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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Phase Transitions in the Antiferromagnetic Heisenberg Model on a Body-Centered Cubic Lattice with Allowance for the Next-Nearest-Neighbor Interactions

Based on the replica exchange Monte Carlo algorithm and histogram analysis of data, the phase transitions in the three-dimensional antiferromagnetic Heisenberg model on a body-centered cubic lattice with allowance for the next-nearest-neighbor interaction are studied. The study is performed for the nextnearest- neighbor exchange interaction ratio of r = 1. It is established that, for this model, the transition from the antiferromagnetic to paramagnetic phase is a first-order phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Attractive Effect of a Strong Electronic Repulsion: The Physics of Vertex Divergences

While the breakdown of the perturbation expansion for the many-electron problem has several formal consequences, here we unveil its physical effect: flipping the sign of the effective electronic interaction in specific scattering channels. By decomposing local and uniform susceptibilities of the Hubbard model via their spectral representations, we prove how entering the nonperturbative regime causes an enhancement of the charge response, ultimately responsible for the phase-separation instabilities close to the Mott metal-insulator transition. Furthermore, our analysis opens a new route for understanding phase transitions in the nonperturbative regime and clarifies why attractive effects emerging from a strong repulsion can induce phase separations but not s-wave pairing or charge-density wave instabilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Two-dimensional symmetry-protected topological orders and their protected gapless edge excitations

Topological insulators in free fermion systems have been well characterized and classified. However, it is not clear in strongly interacting boson or fermion systems what symmetry-protected topological orders exist. In this paper, we present a model in a two-dimensional (2D) interacting spin system with nontrivial onsite Z{sub 2} symmetry-protected topological order. The order is nontrivial because we can prove that the one-dimensional (1D) system on the boundary must be gapless if the symmetry is not broken, which generalizes the gaplessness of Wess-Zumino-Witten model for Lie symmetry groups to any discrete symmetry groups. The construction of this model is related to a nontrivial 3-cocycle of the Z{sub 2} group and can be generalized to any symmetry group. It potentially leads to a complete classification of symmetry-protected topological orders in interacting boson and fermion systems of any dimension. Specifically, this exactly solvable model has a unique gapped ground state on any closed manifold and gapless excitations on the boundary if Z{sub 2} symmetry is not broken. We prove the latter by developing the tool of a matrix product unitary operator to study the nonlocal symmetry transformation on the boundary and reveal the nontrivial 3-cocycle structure of this transformation. Similar ideas are used to construct a 2D fermionic model with onsite Z{sub 2} symmetry-protected topological order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Fluctuation-induced noise in out-of-equilibrium disordered superconducting films

We study out-of-equilibrium transport in disordered superconductors close to the superconducting transition. We consider a thin film connected by resistive tunnel interfaces to thermal reservoirs having different chemical potentials and temperatures. The nonequilibrium longitudinal current–current correlation function is calculated within the nonlinear sigma model description and nonlinear dependence on temperatures and chemical potentials is obtained. Different contributions are calculated, originating from the fluctuation-induced suppression of the quasiparticle density of states, Maki–Thompson and Aslamazov–Larkin processes. As a special case of our results, close-to-equilibrium we obtain the longitudinal ac conductivity using the fluctuation–dissipation theorem. -- Highlights: •Contributions to the current noise induced by superconducting fluctuations are calculated. •Nonequilibrium physics is studied. •Nonlinear dependence of the noise on temperatures and chemical potentials of the reservoirs is found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Minimal one-dimensional model of bad metal behavior from fast particle-hole scattering

A strongly interacting plasma of linearly dispersing electron and hole excitations in two spatial dimensions (2D), also known as a Dirac fluid, can be captured by relativistic hydrodynamics and shares many universal features with other quantum critical systems. Here, we propose a one-dimensional (1D) model to capture key aspects of the 2D Dirac fluid while including lattice effects and being amenable to nonperturbative computation. When interactions are added to the Dirac-like 1D dispersion without opening a gap, we show that this kind of irrelevant interaction is able to preserve Fermi-liquid-like quasiparticle features while relaxing a zero-momentum charge current via collisions between particle-hole excitations, leading to resistivity that is linear in temperature via a mechanism previously discussed for large-diameter metallic carbon nanotubes. We further provide a microscopic lattice model and obtain numerical results via density-matrix renormalization group simulations, which support the above physical picture. The limits on such fast relaxation at strong coupling are of considerable interest because of the ubiquity of bad metals in experiments.

1-dimensional systems↗
DOE OSTI2024

Topological quantum computation on a chiral Kondo chain

We describe the chiral Kondo chain model based on the symplectic Kondo effect and demonstrate that it has a quantum critical ground state populated by non-Abelian anyons. We show that the fusion channel of two arbitrary anyons can be detected by locally coupling the two anyons to an extra single channel of chiral current and measuring the corresponding conductance at a finite frequency. Based on such measurements, we propose that the chiral Kondo chain model with symplectic symmetry can be used for the implementation of measurement-only topological quantum computations, and it possesses several distinct features favorable for such applications. Furthermore, the sources and effects of errors in the proposed system are analyzed and possible material realizations are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Gauge invariance of light-matter interactions in first-principle tight-binding models

In this work, we study the different ways of introducing light-matter interaction in first-principle tight-binding (TB) models. The standard way of describing optical properties is the velocity gauge, defined by linear coupling to the vector potential. In finite systems a transformation to represent the electromagnetic radiation by the electric field instead is possible, albeit subtleties arise in periodic systems. The resulting dipole gauge is a multi-orbital generalization of the Peierls substitution. In this work we investigate the accuracy for both pathways, with particular emphasis on gauge invariance, for TB models constructed from maximally localized Wannier functions. This approach accurately captures the light-matter interaction close to the Fermi level. Focusing on paradigmatic two-dimensional materials, we construct first-principle models and calculate the response to electromagnetic fields in linear response and for strong excitations. Benchmarks against fully converged first-principle calculations allow for ascertaining the accuracy of the TB models. We find that the dipole gauge provides a more accurate description than the velocity gauge in all cases. The main deficiency of the velocity gauge is an imperfect cancellation of paramagnetic and diamagnetic current. Formulating a corresponding sum rule however provides a way to explicitly enforce this cancellation. This procedure corrects the TB models in the velocity gauge, yielding excellent agreement with dipole gauge and thus restoring gauge invariance.

2-dimensional systems↗
DOE OSTI2024

Lattice realizations of topological defects in the critical (1+1)-d three-state Potts model

Topological/perfectly-transmissive defects play a fundamental role in the analysis of the symmetries of two dimensional conformal field theories (CFTs). In the present work, spin chain regularizations for these defects are proposed and analyzed in the case of the three-state Potts CFT. In particular, lattice versions for all the primitive defects are presented, with the remaining defects obtained from the fusion of the primitive ones. The defects are obtained by introducing modified interactions around two given sites of an otherwise homogeneous spin chain with periodic boundary condition. The various primitive defects are topological on the lattice except for one, which is topological only in the scaling limit. The lattice models are analyzed using a combination of exact diagonalization and density matrix renormalization group techniques. Low-lying energy spectra for different defect Hamiltonians as well as entanglement entropy of blocks located symmetrically around the defects are computed. The latter provides a convenient way to compute the g-function which characterizes various defects. Finally, the eigenvalues of the line operators in the “crossed channel” and fusion of different defect lines are also analyzed. The results are all in agreement with expectations from conformal field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Quantum phases of the Bose-Hubbard model in optical superlattices

We analyze the quantum phases of multicomponent Bose-Hubbard models in optical superlattices based on a mean-field method, that is, the decoupling approximation. The global phase diagrams exhibit complex patterns with various charge-density-wave orders for both one- and two-component cases. We further calculate the effective spin excitations for the two-component case in the strong-coupling region at unit filling, and show the existence of a spin-density-wave order. The results of our study can be tested straightforwardly with current cold-atom experimental techniques.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Metal–Insulator Transition in the Presence of Van Hove Singularities for Bipartite Lattices

We have considered the phase diagram of the ground state for the t–t' Hubbard model with half-filling of the band. The criterion for the metal–insulator transition has been formulated using the analytic expansion in transfer integral t' and in direct antiferromagnetic gap Δ. For a square lattice, there exists an interval of t' values for which the metal–insulator transition is of the first order due to the existence of the Van Hove singularity. For simple and body-centered cubic lattices, a transition occurring from the insulator antiferromagnetic state to the antiferromagnetic metal phase is a second-order transition followed by a transition to paramagnetic metal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Transient heat transfer of superfluid He 4 in nonhomogeneous geometries: Second sound, rarefaction, and thermal layer

Transient heat transfer in superfluid 4 He (He II) is a complex process that involves the interplay of the unique counterflow heat-transfer mode, the emission of second-sound waves, and the creation of quantized vortices. Many past researches focused on homogeneous heat transfer of He II in a uniform channel driven by a planar heater. Here, we report our systematic study of He II transient heat transfer in nonhomogeneous geometries that are pertinent to emergent applications. By solving the He II two-fluid equations of motion coupled with Vinen's equation for vortex-line density, we examine and compare the characteristics of transient heat transfer from planar, cylindrical, and spherical heaters in He II. Our results show that as the heater turns on, an outgoing second-sound pulse emerges, within which the vortex-line density grows rapidly. These vortices attenuate the second sound and result in a heated He II layer in front of the heater, i.e., the thermal layer. In the planar case where the vortices are created throughout the space, the second-sound pulse is continuously attenuated, leading to a thick thermal layer that diffusely spreads following the heat pulse. On the contrary, in the cylindrical and the spherical heater cases, vortices are created mainly in a thin thermal layer near the heater surface. As the heat pulse ends, a rarefaction tail develops following the second-sound pulse, in which the temperature drops. This rarefaction tail can promptly suppress the thermal layer and take away the deposited thermal energy. The effects of the heater size, heat flux, pulse duration, and temperature on the thermal-layer dynamics are discussed. We also show how the peak heat flux for the onset of boiling in He II can be studied in our model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The von Neumann model of measurement in quantum mechanics

We describe how to obtain information on a quantum-mechanical system by coupling it to a probe and detecting some property of the latter, using a model introduced by von Neumann, which describes the interaction of the system proper with the probe in a dynamical way. We first discuss single measurements, where the system proper is coupled to one probe with arbitrary coupling strength. The goal is to obtain information on the system detecting the probe position. We find the reduced density operator of the system, and show how Lüders rule emerges as the limiting case of strong coupling. The von Neumann model is then generalized to two probes that interact successively with the system proper. Now we find information on the system by detecting the position-position and momentum-position correlations of the two probes. The so-called 'Wigner's formula' emerges in the strong-coupling limit, while 'Kirkwood's quasi-probability distribution' is found as the weak-coupling limit of the above formalism. We show that successive measurements can be used to develop a state-reconstruction scheme. Finally, we find a generalized transform of the state and the observables based on the notion of successive measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal influence on charge carrier transport in solar cells based on GaAs PN junctions

The electron and hole one-dimensional transport in a solar cell based on a Gallium Arsenide (GaAs) PN junction and its dependency with electron and lattice temperatures are studied here. Electrons and heat transport are treated on an equal footing, and a cell operating at high temperatures using concentrators is considered. The equations of a two-temperature hydrodynamic model are written in terms of asymptotic expansions for the dependent variables with the electron Reynolds number as a perturbation parameter. The dependency of the electron and hole densities through the junction with the temperature is analyzed solving the steady-state model at low Reynolds numbers. Lattice temperature distribution throughout the device is obtained considering the change of kinetic energy of electrons due to interactions with the lattice and heat absorbed from sunlight. In terms of performance, higher values of power output are obtained with low lattice temperature and hot energy carriers. This modeling contributes to improve the design of heat exchange devices and thermal management strategies in photovoltaic technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Evolution of (001) and (111) facets for selective epitaxial growth inside submicron trenches

The evolution of (001) and (111) facets for the epitaxial growth inside submicron trenches is systematically studied in this report. The analysis with the method of “Lagrange multiplier” indicates the equilibrium crystal shape. In the case of non-equilibrium without external fluxes, we employed the “weighted mean curvature” method to mathematically model the inter-facet migration rate for two extreme kinetic cases: “surface diffusion limited” and “surface attachment/detachment limited.” Coupled with external supply of atoms, the self-limited behavior of facet size is theoretically predicted. Moreover, we find that the self-limited stable facet size in trenches of different widths has a specific relationship determined by the surface energy ratio, kinetic rate ratio, and isolated growth rate difference. The two limited cases could be discriminated according to the mathematical fitting of one exponent in this relationship based on the stable facet size in trenches of different widths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optical power of semiconductor lasers with a low-dimensional active region

A comprehensive analytical model for the operating characteristics of semiconductor lasers with a low-dimensional active region is developed. Particular emphasis is given to the effect of capture delay of both electrons and holes from a bulk optical confinement region into a quantum-confined active region and an extended set of rate equations is used. We derive a closed-form expression for the internal quantum efficiency as an explicit function of the injection current and parameters of a laser structure. Due to either electron or hole capture delay, the internal efficiency decreases with increasing injection current above the lasing threshold thus causing sublinearity of the light-current characteristic of a laser.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Extending the thermodynamic form factor bootstrap program: multiple particle-hole excitations, crossing symmetry, and reparameterization invariance

In this study, we further the thermodynamic bootstrap program which involves a set of recently developed ideas used to determine thermodynamic form factors of local operators in integrable quantum field theories. These form factors are essential building blocks for dynamic correlation functions at finite temperatures or non-equilibrium stationary states. In this work we extend this program in three ways. Firstly, we demonstrate that the conjectured annihilation pole axiom is valid in the low energy particle-hole excitations. Secondly, we introduce a crossing relation, which establishes a connection between form factors with different excitation content. Typically, the crossing relation is a consequence of Lorentz invariance, but due to the finite energy density of the considered states, Lorentz invariance is broken. Nonetheless a crossing relation involving excitations with both particles and holes can established using the finite volume representation of the thermodynamic form factors. Finally, we demonstrate that the thermodynamic form factors satisfy a reparameterization invariance, an invariance which encompasses crossing. Reparameterization invariance exploits the fact that the details of the representation of the thermodynamic state are unimportant. In the course of developing these results, we demonstrate the internal consistency of the thermodynamic form factor bootstrap program in a number of ways. Finally, we provide explicit computations of form factors of conserved charges and densities with crossed excitations and show our results can be used to infer information about thermodynamic form factors in the Lieb-Liniger model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Correlations of Pairs in Bichromatic Optical Lattices

Correlation functions of two interacting bosons in bound states confined in a quasi-periodic 1D optical lattice are investigated. This two-body problem is exactly solvable, and therefore, various correlation functions can be directly calculated. The first-order correlation and the resulting momentum distribution behave smoothly across the phase boundary and exhibit a strong dependence on the sign of on-site interactions. We demonstrate that this special signature of momentum distribution exists for both the extended phase and the localized phase. In addition to the dependence on the sign of on-site interactions, the second-order quantum coherence reveals complementary information about the quasi-periodic order of the system, the underling structure of the bound states and the characterization of the different phases of the bound states. We also study the second-order correlation in momentum space of the bound states in both the weak and strong coupling regimes and demonstrate different correlation patterns in these two regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Two Topologically Distinct Dirac-Line Semimetal Phases and Topological Phase Transitions in Rhombohedrally Stacked Honeycomb Lattices

Three-dimensional topological semimetals can support band crossings along one-dimensional curves in the momentum space (nodal lines or Dirac lines) protected by structural symmetries and topology. We consider rhombohedrally (ABC) stacked honeycomb lattices supporting Dirac lines protected by time-reversal, inversion and spin rotation symmetries. For typical band structure parameters there exists a pair of nodal lines in the momentum space extending through the whole Brillouin zone in the stacking direction. We show that these Dirac lines are topologically distinct from the usual Dirac lines which form closed loops inside the Brillouin zone. In particular, an energy gap can be opened only by first merging the Dirac lines going through the Brillouin zone in a pairwise manner so that they turn into closed loops inside the Brillouin zone, and then by shrinking these loops into points. We show that this kind of topological phase transition can occur in rhombohedrally stacked honeycomb lattices by tuning the ratio of the tunneling amplitudes in the directions perpendicular and parallel to the layers. We also discuss the properties of the surface states in the different phases of the model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗