapping transport properties throughout the phase diagram, we observe disorder-driven re-entrant delocalization and sub-ballistic transport, and we present a theoretical explanation of these phenomena based on eigenstate multifractality.

Physics↗
DOE OSTI2020

Quantum scars of bosons with correlated hopping

Abstract Recent experiments on Rydberg atom arrays have found evidence of anomalously slow thermalization and persistent density oscillations, which have been interpreted as a many-body analog of the phenomenon of quantum scars. Periodic dynamics and atypical scarred eigenstates originate from a “hard” kinetic constraint: the neighboring Rydberg atoms cannot be simultaneously excited. Here we propose a realization of quantum many-body scars in a 1D bosonic lattice model with a “soft” constraint in the form of density-assisted hopping. We discuss the relation of this model to the standard Bose-Hubbard model and possible experimental realizations using ultracold atoms. We find that this model exhibits similar phenomenology to the Rydberg atom chain, including weakly entangled eigenstates at high energy densities and the presence of a large number of exact zero energy states, with distinct algebraic structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

We aim to improve upon the variational Monte Carlo (VMC) approach for excitations replacing the Jastrow factor by an auxiliary bosonic (AB) ground state and multiplying it by a fermionic component factor. The instantaneous change in imaginary time of an arbitrary excitation in the original interacting fermionic system is obtained by measuring observables via the ground-state distribution of walkers of an AB system that is subject to an auxiliary effective potential. The effective potential is used to (i) drive the AB system’s ground-state configuration space toward the configuration space of the excitations of the original fermionic system and (ii) subtract from a diffusion Monte Carlo (DMC) calculation contributions that can be included in conventional approximations, such as mean-field and configuration interaction (CI) methods. In this novel approach, the AB ground state is treated statistically in DMC, whereas the fermionic component of the original system is expanded in a basis. The excitation energies of the fermionic eigenstates are obtained by sampling a fermion–boson coupling term on the AB ground state. We show that this approach can take advantage of and correct for approximate eigenstates obtained via mean-field calculations or truncated interactions. We demonstrate that the AB ground-state factor incorporates the correlations missed by standard Jastrow factors, further reducing basis truncation errors. Relevant parts of the theory have been tested in soluble model systems and exhibit excellent agreement with exact analytical data and CI and VMC approaches. In particular, for limited basis set expansions and sufficient statistics, AB approaches outperform CI and VMC in terms of basis size for the same systems. The implementation of this method in current codes, despite being demanding, will be facilitated by reusing procedures already developed for calculating ground-state properties with DMC and excitations with VMC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories

Significance The ground state of a quantum mechanical system is the lowest-energy eigenstate of the Hamiltonian. In isolation, it persists unchanged forever, with symmetries dictated by those of the Hamiltonian. But near-eigenstates of broken symmetry can persist for long times, even on the scale of human measurement. The appearance of broken symmetries of the electron density or spin density in a density functional calculation can reveal strong correlations among the electrons that are present in a symmetry-unbroken wavefunction. Symmetry breaking can arise when a wave-like fluctuation drops to zero frequency. The presented examples are the stretched hydrogen molecule, antiferromagnetism in solids, and the static charge-density wave in a low-density jellium, which is shown quantitatively to be a zero-frequency plasma wave.

42 ENGINEERING↗
DOE OSTI2022

Surrogate models for plasma displacement and current in 3D perturbed magnetohydrodynamic equilibria in tokamaks

Abstract A numerical database of over one thousand perturbed three-dimensional (3D) equilibria has been generated, constructed based on the MARS-F (Liu et al 2000 Phys. Plasmas 7 3681) computed plasma response to the externally applied 3D field sources in multiple tokamak devices. Perturbed 3D equilibria with the n = 1–4 ( n is the toroidal mode number) toroidal periodicity are computed. Surrogate models are created for the computed perturbed 3D equilibrium utilizing model order reduction (MOR) techniques. In particular, retaining the first few eigenstates from the singular value decomposition (SVD) of the data is found to produce reasonably accurate MOR-representations for the key perturbed quantities, such as the perturbed parallel plasma current density and the plasma radial displacement. SVD also helps to reveal the core versus edge plasma response to the applied 3D field. For the database covering the conventional aspect ratio devices, about 95% of data can be represented by the truncated SVD-series with inclusion of only the first five eigenstates, achieving a relative error (RE) below 20%. The MOR-data is further utilized to train neural networks (NNs) to enable fast reconstruction of perturbed 3D equilibria, based on the two-dimensional equilibrium input and the 3D source field. The best NN-training is achieved for the MOR-data obtained with a global SVD approach, where the full set of samples used for NN training and testing are stretched and form a large matrix which is then subject to SVD. The fully connected multi-layer perceptron, with one or two hidden layers, can be trained to predict the MOR-data with less than 10% RE. As a key insight, a better strategy is to train separate NNs for the plasma response fields with different toroidal mode numbers. It is also better to apply MOR and to subsequently train NNs separately for conventional and low aspect ratio devices, due to enhanced toroidal coupling of Fourier spectra in the plasma response in the latter case.

3D equilibrium↗
DOE OSTI2024

Computation of the expectation value of the spin operator S^ 2 for the spin-flip Bethe–Salpeter equation

Spin-flip (SF) methods applied to excited-state approaches like the Bethe–Salpeter equation allow access to the excitation energies of open-shell systems, such as molecules and defects in solids. The eigenstates of these solutions, however, are generally not eigenstates of the spin operator S^ 2 . Even for simple cases where the excitation vector is expected to be, for example, a triplet state, the value of S^ 2 may be found to differ from 2.00; this difference is called 'spin contamination'. The expectation values S^ 2 must be computed for each excitation vector, to assist with the characterization of the particular excitation and to determine the amount of spin contamination of the state. Here, our aim is to provide for the first time in the SF methods literature a comprehensive resource on the derivation of the formulas for S^ 2 as well as its computational implementation. After a brief discussion of the theory of the SF Bethe–Salpeter equation (BSE) and some examples further illustrating the need for calculating S^ 2 , we present the derivation for the general equation for computing S^ 2 with the eigenvectors from an SF-BSE calculation, how it is implemented in a Python script, and timing information on how this calculation scales with the size of the SF-BSE Hamiltonian.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Filtering states with total spin on a quantum computer

Starting from a general wave-function described on a set of spins or qubits, we propose several quantum algorithms to extract the components of this state on eigenstates of total spin S 2 and its z component S z . The method plays the role of total spin projection and gives access to the amplitudes of the initial state on a total spin basis. Here, the different algorithms have various degrees of sophistication depending on the requested tasks. They can either solely project onto the subspace with good total spin or completely uplift the degeneracy in this subspace. In the former case, when the projection on the total spin j is made, we show that the number of operations for the projection can be reduced from a quadratic to a linear dependence in j. After each measurement, the state collapses to one of the spin eigenstates that could be used for postprocessing. For this reason, we call the method total quantum spin filtering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Asymptotic errors in adiabatic evolution

The adiabatic theorem in quantum mechanics implies that if a system is in a discrete eigenstate of a Hamiltonian and the Hamiltonian evolves in time arbitrarily slowly, the system will remain in the corresponding eigenstate of the evolved Hamiltonian. Understanding corrections to the adiabatic result that arise when the evolution of the Hamiltonian is slow—but not arbitrarily slow—has become increasingly important, especially since adiabatic evolution has been proposed as a method of state preparation in quantum computing. Here, this paper identifies two regimes, an adiabatic regime in which corrections are generically small and can depend on details of the evolution throughout the path, and a hyperadiabatic regime in which the error is given by a form similar to an asymptotic expansion in the inverse of the evolution time with the coefficients depending principally on the behavior at the endpoints. However, the error in this hyperadiabatic regime is neither given by a true asymptotic series nor solely dependent on the endpoints: the coefficients combine the contributions from both endpoints, with relative phase factors that depend on the average spectral gaps along the trajectory, multiplied by the evolution time. The central result of this paper is to identify a quantity, referred to as the typical error, which is obtained by appropriately averaging the error over evolution times that are small compared to the evolution time itself. This typical error is characterized by an asymptotic series and depends solely on the endpoints of the evolution, remaining independent of the details of the intermediate evolution.

adiabatic approximation↗
DOE OSTI2020

Magic-angle semimetals with chiral symmetry

Here, we construct and solve a two-dimensional, chirally symmetric model of Dirac cones subjected to a quasiperiodic modulation. In real space, this is realized with a quasiperiodic hopping term. This hopping model, as we show, at the Dirac node energy has a rich phase diagram with a semimetal-to-metal phase transition at intermediate amplitude of the quasiperiodic modulation, and a transition to a phase with a diverging density of states (DOS) and subdiffusive transport when the quasiperiodic hopping is strongest. We further demonstrate that the semimetal-to-metal phase transition can be characterized by the multifractal structure of eigenstates in momentum space and can be considered as a unique “unfreezing” transition. This unfreezing transition in momentum space generates flat bands with a dramatically renormalized bandwidth in the metallic phase similar to the phenomena of the band structure of twisted bilayer graphene at the magic angle. We characterize the nature of this transition numerically as well as analytically in terms of the formation of a band of topological zero modes. For pure quasiperiodic hopping, we provide strong numerical evidence that the low-energy DOS develops a divergence and the eigenstates exhibit Chalker (quantum-critical) scaling despite the model not being random. At particular commensurate limits the model realizes higher-order topological insulating phases. We discuss how these systems can be realized in experiments on ultracold atoms and metamaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Extended nonergodic regime and spin subdiffusion in disordered SU(2)-symmetric Floquet systems

In this work, we explore thermalization and quantum dynamics in a one-dimensional disordered SU(2)-symmetric Floquet model, where a many-body localized phase is prohibited by the non-Abelian symmetry. Despite the absence of localization, we find an extended nonergodic regime at strong disorder where the system exhibits nonthermal behaviors. In the strong disorder regime, the level spacing statistics exhibit neither a Wigner-Dyson nor a Poisson distribution, and the spectral form factor does not show a linear-in-time growth at early times characteristic of random matrix theory. The average entanglement entropy of the Floquet eigenstates is subthermal, although violating an area-law scaling with system sizes. We further compute the expectation value of local observables and find strong deviations from the eigenstate thermalization hypothesis. The infinite-temperature spin autocorrelation function decays at long times as $t^{–β}$ with $\textit{β}$ < 0.5, indicating subdiffusive transport at strong disorders.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exact quantum scars in the chiral nonlinear Luttinger liquid

While the chiral linear Luttinger liquid is integrable via bosonization, its nonlinear counterpart does not admit for an analytic solution. In this work, we find a subextensive number of exact eigenstates for a large family of density-density interaction terms. These states are embedded in a continuum of strongly correlated excited states. The real-space entanglement entropy of some exact states scales logarithmically with system size while that of others has volume-law scaling. We introduce momentum-space entanglement as an unambiguous differentiator between these exact states and the remaining excited states. With regard to momentum space, the exact states behave as bona fide quantum many-body scars: they exhibit identically zero momentum-space entanglement, while typical eigenstates behave thermally. We corroborate this finding by a level statistics analysis. Here we detail the general formalism for systematically finding all interaction terms and associated exact states, and present a number of infinite exact state sequences extending to arbitrarily high energies. Unlike many previous examples of quantum many-body scars, the exact states uncovered here do not lie at equidistant energies and do not follow from a special operator algebra. Instead, they are uniquely enabled by the interplay of Fermi statistics and chirality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Real-space representation of the quasiparticle self-consistent GW self-energy and its application to defect calculations

The quasiparticle self-consistent (QS) GW (G for Green's function, W for screened Coulomb interaction) approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by means of an energy-independent and Hermitian self-energy matrix usually given in the basis set of the DFT eigenstates. By expanding these into an atom-centered basis set (specifically here the linearized muffin-tin orbitals) a real space representation of the self-energy corrections becomes possible. In this work, We show that this representation is relatively short-ranged. This offers opportunities to construct the self-energy of a complex system from parts of the system by a cut-and-paste method. Specifically for a point defect, represented in a large supercell, the self-energy can be constructed from those of the host and a smaller defect-containing cell. The self-energy of the periodic host can be constructed simply from a GW calculation for the primitive cell. We show for the case of the As Ga in GaAs that the defect part can already be well represented by a minimal eight-atom cell and allows us to construct the self-energy for a 64-atom cell in good agreement with direct QSGW calculations for the large cell. Using this approach to an even larger 216-atom cell shows the defect band approaches an isolated defect level. The calculations also allow us to identify a second defect band which appears as a resonance near the conduction band minimum. The results on the extracted defect levels agree well with Green's function calculations for an isolated defect and with experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Finite-size subthermal regime in disordered SU ( N ) -symmetric Heisenberg chains

SU⁡(N) symmetry is incompatible with the many-body localized (MBL) phase, even when strong disorder is present. However, recent studies have shown that finite-size SU⁡(2) systems exhibit nonergodic, subthermal behavior, characterized by the breakdown of the eigenstate thermalization hypothesis, and by the excited eigenstates entanglement entropy that is intermediate between area and volume law. In this paper, we extend previous studies of the SU⁡(2)-symmetric disordered Heisenberg model to larger systems, using the time-dependent density matrix renormalization group (tDMRG) method. We simulate quench dynamics from weakly entangled initial states up to long times, finding robust subthermal behavior at stronger disorder. Although we find an increased tendency towards thermalization at larger system sizes, the subthermal regime persists at intermediate time scales, nevertheless, and therefore should be accessible experimentally. At weaker disorder, we observe signatures of thermalization; however, entanglement entropy exhibits slow sublinear growth, in contrast to conventional thermalizing systems. Furthermore, we study dynamics of the SU⁡(3)-symmetric disordered Heisenberg model. Similarly, strong disorder drives the system into subthermal regime, albeit thermalizing phase is broader compared to the SU⁡(2) case. Finally, our findings demonstrate the robustness of the subthermal regime in spin chains with non-Abelian continuous symmetry, and are consistent with eventual thermalization at large system sizes and long time scales, suggested by previous studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Single classical field description of interacting scalar fields

In this report we test the degree to which interacting Bosonic systems can be approximated by a classical field as total occupation number is increased. This is done with our publicly available code repository, QIBS, a new massively parallel solver for these systems. We use a number of toy models well studied in the literature and track when the classical field description admits quantum corrections, called the quantum breaktime. This allows us to test claims in the literature regarding the rate of convergence of these systems to the classical evolution. We test a number of initial conditions, including coherent states, number eigenstates, and field number states. We find that of these initial conditions, only number eigenstates do not converge to the classical evolution as occupation number is increased. We find that systems most similar to scalar field dark matter exhibit a logarithmic enhancement in the quantum breaktime with total occupation number. Systems with contact interactions or with field number state initial conditions, and linear dispersions, exhibit a power law enhancement. Finally, we find that the breaktime scaling depends on both model interactions and initial conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Cosmological dynamics of string theory axion strings

The quantum chromodynamics (QCD) axion may solve the strong CP problem and explain the dark matter (DM) abundance of our Universe. The axion was originally proposed to arise as the pseudo-Nambu-Goldstone boson of global U⁢(1) PQ Peccei-Quinn (PQ) symmetry breaking, but axions also arise generically in string theory as zero modes of higher-dimensional gauge fields. In this work we show that string theory axions behave fundamentally differently from field theory axions in the early Universe. Field theory axions may form axion strings if the PQ phase transition takes place after inflation. In contrast, we show that string theory axions do not generically form axion strings. In special inflationary paradigms, such as D-brane inflation, string theory axion strings may form; however, their tension is parametrically larger than that of field theory axion strings. We then show that such QCD axion strings overproduce the DM abundance for all allowed QCD axion masses and are thus ruled out, except in scenarios with large warping. A loop-hole to this conclusion arises in the axiverse, where an axion string could be composed of multiple different axion mass eigenstates; a heavier eigenstate could collapse the network earlier, allowing for the QCD axion to produce the correct DM abundance and also generating observable gravitational wave signals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantum real-time evolution of entanglement and hadronization in jet production: Lessons from the massive Schwinger model

The possible link between entanglement and thermalization, and the dynamics of hadronization are addressed by studying the real-time response of the massive Schwinger model coupled to external sources. This setup mimics the production and fragmentation of quark jets, as the Schwinger model and quantum chromodynamics (QCD) share the properties of confinement and chiral symmetry breaking. By using simulations of quantum dynamics on classical hardware, we study the entanglement between the produced jets, and observe the growth of the corresponding entanglement entropy in time. This growth arises from the increased number of contributing eigenstates of the reduced density matrix with sufficiently large and close eigenvalues. We also investigate the physical nature of these eigenstates, and find that at early times they correspond to fermionic Fock states. We then observe the transition from these fermionic Fock states to mesonlike bound states as a function of time. In other words, we observe how hadronization develops in real time. At late times, the local observables at midrapidity (such as the fermion density and the electric field) approach approximately constant values, suggesting the onset of equilibrium and approach to thermalization. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗