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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Magnetoelastic interactions in SrCu 2 (BO 3 ) 2 studied by Raman scattering experiments and first principles calculations

Dynamic and static crystal lattice properties of SrCu 2 (BO 3 ) 2 are studied by means of Raman scattering, magnetostriction, and thermal expansion measurements in magnetic fields to 45 T. Raman experiments versus temperature reveal that some phonon modes show an unusual behavior: their frequencies soften (modes at 200 and 450 cm –1 ) while others harden (modes at 385 and 478 cm –1 ) when decreasing the temperature below 15 K. Magneto-Raman experiments show that their field dependence correlates with their respective temperature dependencies; e.g., modes that are hardened with increasing temperature also harden with applied magnetic fields and modes that become softer with temperature also soften with applied fields. We use density functional theory to successfully model and compute the energies of these modes, classifying them into two types: pantograph (modes that soften when decreasing the temperature) and nonpantograph. We conclude that the former involves the modification of the intradimer exchange interaction J and the latter the interdimer J'. Lastly, dilatometry is used to correlate field-dependent Raman modes to the closing of the spin gap as well as fractional-magnetization stripe states M = 1/4 M s and M = 1/3 M s , where M s is the saturation magnetization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Provably accurate simulation of gauge theories and bosonic systems

Quantum many-body systems involving bosonic modes or gauge fields have infinite-dimensional local Hilbert spaces which must be truncated to perform simulations of real-time dynamics on classical or quantum computers. To analyze the truncation error, we develop methods for bounding the rate of growth of local quantum numbers such as the occupation number of a mode at a lattice site, or the electric field at a lattice link. Our approach applies to various models of bosons interacting with spins or fermions, and also to both abelian and non-abelian gauge theories. We show that if states in these models are truncated by imposing an upper limit Λ on each local quantum number, and if the initial state has low local quantum numbers, then an error at most ϵ can be achieved by choosing Λ to scale polylogarithmically with ϵ − 1 , an exponential improvement over previous bounds based on energy conservation. For the Hubbard-Holstein model, we numerically compute a bound on Λ that achieves accuracy ϵ , obtaining significantly improved estimates in various parameter regimes. We also establish a criterion for truncating the Hamiltonian with a provable guarantee on the accuracy of time evolution. Building on that result, we formulate quantum algorithms for dynamical simulation of lattice gauge theories and of models with bosonic modes; the gate complexity depends almost linearly on spacetime volume in the former case, and almost quadratically on time in the latter case. We establish a lower bound showing that there are systems involving bosons for which this quadratic scaling with time cannot be improved. By applying our result on the truncation error in time evolution, we also prove that spectrally isolated energy eigenstates can be approximated with accuracy ϵ by truncating local quantum numbers at Λ = polylog ( ϵ − 1 ) .

Tong, Yu↗
DOE OSTI2020

Squaring the fermion: The threefold way and the fate of zero modes

In this work, we investigate topological properties and classification of mean-field theories of stable bosonic systems. Of the three standard classifying symmetries, only time reversal represents a real symmetry of the many-boson system, while the other two, particle-hole and chiral, are simply constraints that manifest as symmetries of the effective single-particle problem. For gapped systems in arbitrary space dimension, we establish three fundamental no-go theorems that prove the absence of parity switches, symmetry-protected-topological quantum phases, and localized bosonic zero modes under open boundary conditions. We then introduce a squaring, kernel-preserving map connecting noninteracting Hermitian theories of fermions and stable boson systems, which serves as a playground to reveal the role of topology in bosonic phases and their localized midgap boundary modes. Finally, we determine the symmetry classes inherited from the fermionic tenfold-way classification, unveiling an elegant threefold-way topological classification of noninteracting bosons. We illustrate our main findings in one- and two-dimensional bosonic lattice and field-theory models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Field-level reconstruction from foreground-contaminated 21-cm maps

Current and upcoming 21-cm experiments will soon be able to map 21-cm spatial fluctuations in three dimensions for a wide range of redshifts. However, bright foreground contamination and the nature of radio interferometry create significant challenges, making it difficult to access rich cosmological information from the Fourier modes that lie within the “foreground wedge”. Here, in this work, we introduce two approaches aiming to reconstruct the full 21-cm density field, including the missing modes in the wedge: (a) a field-level inference under an effective field theory (EFT) framework; (b) a diffusion-based deep generative model trained on simulations. Under the EFT framework, we implement a fully differentiable forward model that maps the initial conditions of matter fluctuations to the observed, foreground-filtered 21-cm maps. This enables a gradient-based sampler to simultaneously sample the initial conditions and bias parameters, allowing a physically motivated mode reconstruction. Alternatively, we apply a variational diffusion model to perform 21-cm density reconstruction at the map level. Our model is trained on semi-numerical simulations over a wide range of astrophysical parameters. Our results from both approaches should provide improved cosmological constraints from the field level and also enable cross-correlation between experiments that have little or no overlapping modes.

cosmological perturbation theory↗
DOE OSTI2021

Comments on the quantum field theory of the Coulomb gas formalism

The holomorphic Coulomb gas formalism, as developed by Feigin-Fuchs, Dotsenko-Fateev and Felder, is a set of rules for computing minimal model observables using free field techniques. We attempt to derive and clarify these rules using standard techniques of quantum field theory. We begin with a careful examination of the timelike linear dilaton. Although the background charge of the model breaks the scalar field’s continuous shift symmetry, the exponential of the action remains invariant under a discrete shift because the background charge is imaginary. Gauging this symmetry makes the dilaton compact and introduces winding modes into the spectrum. One of these winding operators corresponds to the anti-holomorphic completion of the BRST current first introduced by Felder, and the full left/right cohomology of this BRST charge isolates the irreducible representations of the Virasoro algebra within the degenerate Fock space of the linear dilaton. The “supertrace” in the BRST complex reproduces the minimal model partition function and exhibits delicate cancellations between states with both momentum and winding. The model at the radius $R=\sqrt{pp^{\prime }}$ has two marginal operators corresponding to the Dotsenko-Fateev “screening charges”. Deforming by them, we obtain a model that might be called a “BRST quotiented compact timelike Liouville theory”. The Hamiltonian of the zero-mode quantum mechanics of this model is not Hermitian, but it is PT -symmetric and exactly solvable. Its eigenfunctions have support on an infinite number of plane waves, suggesting an infinite reduction in the number of independent states in the full quantum field theory. Applying conformal perturbation theory to the exponential interactions reproduces the Coulomb gas calculations of minimal model correlation functions. In contrast to spacelike Liouville, these “resonance correlators” are finite because the zero mode is compact. We comment on subtleties regarding the reflection operator identification, as well as naive violations of truncation in correlators with multiple reflection operators inserted. This work is part of an attempt to understand the relationship between the JT model of two dimen- sional gravity and the worldsheet description of the (2 , p ) minimal string as suggested by Seiberg and Stanford.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Manipulating Ferroelectric Topological Polar Structures with Twisted Light

Abstract The dynamic control of non‐equilibrium states represents a central challenge in condensed matter physics. While intense terahertz fields drive metal‐insulator transitions and ferroelectricity via soft phonon modes, recent theory suggests that twisted light with orbital angular momentum (OAM) offers a distinct route to manipulate ferroelectric order and stabilize topological excitations including skyrmions, vortices, and Hopfions. Control of ferroelectric polarization in quasi‐2D CsBiNb 2 O 7 (CBNO) is demonstrated using non‐resonant twisted ultra‐violet (UV) light (375 nm, 800 THz). Combining in situ X‐ray Bragg coherent diffractive imaging (BCDI), twisted optical Raman spectroscopy, and density functional theory (DFT), three‐dimensional (3D) ionic displacements, strain fields, and polarization changes are resolved in single crystals. Operando measurements reveal light‐induced strain hysteresis under twisted light–a hallmark of nonlinear, history‐dependent ferroelastic switching driven by OAM. Discrete, irreversible domain transitions emerge as the topological charge ℓ is cycled, stabilizing non‐trivial domain textures including vortex‐antivortex pairs, Bloch/anti‐Bloch points, and merons. These persist after OAM removal, indicating a memory effect. Competing mechanisms are discussed, including multiphoton absorption, strain‐mediated polarization switching, and defect‐wall interactions. The findings establish structured light as a tool for deterministic, reversible control of ferroic states, enabling optically reconfigurable non‐volatile devices.

Chemistry↗
DOE OSTI2020

Topological orders of monopoles and hedgehogs: From electronic and magnetic spin-orbit coupling to quarks

Topological states of matter are, generally, quantum liquids of conserved topological defects. We establish this by constructing and analyzing topological field theories which introduce gauge fields to describe the dynamics of singularities in the original field configurations. In this work, homotopy groups are utilized to identify topologically protected singularities, and the conservation of their protected number is captured by a topological action term that unambiguously obtains from the given set of symmetries. Stable phases of these theories include quantum liquids with emergent massless Abelian and non-Abelian gauge fields, as well as topological orders with long-range quantum entanglement, fractional excitations, boundary modes, and unconventional responses to external perturbations. This paper focuses on the derivation of topological field theories and basic phenomenological characterization of topological orders associated with homotopy groups π n (S n ), n ≥ 1 . These homotopies govern monopole and hedgehog topological defects in d = n + 1 dimensions, and enable the generalization of both weakly interacting and fractional quantum Hall liquids of vortices to d > 2 . Hedgehogs have not been in the spotlight so far, but they are particularly important defects of magnetic moments because they can be stimulated in realistic systems with spin-orbit coupling, such as chiral magnets and d = 3 topological materials. We predict topological orders in systems with U(1) × Spin(d) symmetry in which fractional electric charge attaches to hedgehogs. Monopoles, the analogous defects of charge or generic U(1) currents, may bind to hedgehogs via Zeeman effect, or effectively emerge in purely magnetic systems. The latter can lead to spin liquids with different topological orders than that of the resonant valence bond spin liquid. Charge fractionalization of quarks in atomic nuclei is also seen as possibly arising from the charge-hedgehog attachment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hydrodynamic generators in relativistic kinetic theory

Here, we resum the nonequilibrium gradient corrections to a single-particle distribution function evolved by the Boltzmann equation in the relaxation time approximation (RTA). We first study a system undergoing Bjorken expansion and show that, for a constant relaxation time, the exact solution of the RTA Boltzmann equation at late times (i.e., after the decay of nonhydrodynamic modes) generates the Borel resummed Chapman-Enskog series. Extending this correspondence to systems without Bjorken symmetry, we construct a ( 3 + 1 )-dimensional hydrodynamic generator for RTA kinetic theory, which is an integral representation of the Chapman-Enskog series in the limit of vanishing nonhydrodynamic modes. Relaxing this limit, we discover at earlier times a set of nonhydrodynamic modes coupled to the RTA Chapman-Enskog expansion. Including the dynamics of these nonhydrodynamic modes is shown to control the emergence of hydrodynamics as an effective field theory description of nonequilibrium fluids, which works well even for far-off-equilibrium situations where the Knudsen number is initially large.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Hybrid gyrokinetic ion/fluid electron simulation of toroidal tearing modes

The effects of toroidicity and kinetic ions on the resistive tearing mode are systematically studied with the gyrokinetic particle-in-cell simulation code GEM and compared with analytic theory. A new field solver in toroidal geometry has been developed for the simulation of low-n (n = 1, 2) modes in tokamaks. It is found that the toroidal effect significantly reduces the growth rate of the tearing mode. The toroidal effect can also increase the radial width of the tearing mode and change the scaling between the radial mode width and resistivity due to the toroidal pressure term in the electron continuity equation. The kinetic effects of ions can decrease the growth rate of the tearing mode. The plasma flux-surface shaping is found to have significant effect on the tearing mode.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Characterization of fast magnetosonic waves driven by compact toroid plasma injection along a magnetic field

Magnetosonic waves are low-frequency, linearly polarized magnetohydrodynamic (MHD) waves commonly found in space, responsible for many well-known features, such as heating of the solar corona. In this work, we report observations of interesting wave signatures driven by injecting compact toroid (CT) plasmas into a static Helmholtz magnetic field at the Big Red Ball Facility at Wisconsin Plasma Physics Laboratory. By comparing the experimental results with the MHD theory, we identify that these waves are the fast magnetosonic modes propagating perpendicular to the background magnetic field. Additionally, we further investigate how the background field, preapplied poloidal magnetic flux in the CT injector, and the coarse grid placed in the chamber affect the characteristics of the waves. Since this experiment is part of an ongoing effort of creating a target plasma with tangled magnetic fields as a novel fusion fuel for magneto-inertial fusion (MIF), our current results could shed light on future possible paths of forming such a target for MIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Relativistic spin hydrodynamics with torsion and linear response theory for spin relaxation

Using the second law of local thermodynamics and the first-order Palatini formalism, we formulate relativistic spin hydrodynamics for quantum field theories with Dirac fermions, such as QED and QCD, in a torsionful curved background. We work in a regime where spin density, which is assumed to relax much slower than other non-hydrodynamic modes, is treated as an independent degree of freedom in an extended hydrodynamic description. Spin hydrodynamics in our approach contains only three non-hydrodynamic modes corresponding to a spin vector, whose relaxation time is controlled by a new transport coefficient: the rotational viscosity. We study linear response theory and observe an interesting mode mixing phenomenon between the transverse shear and the spin density modes. We propose several field-theoretical ways to compute the spin relaxation time and the rotational viscosity, via the Green-Kubo formula based on retarded correlation functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Guiding center and gyrokinetic orbit theory for large electric field gradients and strong shear flows

The guiding center and gyrokinetic theory of magnetized particle motion is extended to the regime of large electric field gradients perpendicular to the magnetic field. A gradient in the electric field directly modifies the oscillation frequency and causes the Larmor orbits to deform from circular to elliptical trajectories. In order to retain a good adiabatic invariant, there can only be strong dependence on a single coordinate at lowest order, so that resonances do not generate chaotic motion that destroys the invariant. When the gradient across magnetic flux surfaces is dominant, the guiding center drift velocity becomes anisotropic in response to external forces and additional curvature drifts must be included. The electric polarization density remains gyrotropic, but both the polarization and magnetization are modified by the change in gyrofrequency. The theory can be applied to shear flows that are even stronger than those observed in the edge transport barrier of a high-performance tokamak (H-mode) pedestal, even if the toroidal field is as small as or even smaller than the poloidal field. Yet, the theory retains a mathematical form that is similar to the standard case and can readily be implemented within existing simulation tools.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Majorana Edge Modes in Isolated Wires

Topological superconductors are believed to host exotic quasiparticle excitations known as Majorana zero modes (MZMs), with much of the evidence based on BCS mean-field theory. The direct application of mean-field arguments is tenuous in finite, isolated systems relevant in some experiments. Here, we develop a new correlation-based method for identifying MZMs in interacting, number-conserving systems. Using the density matrix renormalization group, we study fermion number-conserving models with long-range interactions, which under periodic boundary conditions exhibit robust topological and nontopological superconductivity, tuned by the strength of interaction [Ortiz et al., Phys. Rev. Lett. 113, 267002 (2014)]. We find evidence that, on the topological side, Majorana edge modes appear in open chains, manifesting as the vanishing of the energy splitting between odd- and even-parity ground states with increasing system size. Additionally, off-diagonal two-point correlation functions show nonlocal, parity-dependent edge effects. These correlations reveal the spatial structure of Majorana modes in the many-body wave function. We show that the correlation diagnostic applies broadly, including to short-range interacting models, where topological superconductivity is more fragile due to the absence of a bulk excitation gap.

Thomas-Markarian, Jaden↗
DOE OSTI2021

Integrability and Symmetries of Classical Geometries

This research project had two major objectives: advancement in constructing quantum theory of gravity and analytical understanding of strongly--coupled systems. The project contributed to advancing quantum theory of gravity by studying dynamics of black holes. A comprehensive analysis of excitations of rotating black holes in arbitrary dimensions has been performed, all solutions of Maxwell's equations as well as their generalizations to arbitrary p-forms in such backgrounds have been constructed, and a significant progress towards extension of these results to gravitational waves has been made. The project also advanced theoretical understanding of strongly-coupled theories by analyzing properties of exactly-solvable (integrable) models. A new method for solving dynamical equations for various fields in a large class of backgrounds without isometries has been developed, and this technique was used to extract spectra of supergravity modes in several integrable string theories. The analytical structure of large classes of integrable string theories has also been analyzed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

UV massive resonance from IR double copy consistency

From the perspective of effective field theory (EFT), Wilson coefficients of the low energy theory are determined by integrating out modes of the full ultraviolet (UV) theory. The spectrum can be in principle resummed if one has access to all available infrared (IR) coefficients at low energies. In this work we show that there exists a general class of consistent massive resonance double-copy (CMRDC) models where UV massive residues are reconstructed through double-copy consistency conditions between the IR Wilson coefficients of the full EFT expansion. Through a color-dual bootstrap, we find surprisingly that double-copy consistency alone introduces the kinematic factors of CMRDC models that soften high energy behavior by exponentiating color-dual contacts. This bootstrap suggests that our massive resonance paradigm is an inevitable consequence of the duality between color and kinematics, thereby providing a path towards emergent UV structure directly from the IR. We then demonstrate how CMRDC models can capture a spectrum of massive modes compatible with general multiplicity, and use Padé extrapolation to solve the inverse problem of identifying massive UV resonance from a small number of IR Wilson coefficients. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Quasinormal modes for non-minimally coupled scalar fields in regular black hole spacetimes: Grey-body factors, area spectrum and shadow radius

Black hole perturbation theory is a useful approach to study interactions between black holes and fundamental fields. A particular class of black hole solutions arising out of modification of Einstein’s general theory of relativity are regular black holes (RBHs) which can be constructed using a nonlinear electrodynamic Lagrangian. Because of their importance, we are interested in studying the behavior of three kinds of such RBHs under perturbations generated by an external field. Indeed, we investigate the quasinormal modes (QNMs) of a massive scalar field propagating near the RBHs which is non-minimally coupled to the Ricci scalar-tensor of background geometry. We will attempt to find the low-lying quasinormal frequencies of the perturbations by using WKB approximation. We shall also study the relationship between the QNMs and some characteristic properties of black holes such as grey-body factors, area quantization, and shadow radius.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Theory of spin waves in a hexagonal antiferromagnet

We construct a field-theoretic description of spin waves in hexagonal antiferromagnets with three magnetic sublattices and coplanar 120° magnetic order. The three Goldstone modes can be separated by point-group symmetry into a singlet α 0 and a doublet β. The α 0 singlet is described by the standard theory of a free relativistic scalar field. The field theory of the β doublet is analogous to the theory of elasticity of a two-dimensional isotropic solid with distinct longitudinal and transverse “speeds of sound.” The well-known Heisenberg models on the triangular and kagome lattices with nearest-neighbor exchange turn out to be special cases with accidental degeneracy of the spin-wave velocities. The speeds of sound can be readily calculated for any lattice model. We apply this approach to the compounds of the Mn 3 X family with stacked kagome layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Stout Smearing on a Quantum Computer

Smearing of gauge-field configurations in lattice field theory improves the results of lattice simulations by suppressing high energy modes from correlation functions. In quantum simulations, high kinetic energy eigenstates are introduced when the time evolution operator is approximated such as Trotterization. While improved Trotter product formulae exist to reduce the errors, they have diminishing accuracy returns with respect to resource costs. Therefore having an algorithm that has fewer resources than an improved Trotter formula is desirable. In this work I develop a representation agnostic method for quantum smearing and show that it reduces the coupling to high energy modes in the discrete nonabelian gauge theory $D_4$

Gustafson, Erik J.↗