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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Charge singlets and orbital-selective charge density wave transitions

The possibility of “orbitally selective Mott transitions” within a multiband Hubbard model, in which one orbital with large on-site electron-electron repulsion U 1 is insulating and another orbital, to which it is hybridized, with small U –1 , is metallic, is a problem of long-standing debate and investigation. In this paper we study an analogous phenomenon, the coexistence of metallic and insulating bands in a system of orbitals with different electron-phonon coupling. To this end, we examine two variants of the bilayer Holstein model: a uniform bilayer and a “Holstein-metal interface” where the electron-phonon coupling, λ, is zero in the “metallic” layer. In the uniform bilayer Holstein model, charge density wave (CDW) order dominates at small interlayer hybridization t 3 , but decreases and eventually vanishes as t 3 grows, providing a charge analog of singlet (spin liquid) physics. In the interface case, we show that CDW order penetrates into the metal layer and forms long-range CDW order at an intermediate ratio of inter- to intralayer hopping strengths, 1.4 ≲ t 3 /t ≲ 3.4. Furthermore, this is consistent with the occurrence of an “orbitally selective CDW” regime at weak t3 in which the layer with λ 1 ≠ 0 exhibits long-range charge order, but the “metallic layer” with λ –1 = 0, to which it is hybridized, does not.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Mixture of Tonks-Girardeau gas and Fermi gas in one-dimensional optical lattices

We study the Bose-Fermi mixture with infinite boson-boson repulsion and finite boson-fermion repulsion. Using a generalized Jordan-Wigner transformation, we show that the system can be mapped to a repulsive Hubbard model and thus can be solved exactly for the case with equal boson and fermion masses. Using the Bethe-ansatz solutions, we investigate the ground-state properties of the mixture system. Our results indicate that the system with commensurate filling n=1 is a charge insulator but still a superfluid with nonvanishing superfluid density. We also briefly discuss the case with unequal boson and fermion masses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Low-energy dynamics of spinor condensates

We present a derivation of the low-energy Lagrangian governing the dynamics of the spin degrees of freedom in a spinor Bose condensate for any phase in which the average magnetization vanishes. This includes all phases found within mean-field treatments except for the ferromagnet for which the low-energy dynamics has been discussed previously. The Lagrangian takes the form of a sigma model for the rotation matrix describing the local orientation of the spin state of the gas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Trapped ultracold bosons in periodically modulated lattices

Motivated by the recent rapid development of the field of quantum gases in optical lattices, we present a comprehensive study of the spectrum of ultracold atoms in a one-dimensional optical lattice subjected to a periodic lattice modulation. Using the time-dependent density matrix renormalization group method, we study the dynamical response due to lattice modulations in different quantum phases of the system with varying density. For the Mott-insulating state, we identify several excitation processes, which provide important information about the density profile of the gases. For the superfluid, the dynamical response can be well described in a local density approximation. This simplification can be valuable in understanding the strong-correlated superfluid in a slow-varying harmonic potential. All these spectroscopic features of an inhomogeneous system can be used as a test for the validity of the Bose-Hubbard model in a parabolic trapping potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Nanoscale functionalized superconducting transport channels as photon detectors

Herein, single-photon detectors have typically consisted of macroscopic materials where both the photon absorption and transduction to an electrical signal happen. Newly proposed designs suggest that large arrays of nanoscale detectors could provide improved performance in addition to decoupling the absorption and transduction processes. Here we study the properties of such a detector consisting of a nanoscale superconducting (SC) transport channel functionalized by a photon absorber. We explore two detection mechanisms based on photoinduced electrostatic gating and magnetic effects. To this end we model the narrow channel as a one-dimensional atomic chain and use a self-consistent Keldysh-Nambu Green's function formalism to describe nonequilibrium effects and SC phenomena. We consider cases where the photon creates electrostatic and magnetic changes in the absorber, as well as devices with strong and weak coupling to the metal leads. Our results indicate that the most promising case is when the SC channel is weakly coupled to the leads and in the presence of a background magnetic field, where photoexcitation of a magnetic molecule can trigger a SC-to-normal transition in the channel that leads to a change in the device current several times larger than in the case of a normal-phase channel device.

1-dimensional systems↗
DOE OSTI2023

Electrostatic modulation of the lateral carrier density profile in field effect devices with nonlinear dielectrics

The properties of two-dimensional (2D) electronic systems are often effectively controlled using electrostatic gating. The geometry of such field effect devices influences the effectiveness of the gate and the carrier density profile in the 2D device. Here, in this work, we analyze the gate-induced spatial variations in the lateral carrier density in patterned LaAlO 3 /SrTiO 3 devices. We model the electrostatics of the 2D interface using the Thomas-Fermi approximation and compute the gate-induced charge distribution at the interface. We show that the electric field lines generated by the gate are focused at the edges of the device, causing an increased depletion near its edges. This effect is accentuated in LaAlO 3 /SrTiO 3 due to the large, nonlinear dielectric constant of the substrate, and the large distance between the gate electrode and the interface. We experimentally demonstrate one consequence of this effect by directly imaging current distributions in gated heterostructures, finding that insulating regions nucleate at the edges of the device due to the gate. Our results suggest that device geometry and choice of dielectric materials control the charge distribution in 2D systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Intertwined superfluidity and density wave order in a p -orbital Bose condensate

We study a continuum model of the weakly interacting Bose gas in the presence of an external field with minima forming a triangular lattice. The second lowest band of the single-particle spectrum ( p band) has three minima at nonzero momenta. We consider a metastable Bose condensate at these momenta and find that, in the presence of interactions that vary slowly over the lattice spacing, the order parameter space is isomorphic to S 5 . We show that the enlarged symmetry leads to the loss of topologically stable vortices, as well as two extra gapless modes with quadratic dispersion. Here, the former feature implies that this non-Abelian condensate is a “failed superfluid” that does not undergo a Berezinskii-Kosterlitz-Thouless (BKT) transition. Order-by-disorder splitting appears suppressed, implying that signatures of the S 5 manifold ought to be observable at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Complex orders and chirality in the classical Kitaev-Γ model

It is well recognized that the low-energy physics of many Kitaev materials is governed by two dominant energy scales, the Ising-type Kitaev coupling 𝐾 and the symmetric off-diagonal Γ coupling. An understanding of the interplay between these two scales is therefore the natural starting point toward a quantitative description that includes subdominant perturbations that are inevitably present in real materials. This study focuses on the classical 𝐾−Γ model on the honeycomb lattice, with a specific emphasis on the region 𝐾< 0 and Γ > 0 , which is the most relevant for the available materials and which remains enigmatic in both quantum and classical limits, despite much effort. We employ large-scale Monte Carlo simulations on specially designed finite-size clusters and unravel the presence of a complex multisublattice magnetic order in a wide region of the phase diagram, whose structure is characterized in detail. We show that this order can be quantified in terms of a coarse-grained scalar-chirality order, featuring a counterrotating modulation on the two spin sublattices. Here, we also provide a comparison to previous studies and discuss the impact of quantum fluctuations on the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

INVESTIGATING SUPERCONDUCTIVITY IN NEUTRON STAR INTERIORS WITH GLITCH MODELS

The high-density interior of a neutron star is expected to contain superconducting protons and superfluid neutrons. Theoretical estimates suggest that the protons will form a type II superconductor in which the stellar magnetic field is carried by flux tubes. The strong interaction between the flux tubes and the neutron rotational vortices could lead to strong ''pinning'', i.e., vortex motion could be impeded. This has important implications especially for pulsar glitch models as it would lead to a large part of the vorticity of the star being decoupled from the ''normal'' component to which the electromagnetic emission is locked. In this Letter, we explore the consequences of strong pinning in the core on the ''snowplow'' model for pulsar glitches, making use of realistic equations of state and relativistic background models for the neutron star. We find that, in general, a large fraction of the pinned vorticity in the core is not compatible with observations of giant glitches in the Vela pulsar. Thus, the conclusion is that either most of the core is in a type I superconducting state or the interaction between vortices and flux tubes is weaker than previously assumed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Moment method and continued fraction expansion in Floquet operator Krylov space

Recursion methods such as Krylov techniques map complex dynamics to an effective noninteracting problem in one dimension. For example, the operator Krylov space for Floquet dynamics can be mapped to the dynamics of an edge operator of the one-dimensional Floquet inhomogeneous transverse field Ising model (ITFIM), where the latter, after a Jordan-Wigner transformation, is a Floquet model of noninteracting Majorana fermions and the couplings correspond to Krylov angles. We present an application of this showing that a moment method exists where given an autocorrelation function, one can construct the corresponding Krylov angles and from that the corresponding Floquet ITFIM. Consequently, when no solutions for the Krylov angles are obtained, it indicates that the autocorrelation is not generated by unitary dynamics. We highlight this by studying certain special cases: stable m-period dynamics derived using the method of continued fractions, exponentially decaying, and power-law decaying stroboscopic dynamics. Remarkably, our examples of stable m-period dynamics correspond to m-period edge modes for the Floquet ITFIM where, deep in the chain, the couplings correspond to a critical phase. Furthermore our results pave the way to engineer Floquet systems with desired properties of edge modes and also provide examples of persistent edge modes in gapless Floquet systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

First Mott lobe of bosons with local two- and three-body interactions

Using the density matrix renormalization group method, we determine the phase diagram of the Bose-Hubbard model with local two- and three-body interactions, describing polar molecules in one-dimensional optical lattices. The difference in the block von Neumann entropy with different system sizes was used to establish the critical points. We found that the quantum critical point position increases with the three-body interaction. We show that the model studied is in the same universality class as the model with pure two-body interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Gapped lineon and fracton models on graphs

We introduce a $\mathbb{Z}_N$ stabilizer code that can be defined on any spatial lattice of the form $\Gamma\times C_{L_z}$, where $\Gamma$ is a general graph. We also present the low-energy limit of this stabilizer code as a Euclidean lattice action, which we refer to as the anisotropic $\mathbb{Z}_N$ Laplacian model. It is gapped, robust (i.e., stable under small deformations), and has lineons. Its ground state degeneracy (GSD) is expressed in terms of a "mod $N$-reduction" of the Jacobian group of the graph $\Gamma$. In the special case when space is an $L\times L\times L_z$ cubic lattice, the logarithm of the GSD depends on $L$ in an erratic way and grows no faster than $O(L)$. Furthermore, we also discuss another gapped model, the $\mathbb{Z}_N$ Laplacian model, which can be defined on any graph. It has fractons and a similarly strange GSD.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential

The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single-site limit, at half filling, the electron-phonon coupling results in a double-well structure for the lattice displacement, favoring empty or doubly occupied sites. In two dimensions and on a bipartite lattice in d ≥ 2, intersite hopping causes these doubly occupied and empty sites to alternate in a charge density wave (CDW) pattern when the temperature is lowered. Because a discrete symmetry is broken, this occurs in a conventional second-order transition at finite T cdw . In this paper, we investigate the effect of changing the phonon potential energy to one with an intrinsic double-well structure even in the absence of electron-phonon coupling. While this aids in the initial process of pair formation, the implications for subsequent CDW order are nontrivial. One expects that, when the electron-phonon coupling is too strong, the double wells become deep and the polaron mass gets large, an effect which reduces T cdw . Here, we show here the existence of regions of parameter space where the double-well potential, while aiding local pair formation, does so in a way which also substantially enhances long-range CDW order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

User defined elements in ANSYS for 2D multiphysics modeling of superconducting magnets

Dynamic simulation of superconducting magnets is critical for the design of quench protection systems to prevent potentially damaging temperatures and high voltage from developing after magnet quench. Modeling these scenarios is challenging due to the many multiscale phenomena which impact magnet behavior. These range from conductor scale effects of quench and interfilament coupling currents up to the behavior of the magnet in its powering and protection circuit. In addition, a strong coupling between electromagnetic and thermal domains is required to capture temperature and field dependent material properties and quench behavior. We present a finite element approach which integrates the various effects into the commercial software ANSYS by means of programming new element types. This is shown capable of simulating the strongly coupled transient electromagnetic, thermal, and circuit behavior of superconducting magnets required for quench protection studies. A benchmarking study is presented which shows close agreement between the new ANSYS elements and a COMSOL Multiphysics implementation developed at CERN for dump resistor and coupling loss induced quench based magnet protection of a Nb 3 Sn block dipole. Following this, the ANSYS implementation is shown reproducing strongly coupled quench back behavior observed during the test of a Nb 3 Sn superconducting undulator prototype at Lawrence Berkeley National Laboratory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Theoretical Studies on Magnetic Structures, Hysteresis Loops and Size Effects of a Pair of Frustrated Double-Walled Nanotubes

We propose a theoretical quantum model and derive a set of analytic formulas to study the physical properties of a pair of double-walled magnetic nanotubes. The Heisenberg exchange parameters between the two walls of the nanotubes are assumed to differ only in sign. Thus, in the absence of external magnetic field, our calculated macroscopic properties of this pair of nanotubes are almost precisely identical, exhibiting fascinating duality of the nanosystems and demonstrating the correctness of our theoretical model. The two spin systems are all frustrated, so that sudden changes in the macroscopic properties are observed around T{sub M2} that is well below the transition temperature T{sub M1}. However, only the inner shell consisting of smaller A-type spins has been obviously affected. In the temperature range T{sub M2} < T < T{sub M1}, this shell becomes semi-antiferromagnetic and its magnetization is considerably suppressed, whereas as temperature falls below T{sub M2} the shell gradually restores its ferromagnetic nature. The longitudinal hysteresis behavior of such a double-waled nanotube is ferromagnetic-like below T{sub M2}, but antiferromagnetic-like in the temperature interval T{sub M2} < T < T{sub M1}. Moreover, we find that the diameter of the nanotube has seemly no effects on its physical properties, whereas its length does affects the two temperatures slightly, and also its spin configuration at very low temperatures if the tube is sufficiently long. More importantly, the theoretical results presented in this paper can be precisely reproduced with the quantum computational method we develop in recent years, justifying the validity of the numerical approach once again.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Preconditioned steepest descent methods for some nonlinear elliptic equations involving p-Laplacian terms

We describe and analyze preconditioned steepest descent (PSD) solvers for fourth and sixth-order nonlinear elliptic equations that include p-Laplacian terms on periodic domains in 2 and 3 dimensions. The highest and lowest order terms of the equations are constant-coefficient, positive linear operators, which suggests a natural preconditioning strategy. Such nonlinear elliptic equations often arise from time discretization of parabolic equations that model various biological and physical phenomena, in particular, liquid crystals, thin film epitaxial growth and phase transformations. The analyses of the schemes involve the characterization of the strictly convex energies associated with the equations. We first give a general framework for PSD in Hilbert spaces. Based on certain reasonable assumptions of the linear pre-conditioner, a geometric convergence rate is shown for the nonlinear PSD iteration. We then apply the general theory to the fourth and sixth-order problems of interest, making use of Sobolev embedding and regularity results to confirm the appropriateness of our pre-conditioners for the regularized p-Lapacian problems. Our results include a sharper theoretical convergence result for p-Laplacian systems compared to what may be found in existing works. We demonstrate rigorously how to apply the theory in the finite dimensional setting using finite difference discretization methods. Numerical simulations for some important physical application problems – including thin film epitaxy with slope selection and the square phase field crystal model – are carried out to verify the efficiency of the scheme.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic field induced phase transitions of the triangular spin model

In this work, motivated by a recent inelastic neutron scattering experiment on YbMgGaO 4 , I study the homogeneous spin model on the triangular lattice using the cluster mean-field theory and exact diagonalization. Phase diagrams with and without magnetic field are computed. The results show that the magnetic field can induce the phase transition from the spin liquid state (or the stripe state) to the 120 ° antiferromagnetic state. These phase transitions are suppressed by the next-nearest-neighbor exchange interaction J 2 / J 1 and vanish as J 2 / J 1 > 0.11 . I analyze a parameter space at J 2 / J 1 = 0.1 , where a field induced phase transition can occur, and find that the deviation of the theoretical spin excitation energy from the experimental data is only about 0.054. These results imply that an effective homogeneous spin model still applies to YbMgGaO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Supersolid and charge-density-wave states from anisotropic interaction in an optical lattice

We show anisotropy of the dipole interaction between magnetic atoms or polar molecules can stabilize new quantum phases in an optical lattice. Using a well-controlled numerical method based on the tensor network algorithm, we calculate the phase diagram of the resultant effective Hamiltonian in a two-dimensional square lattice - an anisotropic Hubbard model of hard-core bosons with attractive interaction in one direction and repulsive interaction in the other direction. Besides the conventional superfluid and the Mott insulator states, we find the striped and the checkerboard charge-density-wave states and the supersolid phase that interconnect the superfluid and the striped solid states. The transition to the supersolid phase has a mechanism different from the case of the soft-core Bose-Hubbard model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗