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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Photoinduced enhancement of superconductivity in the plaquette Hubbard model

Real-time dynamics techniques have proven increasingly useful in theoretically and experimentally understanding strongly correlated systems. By employing unbiased time-resolved exact diagonalization, we study pump dynamics in the two-dimensional plaquette Hubbard model, where distinct hopping integrals t h and t' h are present within and between plaquettes. In the intermediate coupling regime, a significant enhancement of d-wave superconductivity is observed and compared with that obtained by simply examining expectation values with the eigenstates of the Hamiltonian. Furthermore, our work provides a further understanding of superconductivity in the Hubbard model, extends the description of the pairing amplitude to the frequency-anisotropy plane, and offers a promising approach for experimentally engineering emergent out-of-equilibrium states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Characterization and classification of interacting ( 2 + 1 )-dimensional topological crystalline insulators with orientation-preserving wallpaper groups

While free fermion topological crystalline insulators have been largely classified, the analogous problem in the strongly interacting case has been only partially solved. In this work, we develop a characterization and classification of interacting, invertible fermionic topological phases in (2+1) dimensions with charge conservation, discrete magnetic translation and M-fold point group rotation symmetries, which form the group G f = U(1) f × Φ [Z 2 $\rtimes$Z M ] for M = 1,2,3,4, and 6. Φ is the magnetic flux per unit cell. We derive a topological response theory in terms of background crystalline gauge fields, which gives a complete classification of different phases and a physical characterization in terms of quantized response to symmetry defects. We then derive the same classification in terms of a set of real space invariants {$Θ^±_o$} that can be obtained from ground state expectation values of suitable partial rotation operators. We explicitly relate these real space invariants to the quantized coefficients in the topological response theory, and find the dependence of the invariants on the chiral central charge c – of the invertible phase. Finally, when Φ = 0 we derive an explicit map between the free and interacting classifications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Double-domed temperature-pressure phase diagram of CePd 3 S 4

CePd 3 S 4 exhibits interplay between ferromagnetism (FM), quadrupolar order, and the Kondo effect at low temperatures with a FM transition temperature that is much higher than the value expected from the de Gennes scaling of the heavier RPd 3 S 4 compounds. In this work, we investigated the electrical transport and magnetic properties of CePd 3 S 4 under pressure up through 12 GPa so as to better understand the interplay between electronic and magnetic phases in this material. Our findings show that the low pressure FM state is suddenly replaced by a new magnetically ordered phase that is most likely antiferromagnetic that spans from ~ 7 GPa to ~ 11 GPa. Whereas this could be described as an example of avoided quantum criticality, given that clear changes in resistance and Hall data are detected near 6.3 GPa for all temperatures below 300 K, it is also possible that the change in ground state is a response to a pressure induced change in structure. Furthermore, the lack of any discernible change in the pressure dependence of the room temperature unit cell parameter/volume across this whole pressure range suggests that this change in structure is either more subtle than could be detected by our measurements (i.e. development of weak, new wave vector) or the transition is electronic (such as a Lifshitz transition).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Exploring magnetic anisotropy and robustness of the J eff = 1/2 state under substantial orthorhombic distortion in Sr 2 IrO 4 thin films

Here, we present a comprehensive study revealing the intricate interplay of the magnetic anisotropy and orthorhombic distortion in thin films of Sr 2 IrO 4 through a Ca 3 Ru 2 O 7 substrate. By inducing a pronounced orthorhombic distortion along the direction of oxygen octahedral edges, we effectively modulated the uniaxial magnetic anisotropy in the system. Remarkably divergent responses along the easy and hard magnetic axes were unveiled through x-ray magnetic circular dichroism (XMCD) measurements under magnetic fields. Specifically, the spin flop transition observed when the magnetic field aligns with the hard axis allows us to estimate the magnetic anisotropy energy, which is around 14.2 µeV, close to that estimated from the single magnon peak measured via Raman spectroscopy. The observed anisotropy energy remains notably lower than the linear estimates derived from the strain-anisotropy energy relationship outlined in H.-H. Kim et al., Nat. Commun. 13, 6674 (2022). This underscores the enduring preservation of the isotropic character of the J eff = 1/2 states. This is also supported by the negligible XMCD intensity ratio at the L 2 edge compared to that of the L 3 edge. Furthermore, the branching ratio determined from x-ray absorption spectroscopy shows that the expectation value of the spin-orbit coupling is similar to that of bulk Sr 2 IrO 4 single crystals. Our findings indicate that even under a substantial anisotropic biaxial distortion, Sr 2 IrO 4 remains remarkably proximate to the J eff = 1/2 state. This study not only provides valuable information in understanding the interplay between magnetic anisotropy and strain but also the robustness of the J eff = 1/2 state under octahedral distortion within materials exhibiting emergent quantum phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Long-range three-dimensional magnetic structures of the spin S =1 hexamer cluster fedotovite-like A 2 Cu 3 O ( SO 4 ) 3 ( A 2 = K 2 , NaK, Na 2 ): A neutron diffraction study

The crystal and magnetic structures of the spin S = 1 hexamer cluster fedotovite-like A 2 Cu 3 O(SO 4 ) 3 (A 2 = K 2 , NaK, Na 2 ) were studied by neutron powder diffraction at temperatures 1.6–290 K. The crystal structures in all compounds are well refined in the monoclinic space group C2/c. The basic magnetic units of the compounds are copper hexamers, which are coupled by weak superexchange interactions giving rise to three-dimensional long-range magnetic order below 3.0 < T N < 4.7 K. We have found that for A 2 = K 2 and NaK the propagation vector of the magnetic structure is k = [0,0,0], and the coupling of the Cu hexamers is ferromagnetic (FM) along the ab diagonal and antiferromagnetic along the bc diagonal. In contrast, for A = Na the propagation vector is k = [0,1,0], and the Cu hexamers are coupled antiferromagnetically (AFM) along the ab diagonal. Further, the hexamers are formed by three Cu pairs arranged along the b axis. The calculated spin expectation values $\langle s \rangle$ for the simplest symmetric spin Hamiltonian (obtained from inelastic neutron spectroscopy) of the isolated hexamers in the mean field amounted to $\langle s \rangle$ = 3/8 for the side spins Cu1 and Cu2 and $\langle s \rangle$ = 1/4 for Cu3 in the middle. The Cu spins are FM coupled in pairs and AFM between neighboring pairs. The experimental magnetic moments of the Cu 2+ ions turn out to be not completely collinear due to spin frustrations within the weak interhexamer interactions. The sizes of magnetic moments of Cu in the hexamers determined from the diffraction data are in fair agreement with the calculated values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Classical dynamics of the antiferromagnetic Heisenberg spin ladder

We employ a classical limit grounded in SU(4) coherent states to investigate the temperature-dependent dynamical spin structure factor of the S = 1/2 ladder consisting of weakly coupled dimers. By comparing the outcomes of this classical approximation with density matrix renormalization group and exact diagonalization calculations in finite size ladders, we demonstrate that the classical dynamics offers an accurate approximation across the entire temperature range when the interdimer coupling is weak and a good approximation in the high temperature regime even when the interdimer coupling is strong. This agreement is achieved after appropriately rescaling the temperature axis and renormalizing expectation values to satisfy a quantum sum rule. Here, we anticipate the method will be particularly effective when applied to 2D and 3D lattices composed of weakly-coupled dimers, situations that remain challenging for alternative numerical methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Scattering using real-time path integrals

Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While imaginary time treatments of scattering are possible, imaginary time is not a natural framework for treating scattering problems. More importantly, quantum algorithms for calculating path integrals require real-time evolution. Purpose: Here, we test a recently introduced method for performing direct calculations of scattering observables using real-time path integrals in order to understand the challenges facing real-time path integral calculations of scattering observables. Method: The computations are based on a new interpretation of the path integral as the expectation value of a potential functional on cylinder sets of continuous paths with respect to a complex probability distribution. The method can in principle be applied to arbitrary short-range potentials. Results: The method is applied to compute matrix elements of Møller wave operators applied to narrow wave packets. These are used to calculate half-shell sharp-momentum transition matrix elements for one-dimensional potential scattering. The calculations for half-shell transition operator matrix elements converge to the numerical solution of the Lippmann-Schwinger equation. Conclusions: This work presents a proof in principle that scattering observables can be computed using real-time Feynman path integrals. While the computational method is not efficient, it can be improved. It provides a laboratory for studying quantum computational algorithms that are applicable to scattering problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Zero-pairing and zero-temperature limits of finite-temperature Hartree-Fock-Bogoliubov theory

Recently, variational Hartree-Fock-Bogoliubov (HFB) mean-field equations were shown to possess a mathematically well-defined zero-pairing limit, independently of the closed- or open-shell character of the system under consideration. This limit is non-trivial for open-shell systems such that HFB theory does {\it not} reduce to the Hartree-Fock (HF) formalism in all cases. The present work extends this analysis to finite-temperature HFB (FTHFB) theory by investigating the behavior of this more general formalism in the combined zero-temperature and zero-pairing limits. The zero-pairing and zero-temperature limits of the FTHFB statistical density operator constrained to carry an arbitrary (integer) number of particles A on average is worked out analytically and realized numerically using a two-nucleon interaction. While the FTHFB density operator reduces to the projector corresponding to a pure HF Slater determinant for closed-shell nuclei, the FTHFB formalism does not reduce to the HF theory in all cases in the zero-temperature and zero-pairing limits, i.e. for open-shell nuclei. However, the fact that a nucleus can be of open-shell character in these joint limits is necessarily the result of some symmetry restrictions. Whenever it is the case, the non-trivial description obtained for open-shell systems is shown to depend on the order with which both limits are taken, i.e. the two limits do not commute for these systems. When the zero-temperature limit is performed first, the FTHFB density operator is demoted to a projector corresponding to a pure state made out of a linear combination of a finite number of Slater determinants with different (even) numbers of particles. When the zero-pairing limit is performed first, the FTHFB density operator remains a statistical mixture of a finite number of Slater determinants with both even and odd particle numbers. While the entropy (pairing density) is zero in the first (second) case, it does not vanish in the second (first) case in spite of the temperature (pairing) tending towards zero. The difference between both limits can have striking consequences for the (thermal) expectation values of observables. For instance, the particle-number variance does not vanish in either case and has limiting values that differ by a factor of two in both cases. In conclusion, while in the textbook situation associated with closed-shell nuclei Hartree-Fock-Bogoliubov (finite-temperature Hartree-Fock) theory reduces to Hartree-Fock theory in the zero-pairing (zero-temperature) limit, the present analysis demonstrates that a non trivial and unexpected limit is obtained for this formalism in open-shell systems. This result sheds a new light on certain aspects of this otherwise very well-studied many-body formalism.

20 ≤ A ≤ 38↗
DOE OSTI2022

Quantum computation of nuclear observables involving linear combinations of unitary operators

Here we present the quantum computation of nuclear observables where the operators of interest are first decomposed in terms of the linear combination of unitaries. Then we utilize the Hadamard test and the linear combination of unitaries based methods to compute the expectation values. We apply these methods to calculate the electric quadrupole moment of the deuteron. The results are compared for the Jordan-Wigner transformation and Gray code encoding. We discuss the versatility of our approach that can be utilized in general to calculate several observables on a quantum computer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Uncertainty-quantification-enabled inversion of nuclear responses

Nuclear quantum many-body methods rely on integral transform techniques to infer properties of electroweak response functions from ground-state expectation values. Retrieving the energy dependence of these responses is highly nontrivial, especially for quantum Monte Carlo methods, as it requires inverting the Laplace transform, a notoriously ill-posed problem. Here, in this work, we propose an artificial neural network architecture suitable for accurate response function reconstruction with precise estimation of the uncertainty of the inversion. We demonstrate the capabilities of this new architecture benchmarking it against maximum entropy and previously developed neural network methods designed for a similar task, paying particular attention to its robustness noise in the Euclidean

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Higgs troika for baryon asymmetry

To explain the baryon asymmetry of the Universe, we extend the Standard Model (SM) with two additional Higgs doublets with small vacuum expectation values. The additional Higgs fields interact with SM fermions through complex Yukawa couplings, leading to new sources of $CP$ violation. We propose a simple flavor model with $\mathcal{O}$(1) or less Yukawa couplings for quarks and charged leptons, consistent with current flavor constraints. To generate neutrino masses and the baryon asymmetry, right-handed neutrinos in the ~ 0.1 - 10 TeV range couple to the "Higgs Troika." The new Higgs doublet masses are at or above the TeV scale, allowing for asymmetric decays into SM lepton doublets and right-handed neutrinos. The asymmetry in lepton doublets is then processed into a baryon asymmetry, similar to leptogenesis. Since the masses of the new fields could be near the TeV scale, there is potentially a rich high energy collider phenomenology, including observable deviations in the 125 GeV Higgs decay into muons and taus, as well as detectable low energy signals such as the electron EDM or $µ → eγ$. Hence, this is in principle a testable model for generation of baryon asymmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Using SPT polarization, Planck 2015, and non-CMB data to constrain tilted spatially-flat and untilted nonflat ΛCDM, XCDM, and ΦCDM dark energy inflation cosmologies

We use six tilted spatially-flat and untilted non-flat dark energy cosmological models in analyses of South Pole Telescope polarization (SPTpol) cosmic microwave background (CMB) data, alone and in combination with Planck 2015 CMB data and non-CMB data, namely, the Pantheon Type Ia supernovae apparent magnitudes, a collection of baryon acoustic oscillation data points, Hubble parameter measurements, and growth rates. Although the cosmological models that best-fit the Planck CMB and non-CMB data do not provide good fits to the SPTpol data, with the χ2's exceeding the expected value, given the uncertainties, in each model the cosmological parameter constraints from the SPTpol data and from the Planck CMB and non-CMB data are largely mutually consistent. Furthermore, when the smaller angular scale SPTpol data are used jointly with either the Planck data alone or with the Planck CMB and the non-CMB data to constrain untilted non-flat models, spatially-closed models remain favored over their corresponding flat limits. When used in conjunction with Planck data, non-CMB data (baryon acoustic oscillation measurements in particular, from six experiments) have significantly more constraining power than the SPTpol data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Metropolis-style random sampling of quantum gates for the estimation of low-energy observables

In this work, we propose a quantum algorithm to compute low-energy expectation values of a quantum Hamiltonian by sampling a partition function associated with the average energy of that Hamiltonian. For any given quantum circuit-Hamiltonian pair, there is an associated average energy. The sampling is done through an accept/reject Metropolis-style algorithm on the quantum gates of the circuit itself. Observables calculated under the canonical ensemble from these samples of circuits are extrapolated from higher energies to the ground state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Quenching factor measurements of neon nuclei in neon gas

The NEWS-G collaboration uses spherical proportional counters (SPCs) to search for weakly interacting massive particles (WIMPs). Here, in this paper, we report the first measurements of the nuclear quenching factor in neon gas at 2 bar using an SPC deployed in a neutron beam at the TUNL facility. The energy-dependence of the nuclear quenching factor is modeled using a simple power law: $αE^{β}_{nr}$; we determine its parameters by simultaneously fitting the data collected with the detector over a range of energies. We measured the following parameters in Ne : CH 4 at 2 bar: α= 0.2801±0.0050 (fit) ±0.0045 (sys) and β=0.0867±0.020 (fit) ±0.006 (sys). Our measurements do not agree with expected values from SRIM or Lindhard theory. We demonstrated the feasibility of performing quenching factor measurements at sub-keV energies in gases using SPCs and a neutron beam.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Dark energy with a triplet of classical U(1) fields

Here, we present a new mechanism for cosmic acceleration consisting of a scalar field coupled to a triplet of classical U(1) gauge fields. The gauge fields are arranged in a homogeneous, isotropic configuration, with both electric- and magneticlike vacuum expectation values. The gauge fields provide a masslike term via a Chern-Simons interaction that suspends the scalar away from its potential minimum, thereby enabling potential-dominated evolution. We show this mechanism can drive a brief period of acceleration, such as dark energy, without the need for fine-tunings. We obtain simple analytic results for the dark energy equation of state and dependence on model parameters. In this model, the presence of the gauge field generically leads to a suppression of long-wavelength gravitational waves, with implications for the experimental search for cosmic microwave background B modes and direct detection of a stochastic gravitational wave background.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Current data are consistent with flat spatial hypersurfaces in the Λ CDM cosmological model but favor more lensing than the model predicts

Here, we study the performance of three pairs of tilted, and a pair of untilited, ΛCDM cosmological models, with three of these four pairs allowing for non-flat spatial hypersurfaces, against cosmic microwave background (CMB) temperature and polarization power spectrum data (P18), measurements of the Planck 2018 lensing potential power spectrum (lensing), and a large compilation of non-CMB data (non-CMB). For the eight models, we measure cosmological parameters and study whether or not pairs of the data sets (as well as subsets of them) are mutually consistent in these models. Half of these models allow the lensing consistency parameter A L , which re-scales the gravitational potential power spectrum, to be an additional free parameter to be determined from data, while the other three have A L = 1 which is the theoretically expected value. The pair of untilted non-flat ΛCDM models are incompatible with P18 data. The tilted spatially-flat models assume the usual primordial spatial inhomogeneity power spectrum that is a power law in wave number. The tilted non-flat models assume either the primordial power spectrum used in the Planck group anal yses [Planck P(q)], that has recently been numerically shown to be a good approximation to what is quantum-mechanically generated from a particular choice of closed inflation model initial conditions, or a recently computed power spectrum [new P(q)] that quantum-mechanically follows from a different set of non-flat inflation model initial conditions. In the tilted non-flat models with A L = 1 we find differences between P18 data and non-CMB data cosmological parameter constraints, which are large enough to rule out the Planck P(q) model at 3σ but not the new P(q) model. No significant differences are found when cosmological parameter constraints obtained with two different data sets are compared within the standard tilted flat ΛCDM model. While both P18 data and non-CMB data separately favor a closed geometry, with spatial curvature density parameter Ω k < 0, when P18+non-CMB data are jointly analyzed the evidence in favor of non-flat hypersurfaces subsides. Differences between P18 data and non-CMB data cosmological constraints subside when A L is allowed to vary. From the most restrictive P18+lensing+non-CMB data combination we get almost model-independent constraints on the cosmological parameters and find that the A L > 1 option is preferred over the Ω k < 0 one, with the A L parameter, for all models, being larger than unity by ~ 2.5σ. According to the deviance information criterion, in the P18+lensing+non-CMB analysis, the varying A L option is on the verge of being strongly favored over the A L = 1 one, which could indicate a problem for the standard tilted flat ΛCDM model. These data are consistent with flat spatial hypersurfaces but more and better data could improve the constraints on Ω k and might alter this conclusion. Error bars on some cosmological parameters are significantly reduced when non-CMB data are used jointly with P18+lensing data. For example, in the tilted flat ΛCDM model for P18+lensing+non-CMB data the Hubble constant H 0 = 68.09 ± 0.38 km s -1 Mpc -1 , which is consistent with that from a median statistics analysis of a large compilation of H 0 measurements as well as with a number of local measurements of the cosmological expansion rate. This H 0 error bar is 31% smaller than that from P18+lensing data alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Quantum computing for heavy quarkonium spectroscopy

Here, we report a first demonstration for the application of quantum computing to heavy quarkonium spectroscopy study. Based on a Cornell-potential model for the heavy quark and antiquark system, we show how this Hamiltonian problem can be formulated and solved with the variational quantum eigensolver (VQE) approach on the IBM cloud quantum computing platform. Errors due to a global depolarizing noise channel are corrected with a zero-noise extrapolation method, resulting in good agreement with the expected value. We also generalize the VQE method for solving excited states by orthogonalization with respect to the ground state. This new approach is demonstrated to be successful for the quarkonium system on a noiseless quantum simulator and can easily be adapted for solving similar excited state problems in many other physical systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

First simultaneous global QCD analysis of dihadron fragmentation functions and transversity parton distribution functions

We perform a comprehensive study within quantum chromodynamics (QCD) of dihadron observables in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, including recent cross section data from Belle and azimuthal asymmetries from STAR. We extract simultaneously for the first time π + π − dihadron fragmentation functions (DiFFs) and the nucleon transversity distributions for up and down quarks as well as antiquarks. For the transversity distributions we impose their small- x asymptotic behavior and the Soffer bound. In addition, we utilize a new definition of DiFFs that has a number density interpretation to then calculate expectation values for the dihadron invariant mass and momentum fraction. Furthermore, we investigate the compatibility of our transversity results with those from single-hadron fragmentation (from a transverse momentum dependent/collinear twist-3 framework) and the nucleon tensor charges computed in lattice QCD. We find a universal nature to all of this available information. Future measurements of dihadron production can significantly further this research, especially, as we show, those that are sensitive to the region of large parton momentum fractions. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗