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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Single- and two-particle finite size effects in interacting lattice systems

Simulations of extended quantum systems are typically performed by extrapolating results of a sequence of finite-system-size simulations to the thermodynamic limit. In the quantum Monte Carlo community, twist-averaging was pioneered as an efficient strategy to eliminate one-body finite size effects. In the dynamical mean field community, cluster generalizations of the dynamical mean field theory were formulated to study systems with nonlocal correlations. In this work, we put the twist-averaging and the dynamical cluster approximation variant of the dynamical mean field theory onto equal footing, discuss commonalities and differences, and compare results from both techniques to the standard periodic boundary technique. At the example of Hubbard-type models with local, short-range and Yukawa-like longer range interactions we show that all methods converge to the same limit, but that the convergence speed differs in practice. We show that embedding theories are an effective tool for managing both one-body and two-body finite size effects, in particular if interactions are averaged over twist angles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Unraveling higher-order contributions to spin excitations probed using resonant inelastic x-ray scattering

Resonant inelastic x-ray scattering (RIXS) is an evolving tool for investigating the spin dynamics of strongly correlated materials, which complements inelastic neutron scattering. In isotropic spin-$\frac{1}{2}$ Heisenberg antiferromagnetic (HAFM) spin chains, both techniques have observed non-spin-conserving (NSC) excitations confined to the two-spinon phase space. However, a recent O K-edge RIXS study of the one-dimensional HAFM Sr 2 CuO 3 observed spin-conserving (SC) four-spinon excitations outside the two-spinon phase space. Here, we demonstrate that analogous four-spinon excitations can also be accessed at the Cu L 3 edge in the related material SrCuO 2 . Through detailed modeling, we establish that these excitations appear in both the SC and NSC channels of the Cu L 3 edge, and are only captured by higher-order terms in the ultrashort core-hole lifetime expansion. Finally, since these terms encode information about spin-spin correlations extending beyond nearest neighbors, our results offer different possibilities for studying nonlocal spin correlations in quantum magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Slowly decaying zero mode in a weakly nonintegrable boundary impurity model

The transverse field Ising model (TFIM) on the half-infinite chain possesses an edge zero mode. This work considers an impurity model: TFIM perturbed by a boundary integrability-breaking interaction. For sufficiently large transverse field, but in the ordered phase of the TFIM, the zero mode is observed to decay. The decay is qualitatively different from zero modes where the integrability-breaking interactions are nonzero all along the chain. It is shown that for the impurity model, the zero mode decays by relaxing to a nonlocal quasiconserved operator, the latter being exactly conserved when the opposite edge of the chain has no noncommuting perturbations so as to ensure perfect degeneracy of the spectrum. In the thermodynamic limit, the quasiconserved operator vanishes, and a regime is identified where the decay of the zero mode obeys Fermi's golden rule. Furthermore, a toy model for the decay is constructed in Krylov space and it is highlighted how Fermi's golden rule may be recovered from this toy model.

1-dimensional systems↗
DOE OSTI2024

Quantum order by disorder in frustrated spin nanotubes

Here we investigate quantum order by disorder in a frustrated spin nanotube formed by wrapping a J1–J2 Heisenberg model at 45° around a cylinder. Using Schwinger boson theory and density matrix renormalization group (DMRG), we have computed the ground-state phase diagram to reveal a Z2 phase in which collinear spin stripes form a right- or left-handed helix around the nanotube. We have derived an analytic estimate for the critical η c = J 1 /2J 2 of the Z 2 -helical phase transition, which is in agreement with the DMRG results. By evaluating the entanglement spectrum and nonlocal string order parameters we discuss the topology of the Z 2 -helical phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Giant spin transport anisotropy in magnetic topological insulators

Here, we report on exceptionally long spin transport and giant spin lifetime anisotropy in the gapped surface states of three-dimensional (3D) magnetic topological insulators (MTIs). We examine the properties of these states using the three-dimensional Fu-Kane-Mele Hamiltonian model in the presence of a magnetic exchange field. The corresponding spin textures of surface states, which are well reproduced by an effective two-band model, hint at a considerable enhancement of the lifetime of out-of-plane spins compared to in-plane spins. This is confirmed by large-scale spin transport simulations for 3D MTIs with disorder. The energy dependence of the spin lifetime anisotropy arises directly from the nontrivial spin texture of the surface states, and is correlated with the onset of the quantum anomalous Hall phase. Our findings suggest different spin filtering capabilities of the gapped surface MTI states, which could be explored by nonlocal spin valve measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Dynamics of metastable contact soliton dissipative exchange flows in one-dimensional ferromagnetic channels

Dissipative exchange flows (DEFs) are large-amplitude boundary value solutions of ferromagnetic channels. In their low-injection limit, DEFs reduce to spin superfluids. However, in the strong injection limit, nonlinearities dominate close to the injection site and a soliton is formed; this solution has been termed a contact soliton dissipative exchange flow (CS-DEF). Here, in this work, we numerically investigate CS-DEF solutions in a moderate injection regime and a finite injection width. We find a solution where two metastable solitons coexist in the injection region. This solution is metastable in the sense that any perturbation to the system will eject one of the solitons out of the injection region. Moreover, soliton dynamics can be excited when two injection regions are separated by a certain distance. We find that the ensuing DEF between the solitons induces a steady-state dynamics in which metastable solitons are continually ejected and nucleated. Furthermore, and depending on the relative signs of the spin injections, the soliton dynamics possess a particular handedness and frequency related to the spin transfer torque delivered by the DEF. Our results provide insights into the transport of spin current by DEFs - where the interaction between DEFs and solitons suggests a mechanism for detaching contact-solitons from the injection boundary. Although this study focuses on the "nonlocal" interaction between solitons, it may lead to the investigation of new mechanisms for inserting solitons in a DEF, e.g., for discrete motion and transport of information over long distances.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tunable atomically enhanced moiré Berry curvatures in twisted triple bilayer graphene

We report a twisted triple bilayer graphene platform consisting of three units of Bernal bilayer graphene consecutively twisted at 1.49° and 1.68°. We demonstrate the atomic reconstruction between the two competing moiré superlattices strongly enhances the Berry curvature of each moiré band insulator state, characterized by measured strong nonlocal valley Hall effect that sensitively depends on the intermoiré competition strength, tunable by manipulating the out-of-plane carrier distribution. Our study sheds light on the microscopic mechanism of atomic and electronic reconstruction in twisted multilayer systems, by systematically investigating transport signatures of moiré Berry curvature and its enhancement from moiré-of-moiré lattice reconstruction. In conclusion, we show that the reconstructed electronic band can be versatilely tuned by electrostatics, providing an approach toward engineering the band structure and its topology for a quantum material platform with designer electrical and optical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Calculating n-point charge correlations in evolving systems

Background: In dynamic systems such as heavy-ion collisions, charge susceptibilities and local charge correlations change with time. These changes are accompanied by nonlocal correlations, which spread diffusively with time and are constrained by local charge conservation. Such correlations have been measured at the Relativistic Heavy-Ion Collider (RHIC) and have been linked to the chemical evolution of the matter and possible phase separation or critical phenomena. The evolution of such correlations has been modeled for two-point correlators superimposed onto hydrodynamics, but not for three- or four-point correlators. These higher-order correlators represent an essential basis for calculating the kurtosis and skewness of charge distributions measured at RHIC. For short-range correlations, such as those between charges on the same particle, and the associated charge-balance correlations a theoretical formalism was lacking for handling higher-order correlations. In particular, one needed to understand how higher-order charge fluctuations was split onto lower numbers of particles. For example, correlations of order three have contributions with charge all on one particle, split onto two particle, or split onto three. By assuming local chemical equilibrium of short-range correlations, the sources of the various correlators were found to be uniquely determined. The relevant theoretical foundation is presented here, including a diagrammatic technique to correctly account for all the possible terms to higher-order correlations. Here, we found a consistent theoretical treatment and its applicability, viability, and tractability are discussed. The formalism derived here enables realistic and quantitative modeling of the three- and four-point charge correlations necessary for understanding measurements of the kurtosis and skewness of charge distributions at RHIC. These observables have been promoted as signals of phase transitions or measures of chemical evolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Dispersive optical model analysis of 208 Pb generating a neutron-skin prediction beyond the mean field

In this work, a nonlocal dispersive optical model analysis is carried out for neutrons and protons in 208 Pb. Elastic-scattering angular distributions, total and reaction cross sections, single-particle energies, neutron and proton numbers, the charge distribution, and the binding energy are fitted to extract the neutron and proton self-energies both above and below the Fermi energy. From the single-particle propagator derived from these self-energies, we determine the charge and matter distributions in 208 Pb. The predicted spectroscopic factors are consistent with results from the ($\textit{e,e}'\textit{p}$) reaction and inelastic-electron-scattering data to very high-spin states. Sensible results for the high-momentum content of neutrons and protons are obtained, with protons appearing more correlated, in agreement with experiment and ab initio calculations of asymmetric matter. A neutron skin of 0.25 ± 0.05 fm is deduced. An analysis of several nuclei leads to the conclusion that finite-size effects play a nonnegligible role in the formation of the neutron skin in finite nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Estimating outflow masses and velocities in merger simulations: Impact of r -process heating and neutrino cooling

Here, the determination of the mass, composition, and geometry of matter outflows in black hole-neutron star and neutron star-neutron star binaries is crucial to current efforts to model kilonovae and to understand the role of neutron star merger in r-process nucleosynthesis. In this manuscript, we review the simple criteria currently used in merger simulations to determine whether matter is unbound and what the asymptotic velocity of ejected material will be. We then show that properly accounting for both heating and cooling during r-process nucleosynthesis is important to accurately predict the mass and kinetic energy of the outflows. These processes are also likely to be crucial to predict the fall-back timescale of any bound ejecta. We derive a model for the asymptotic velocity of unbound matter and binding energy of bound matter that accounts for both of these effects and that can easily be implemented in merger simulations. We show, however, that the detailed velocity distribution and geometry of the outflows can currently only be captured by full three-dimensional fluid simulations of the outflows, as nonlocal effect ignored by the simple criteria used in merger simulations cannot be safely neglected when modeling these effects. Finally, we propose the introduction of simple source terms in the fluid equations to approximately account for heating/cooling from r-process nucleosynthesis in future seconds-long three-dimensional simulations of merger remnants, without the explicit inclusion of out-of-nuclear statistical equilibrium reactions in the simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Transversity GPDs of the proton from lattice QCD

We present the first calculation of the x dependence of the isovector transversity generalized parton distributions (GPDs) for the proton within lattice QCD. We compute the matrix elements with nonlocal operators containing a Wilson line. The calculation implements the Breit symmetric frame. The proton momenta are chosen as 0.83, 1.25, and 1.67 GeV, and the values of the momentum transfer squared are 0.69 and 1.02 GeV 2 . These combinations include cases with zero and nonzero skewness. The calculation is performed using one ensemble of twisted-mass fermions with a clover term: two degenerate-mass light quarks, a strange quark, and a charm quark. The lattice results are renormalized nonperturbatively and finally matched to the light-cone GPDs using one-loop perturbation theory within the framework of large-momentum effective theory. The final GPDs are given in the $\overline{MS}$ scheme at a scale of 2 GeV. In addition to the individual GPDs, we form the combination of the transversity GPDs that is related to the transverse spin structure of the proton. Finally, we extract the lowest two moments of the GPDs and draw a number of important qualitative conclusions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Preparations for quantum simulations of quantum chromodynamics in 1+1 dimensions. I. Axial gauge

Here, tools necessary for quantum simulations of 1+1 dimensional quantum chromodynamics are developed. When formulated in axial gauge and with two flavors of quarks, this system requires 12 qubits per spatial site with the gauge fields included via nonlocal interactions. Classical computations and D-wave’s quantum annealer advantage are used to determine the hadronic spectrum, enabling a decomposition of the masses and a study of quark entanglement. Color “edge” states confined within a screening length of the end of the lattice are found. IBM’s seven-qubit quantum computers, ibmq_jakarta and ibm_perth, are used to compute dynamics from the trivial vacuum in one-flavor QCD with one spatial site. More generally, the Hamiltonian and quantum circuits for time evolution of 1+1 dimensional SU(N c ) gauge theory with Nf flavors of quarks are developed, and the resource requirements for large-scale quantum simulations are estimated.

1+1 dimensions↗
DOE OSTI2023

Spin alignment of vector mesons by glasma fields

We explain how spin alignment of vector mesons can be induced by background fields, such as electromagnetic fields or soft gluon fields. Our study is based on the quantum kinetic theory of spinning quarks and antiquarks and incorporates the relaxation of the dynamically generated spin polarization. The spin density matrix of vector mesons is obtained by quark coalescence via the Wigner function and kinetic equation. Our approach predicts a local spin correlation that is distinct from the nonlocal expressions previously obtained in phenomenological derivations. We estimate the magnitude of such local correlations in the glasma model of the preequilibrium phase of relativistic heavy ion collisions. It is found that the resulting spin alignment could be greatly enhanced and may be comparable to the experimental measurement in order of magnitude. We further propose new phenomenological scenarios to qualitatively explain the transverse-momentum and centrality dependence of spin alignment in a self-consistent framework.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hadronic structure on the light front. VIII. Light scalar and vector mesons

We use the QCD instanton vacuum model to discuss the emergence of the light scalar and vector mesons on the light front. We take into account both the instanton and anti-instanton single and molecular interactions on the light quarks, in the form of nonlocal effective interactions. Although the molecular induced interactions are suppressed by a power of the packing fraction, they are still sufficient to bind the vector mesons, while keeping most of the scalar spectrum relatively unchanged. We explicitly derive the light front distribution amplitudes and partonic functions for the scalar and vector mesons, and compare them after pertinent QCD evolution, to the available empirical and lattice measured counterparts. The Dirac electric form factors for both the pion and ρ meson are derived, and shown to compare well with current data. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Partially celestial states and their scattering amplitudes

We study representations of the Poincaré group that have a privileged transformation law along a p -dimensional hyperplane, and uncover their associated spinor-helicity variables in D spacetime dimensions. Our novel representations generalize the recently introduced celestial states and transform as conformal primaries of S O ( p , 1 ) , the symmetry group of the p -hyperplane. We will refer to our generalized states as “partially celestial.” Following Wigner’s method, we find the induced representations, including spin degrees of freedom. Defining generalized spinor-helicity variables for every D and p , we are able to construct the little group covariant part of partially celestial amplitudes. Finally, we briefly examine the application of the pairwise little group to partially celestial states with mutually nonlocal charges. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Renormalization of asymmetric staple-shaped Wilson-line operators in lattice and continuum perturbation theory

In this work, we study the renormalization of nonlocal quark bilinear operators containing an asymmetric staple-shaped Wilson line at the one-loop level in both lattice and continuum perturbation theory. These operators enter the first-principle calculation of transverse momentum-dependent parton distribution functions (TMDPDFs) in lattice QCD using the formulation of large momentum effective theory. We provide appropriate RI ′ -type conditions that address the power and logarithmic divergences, as well as the mixing among staple operators of different Dirac structures, using a number of different possible projectors. A variant of RI ′ , including calculations of rectangular Wilson loops, which cancel the pinch-pole singularities of the staple operators at infinite length and reduce residual power divergences, is also employed. We calculate at one-loop order the conversion matrix, which relates the quasi-TMDPDFs in the RI ′ -type schemes to the reference scheme MS ¯ for arbitrary values of the renormalization momentum scale and of the dimensions of the staple. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Horocycle regulator: Exact cutoff-independence in AdS/CFT

While the entanglement entropy of a single subregion in quantum field theory is formally infinite and requires regularization, certain combinations of entropies are perfectly finite in the limit that the regulator is removed, the mutual information being a common example. For generic regulator schemes, such as a holographic calculation with a uniform radial cutoff, these quantities show nontrivial dependence on the regulator at finite values of the cutoff. We investigate a holographic regularization scheme defined in three-dimensional anti-de Sitter space constructed from , curves in two-dimensional hyperbolic space perpendicular to all geodesics approaching a single point on the boundary, that leads to finite information measures that are cutoff independent, even at finite values of the regulator. We describe a broad class of such information measures, and describe how the field theory dual to the horocycle regulator is inherently nonlocal. Published by the American Physical Society 2024

Agrawal, Sristy↗
DOE OSTI2024

Toward a Ginsparg-Wilson lattice Hamiltonian

To address quantum computation of quantities in quantum chromodynamics (QCD) for which chiral symmetry is important, it would be useful to have the Hamiltonian for a fermion satisfying the Ginsparg-Wilson (GW) equation. I work with a solution to the GW equation which is fractional linear in time derivatives. The resulting Hamiltonian is nonlocal and has ghosts, but is free of doublers and has the correct continuum limit. This construction works in general odd spatial dimensions, and I provide an explicit expression for the Hamiltonian in one spatial dimension. Published by the American Physical Society 2024

Astronomy & Astrophysics↗