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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Photon-dark photon conversions in extreme background electromagnetic fields

The mixing of photons with light pseudoscalars in the presence of external electromagnetic fields has been used extensively to search for axion-like-particles. A similar effect for dark photon propagating states is usually not considered due to the Landau-Yang theorem. We point out that mixing between photon and dark photon propagating states in background electromagnetic fields can indeed occur, in non-linear QED, through a four-photon vertex by integrating out the electron box diagram. Starting from the Schwinger Lagrangian, we derive the equations of motion for dark photons interacting with the Standard Model photon through gauge kinetic terms. We provide expressions for the perpendicular and parallel refractive indices in series expansions in the critical field strength, valid both in the strong and weak background field limits. We then consider mixing between the photon-dark photon propagating system in the presence of pure electric and magnetic background fields, and work out the probability of conversion when the background fields are homogeneous. We indicate outlines of the calculation in the inhomogeneous case, and finally express our results in the active-sterile basis, where we find that the mixing induced by background fields can lead to corrections to the tree-level mixing in the zero field limit that is usually considered to probe such systems. Our results may find applications for probing photon-dark photon conversions in the vicinity of neutron stars and in table-top petawatt laser experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Transfer matrix computation of critical polynomials for two-dimensional Potts models

We showed, In our previous work, that critical manifolds of the q-state Potts model can be studied by means of a graph polynomial P B (q, v), henceforth referred to as the critical polynomial. This polynomial may be defined on any periodic two-dimensional lattice. It depends on a finite subgraph B, called the basis, and the manner in which B is tiled to construct the lattice. The real roots v = e K — 1 of P B (q, v) either give the exact critical points for the lattice, or provide approximations that, in principle, can be made arbitrarily accurate by increasing the size of B in an appropriate way. In earlier work, P B (q, v) was defined by a contraction-deletion identity, similar to that satisfied by the Tutte polynomial. Here, we give a probabilistic definition of P B (q, v), which facilitates its computation, using the transfer matrix, on much larger B than was previously possible.We present results for the critical polynomial on the (4, 8 2 ), kagome, and (3, 12 2 ) lattices for bases of up to respectively 96, 162, and 243 edges, compared to the limit of 36 edges with contraction-deletion. We discuss in detail the role of the symmetries and the embedding of B. The critical temperatures v c obtained for ferromagnetic (v > 0) Potts models are at least as precise as the best available results from Monte Carlo simulations or series expansions. For instance, with q = 3 we obtain v c (4, 8 2 ) = 3.742 489 (4), v c (kagome) = 1.876 459 7 (2), and v c (3, 12 2 ) = 5.033 078 49 (4), the precision being comparable or superior to the best simulation results. More generally, we trace the critical manifolds in the real (q, v) plane and discuss the intricate structure of the phase diagram in the antiferromagnetic (v < 0) region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Low-temperature breakdown of many-body perturbation theory for thermodynamics

It is shown analytically and numerically that the finite-temperature many-body perturbation theory in the grand canonical ensemble has zero radius of convergence at zero temperature when the energy ordering or degree of degeneracy for the ground state changes with the perturbation strength. When the degeneracy of the reference state is partially or fully lifted at the first-order Hirschfelder-Certain degenerate perturbation theory, the grand potential and internal energy diverge as T → 0. Contrary to earlier suggestions of renormalizability by the chemical potential μ, this nonconvergence, first suspected by W. Kohn and J. M. Luttinger, is caused by the nonanalytic nature of the Boltzmann factor e –E/k e T at T = 0, also plaguing the canonical ensemble, which does not involve chemical potential. The finding reveals a fundamental flaw in perturbation theory, which is deeply rooted in the mathematical limitation of power-series expansions and is unlikely to be removed within its framework.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Superradiant phase in field-matter interactions

We show that semiclassical states adapted to the symmetry of the Hamiltonian are an excellent approximation to the exact quantum solution of the ground and first excited states of the Dicke model. Their overlap with the exact quantum states is very close to 1 except in a close vicinity of the quantum phase transition. Furthermore, they have analytic forms in terms of the model parameters and allow us to calculate analytically the expectation values of field and matter observables. Some of these differ considerably from results obtained via the standard coherent states and by means of Holstein-Primakoff series expansion of the Dicke Hamiltonian. Comparison with exact solutions obtained numerically supports our results. In particular, it is shown that the expectation values of the number of photons and of the number of excited atoms have no singularities at the phase transition. We comment on why other authors have previously found otherwise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Thermal tensor renormalization group simulations of square-lattice quantum spin models

In this work, we benchmark the well-controlled and numerically accurate exponential thermal tensor renormalization group (XTRG) in the simulation of interacting spin models in two dimensions. Finite temperature introduces a finite thermal correlation length ξ, such that for system sizes L >> ξ finite-size calculations actually simulate the thermodynamic limit. Here in this paper, we focus on the square lattice Heisenberg antiferromagnet (SLH) and quantum Ising models (QIM) on open and cylindrical geometries up to width W = 10 . We explore various one-dimensional mapping paths in the matrix product operator (MPO) representation, whose performance is clearly shown to be geometry dependent. We benchmark against quantum Monte Carlo (QMC) data, yet also the series-expansion thermal tensor network results. Thermal properties including the internal energy, specific heat, and spin structure factors, etc. are computed with high precision, obtaining excellent agreement with QMC results. XTRG also allows us to reach remarkably low temperatures. For SLH, we obtain an energy per site u$^*_g$ ≃ -0.6694 (4) and a spontaneous magnetization m$^*_S$ ≃ 0.30 ( 1 ) already consistent with the ground-state properties, which is obtained from extrapolated low-T thermal data on W ≤ 8 cylinders and W ≤ 10 open strips, respectively. We extract an exponential divergence versus T of the structure factor S (M), as well as the correlation length ξ, at the ordering wave vector M = ($π,π$) , which represents the renormalized classical behavior and can be observed over a narrow but appreciable temperature window, by analyzing the finite-size data by XTRG simulations. For the QIM with a finite-temperature phase transition, we employ several thermal quantities, including the specific heat, Binder ratio, as well as the MPO entanglement to determine the critical temperature $T_c$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Z 2 topological order and first-order quantum phase transitions in systems with combinatorial gauge symmetry

We study a generalization of the two-dimensional transverse-field Ising model, combining both ferromagnetic and antiferromagnetic two-body interactions, that hosts exact global and local Z 2 gauge symmetries. Using exact diagonalization and stochastic series expansion quantum Monte Carlo methods, we confirm the existence of the topological phase in line with previous theoretical predictions. Our simulation results show that the transition between the confined topological phase and the deconfined paramagnetic phase is of first order, in contrast to the conventional Z 2 lattice gauge model in which the transition maps onto that of the standard Ising model and is continuous. We further generalize the model by replacing the transverse field on the gauge spins with a ferromagnetic X X interaction while keeping the local gauge symmetry intact. We find that the Z 2 topological phase remains stable, while the paramagnetic phase is replaced by a ferromagnetic phase. The topological-ferromagnetic quantum phase transition is also of first order. For both models, we discuss the low-energy spinon and vison excitations of the topological phase and their avoided level crossings associated with the first-order quantum phase transitions.

2-dimensional systems↗
DOE OSTI2022

Generalized quasiharmonic approximation via space group irreducible derivatives

The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for interacting phonons under constant pressure, bringing the effects of anharmonicity into temperature-dependent observables. Nonetheless, the QHA is often implemented with additional approximations due to the complexity of computing phonons under arbitrary strains, and the generalized QHA, which employs constant stress boundary conditions, has not been completely developed. In this work we formulate the generalized QHA, providing a practical algorithm for computing the strain state and other observables as a function of temperature and true stress. We circumvent the complexity of computing phonons under arbitrary strains by employing irreducible second-order displacement derivatives of the Born-Oppenheimer potential and their strain dependence, which are efficiently and precisely computed using the lone irreducible derivative approach. We formulate two complementary strain parametrizations: a discretized strain grid interpolation and a Taylor series expansion in symmetrized strain. We illustrate our approach by evaluating the temperature and pressure dependence of select elastic constants and the thermal expansion in thoria (ThO 2 ) using density functional theory with three exchange-correlation functionals. The QHA results are compared to our measurements of the elastic constant tensor using time-domain Brillouin scattering and inelastic neutron scattering. Our irreducible derivative approach simplifies the implementation of the generalized QHA, which will facilitate reproducible, data-driven applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nonlinear magnons and exchange Hamiltonians of the delafossite proximate quantum spin liquid candidates KYbSe 2 and NaYbSe 2

Quantum spin liquids (QSLs) are theoretical states of matter with long-range entanglement and exotic quasiparticles. However, they generally elude quantitative theory, rendering their underlying phases mysterious and hampering efforts to identify experimental QSL states. Here we study triangular-lattice resonating-valence-bond QSL candidate materials KYbSe 2 and NaYbSe 2 . We measure the magnon modes in their 1/3 plateau phase, where quantitative theory is tractable, using inelastic neutron scattering and fit them using nonlinear spin wave theory. We also fit the KYbSe 2 heat capacity using high-temperature series expansion. Both KYbSe 2 fits yield the same magnetic Hamiltonian to within uncertainty, confirming previous estimates and showing the Heisenberg ratio J 2 / J 1 to be an accurate model for these materials. Most importantly, comparing KYbSe 2 and NaYbSe 2 shows that the smaller A -site Na + ion has a larger J 2 / J 1 ratio. However, hydrostatic pressure applied to KYbSe 2 increases the ordering temperature (a result consistent with density functional theory calculations), indicating that pressure decreases J 2 / J 1 . In conclusion, these results show how the periodic table and hydrostatic pressure can tune the A YbSe 2 materials in a controlled way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum magnetism in the frustrated square lattice oxyhalides YbBi 2 IO 4 and YbBi 2 ClO 4

Square-lattice systems offer a direct route for realizing two-dimensional (2D) quantum magnetism with frustration induced by competing interactions. In this work, the square lattice materials YbBi 2 IO 4 and YbBi 2 ClO 4 were investigated using a combination of magnetization and specific-heat measurements on polycrystalline samples. Specific-heat measurements provide evidence for long-range magnetic order below $T$ N = 0.21 K (0.25 K) for YbBi 2 IO 4 (YbBi 2 ClO 4 ). On the other hand, a rather broad maximum is found in the temperature-dependent magnetic susceptibility, located at $T$ max = 0.33 K (0.38 K) in YbBi 2 IO 4 (YbBi 2 ClO 4 ), consistent with the quasi-2D magnetism expected for the large separation between the magnetic layers. Estimation of the magnetic entropy supports the expected Kramers' doublet ground state for Yb 3+ and the observed paramagnetic behavior is consistent with a well-isolated doublet. Roughly two-thirds of the entropy is consumed above $T$ N , due to a combination of the quasi-2D behavior and magnetic frustration. The impact of frustration is examined from the viewpoint of a simplified $J$ 1 -$J$ 2 square lattice model, which is frustrated for antiferromagnetic interactions. Specifically, a high-temperature series expansion analysis of the temperature-dependent specific-heat and magnetization data yields $J$ 2 /$J$ 1 = 0.30 (=0.23) for YbBi 2 IO 4 (YbBi 2 ClO 4 ). In conclusion, this simplified analysis suggests strong frustration that should promote significant quantum fluctuations in these compounds, and thus motivates future work on the static and dynamic magnetic properties of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Chebyshev polynomial representation of imaginary-time response functions

Problems of finite-temperature quantum statistical mechanics can be formulated in terms of imaginary (Euclidean) -time Green's functions and self-energies. In the context of realistic Hamiltonians, the large energy scale of the Hamiltonian (as compared to temperature) necessitates a very precise representation of these functions. In this paper, we explore the representation of Green's functions and self-energies in terms of a series of Chebyshev polynomials. Here we show that many operations, including convolutions, Fourier transforms, and the solution of the Dyson equation, can straightforwardly be expressed in terms of the series expansion coefficients. We then compare the accuracy of the Chebyshev representation for realistic systems with the uniform-power grid representation, which is most commonly used in this context.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Legendre analysis of differential distributions in hadronic reactions

Modern experimental facilities have provided a tremendous volume of reaction data, often with wide energy and angular coverage, and with increasing precision. For reactions with two hadrons in the final state, these data are often presented as multiple sets of panels, with angular distributions at numerous specific energies. Such presentations have limited visual appeal, and their physical content is typically extracted through some model-dependent treatment. Instead, we explore in this paper the use of a Legendre series expansion with a relatively small number of essential coefficients. This approach has been applied in several recent experimental investigations. Finally, we present some general properties of the Legendre coefficients in the helicity framework and consider what physical information can be extracted without any model-dependent assumptions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Measurements of the branching fractions of semileptonic D s + decays via e + e − → D s * + D s * −

We measure the absolute branching fractions of semileptonic D s + decays via the e + e − → D s * + D s * − process using e + e − collision data corresponding to an integrated luminosity of 10.64 fb − 1 collected by the BESIII detector at center-of-mass energies between 4.237 and 4.699 GeV. The branching fractions are B ( D s + → η e + ν e ) = ( 2.35 ± 0.11 stat ± 0.10 syst ) % , B ( D s + → η ′ e + ν e ) = ( 0.82 ± 0.09 stat ± 0.04 syst ) % , B ( D s + → ϕ e + ν e ) = ( 2.21 ± 0.16 stat ± 0.11 syst ) % , B ( D s + → f 0 ( 980 ) e + ν e , f 0 ( 980 ) → π + π − ) = ( 0.15 ± 0.02 stat ± 0.01 syst ) % , B ( D s + → K 0 e + ν e ) = ( 0.24 ± 0.0 4 stat ± 0.0 1 syst ) % , and B ( D s + → K * 0 e + ν e ) = ( 0.19 ± 0.0 3 stat ± 0.0 1 syst ) % . These results are consistent with those measured via the e + e − → D s * ± D s ∓ process by BESIII and CLEO. Using two-parameter series expansion, the hadronic transition form factors of D s + → η e + ν e , D s + → η ′ e + ν e , and D s + → K 0 e + ν e are determined to be f + η ( 0 ) = 0.442 ± 0.02 2 stat ± 0.01 7 syst , f + η ′ ( 0 ) = 0.557 ± 0.06 2 stat ± 0.02 4 syst , and f + K 0 ( 0 ) = 0.677 ± 0.09 8 stat ± 0.02 3 syst . Published by the American Physical Society 2024

Ablikim, M.↗
DOE OSTI2018

Large-scale structure perturbation theory without losing stream crossing

Here, we suggest an approach to perturbative calculations of large-scale clustering in the Universe that includes from the start the stream crossing (multiple velocities for mass elements at a single position) that is lost in traditional calculations. Starting from a functional integral over displacement, the perturbative series expansion is in deviations from (truncated) Zel’dovich evolution, with terms that can be computed exactly even for stream-crossed displacements. We evaluate the one-loop formulas for displacement and density power spectra numerically in 1D, finding dramatic improvement in agreement with N-body simulations compared to the Zel’dovich power spectrum (which is exact in 1D up to stream crossing). Beyond 1D, our approach could represent an improvement over previous expansions even aside from the inclusion of stream crossing, but we have not investigated this numerically. In the process we show how to achieve effective-theory-like regulation of small-scale fluctuations without free parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Magnetic Excitations and Electronic Interactions in Sr 2 CuTeO 6 : A Spin- 1 / 2 Square Lattice Heisenberg Antiferromagnet

Sr 2 CuTeO 6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S = 1/2 Cu 2+ ions. In this study, we employ ab initio multireference configuration interaction calculations to unravel the Cu 2+ electronic structure and to evaluate exchange interactions in Sr 2 CuTeO 6 . The latter results are validated by inelastic neutron scattering using linear spin-wave theory and series-expansion corrections for quantum effects to extract true coupling parameters. Lastly, using this methodology, which is quite general, we demonstrate that Sr 2 CuTeO 6 is an almost ideal realization of a nearest-neighbor Heisenberg antiferromagnet but with relatively weak coupling of 7.18(5) meV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Convergence of Eigenvector Continuation

Eigenvector continuation is a computational method that finds the extremal eigenvalues and eigenvectors of a Hamiltonian matrix with one or more control parameters. It does this by projection onto a subspace of eigenvectors corresponding to selected training values of the control parameters. The method has proven to be very efficient and accurate for interpolating and extrapolating eigenvectors. However, almost nothing is known about how the method converges, and its rapid convergence properties have remained mysterious. In this Letter, we present the first study of the convergence of eigenvector continuation. In order to perform the mathematical analysis, we introduce a new variant of eigenvector continuation that we call vector continuation. We first prove that eigenvector continuation and vector continuation have identical convergence properties and then analyze the convergence of vector continuation. Our analysis shows that, in general, eigenvector continuation converges more rapidly than perturbation theory. The faster convergence is achieved by eliminating a phenomenon that we call differential folding, the interference between nonorthogonal vectors appearing at different orders in perturbation theory. From our analysis we can predict how eigenvector continuation converges both inside and outside the radius of convergence of perturbation theory. Further, while eigenvector continuation is a nonperturbative method, we show that its rate of convergence can be deduced from power series expansions of the eigenvectors. Our results also yield new insights into the nature of divergences in perturbation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Observation of D s + → η ′ μ + ν μ , Precision Test of Lepton Flavor Universality with D s + → η ( ′ ) l + ν l , and First Measurements of D s + → η ( ′ ) μ + ν μ Decay Dynamics

By analyzing 7.33 fb − 1 of e + e − annihilation data collected at center-of-mass energies between 4.128 and 4.226 GeV with the BESIII detector, we report the observation of the semileptonic decay D s + → η ′ μ + ν μ , with a statistical significance larger than 10 σ , and the measurements of the D s + → η μ + ν μ and D s + → η ′ μ + ν μ decay dynamics for the first time. The branching fractions of D s + → η μ + ν μ and D s + → η ′ μ + ν μ are determined to be ( 2.235 ± 0.05 1 stat ± 0.05 2 syst ) % and ( 0.801 ± 0.05 5 stat ± 0.02 8 syst ) % , respectively, with precision improved by factors of 6.0 and 6.6 compared to the previous best measurements. Combined with the results for the decays D s + → η e + ν e and D s + → η ′ e + ν e , the ratios of the decay widths are examined both inclusively and in several ℓ + ν ℓ four-momentum transfer ranges. No evidence for lepton flavor universality violation is found within the current statistics. The products of the hadronic form factors f + , 0 η ( ′ ) ( 0 ) and the c → s Cabibbo-Kobayashi-Maskawa matrix element | V c s | are determined. The results based on the two-parameter series expansion are f + , 0 η ( 0 ) | V c s | = 0.452 ± 0.01 0 stat ± 0.00 7 syst and f + , 0 η ′ ( 0 ) | V c s | = 0.504 ± 0.03 7 stat ± 0.01 2 syst , which help to constrain present models on f + , 0 η ( ′ ) ( 0 ) . The forward-backward asymmetries are determined to be ⟨ A FB η ⟩ = − 0.059 ± 0.03 1 stat ± 0.00 5 syst and ⟨ A FB η ′ ⟩ = − 0.064 ± 0.07 9 stat ± 0.00 6 syst for the first time, which are consistent with the theoretical calculation. Published by the American Physical Society 2024

Physics↗