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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Exchange field effect in the crystal-field ground state of Ce M Al 4 Si 2

The crystal-field ground-state wave functions of the tetragonal, magnetically ordering Kondo lattice materials CeMAl 4 Si 2 (M = Rh, Ir, and Pt) are determined in this paper with low-temperature linearly polarized soft-x-ray absorption spectroscopy, and estimates for the crystal-field splittings are given from the temperature evolution of the linear dichroism. Values for the dominant exchange field in the magnetically ordered phases can be obtained from fitting the influence of magnetic order on the linear dichroism. The direction of the required exchange field is || c for the antiferromagnetic Rh and Ir compounds, with the corresponding strength of the order of λ ex ≈ 6 meV (65 K). Finally and furthermore, the presence of Kondo screening in the Rh and Ir compound is demonstrated on the basis of the absorption due to f 0 in the initial state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Currents and Green's functions of impurities out of equilibrium: Results from inchworm quantum Monte Carlo

Here, we generalize the recently developed inchworm quantum Monte Carlo method to the full Keldysh contour with forward, backward, and equilibrium branches to describe the dynamics of strongly correlated impurity problems with time-dependent parameters. We introduce a method to compute Green's functions, spectral functions, and currents for inchworm Monte Carlo and show how systematic error assessments in real time can be obtained. We then illustrate the capabilities of the algorithm with a study of the behavior of quantum impurities after an instantaneous voltage quench from a thermal equilibrium state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Dehybridization of f and d states in the heavy-fermion system YbRh 2 Si 2

Here, we report an optically induced reduction of the f-d hybridization in the prototypical heavy-fermion compound YbRh 2 Si 2 . We use femtosecond time- and angle-resolved photoemission spectroscopy to monitor changes of spectral weight and binding energies of the Yb 4f and Rh 4d states before the lattice temperature increases after pumping. Overall, the f-d hybridization decreases smoothly with increasing electronic temperature up to ~ 250 K but changes slope at ~ 100 K. This temperature scale coincides with the onset of coherent Kondo scattering and with thermally populating the first excited crystal electrical field level. Extending previous photoemission studies, we observe a persistent f-d hybridization up to at least ~ 250 K, which is far larger than the coherence temperature defined by transport but in agreement with the temperature dependence of the noninteger Yb valence. Our data underlines the distinction of probes accessing spin and charge degrees of freedom in strongly correlated systems.

36 MATERIALS SCIENCE↗
DOE OSTI2010

q-state Potts-glass neural network based on pseudoinverse rule

We study the q-state Potts-glass neural network with the pseudoinverse (PI) rule. Its performance is investigated and compared with that of the counterpart network with the Hebbian rule instead. We find that there exists a critical point of q, i.e., q{sub cr}=14, below which the storage capacity and the retrieval quality can be greatly improved by introducing the PI rule. We show that the dynamics of the neural networks constructed with the two learning rules respectively are quite different; but however, regardless of the learning rules, in the q-state Potts-glass neural networks with q{>=}3 there is a common novel dynamical phase in which the spurious memories are completely suppressed. This property has never been noticed in the symmetric feedback neural networks. Free from the spurious memories implies that the multistate Potts-glass neural networks would not be trapped in the metastable states, which is a favorable property for their applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Resistivity Minimum in Highly Frustrated Itinerant Magnets

We study here the transport properties of frustrated itinerant magnets comprising localized classical moments, which interact via exchange with the conduction electrons. Strong frustration stabilizes a liquidlike spin state, which extends down to temperatures well below the effective Ruderman-Kittel-Kasuya-Yosida interaction scale. The crossover into this state is characterized by spin structure factor enhancement at wave vectors smaller than twice the Fermi wave vector magnitude. Finally, the corresponding enhancement of electron scattering generates a resistivity upturn at decreasing temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Skyrmion crystal from RKKY interaction mediated by 2D electron gas

We consider a $C_6$ invariant lattice of magnetic moments coupled via a Kondo exchange $J$ with a 2D electron gas (2DEG). The effective Ruderman-Kittel-Kasuya-Yosida interaction between the moments stabilizes a magnetic skyrmion crystal in the presence of magnetic field and easy-axis anisotropy. An attractive aspect of this mechanism is that the magnitude of the magnetic ordering wave vectors, $Q_ν(ν=1,2, 3)$, is dictated by the Fermi wave number $k_F:|Q_ν|=2k_F$. Consequently, the topological contribution to the Hall conductivity of the 2DEG becomes of the order of the quantized value, $e^2/h$, when $J$ is comparable to the Fermi energy $ε_F$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Universal Anomalous Diffusion of Quantized Vortices in Ultraquantum Turbulence

In classical viscous fluids, turbulent eddies are known to be responsible for the rapid spreading of embedded particles. However, in inviscid quantum fluids where the turbulence is induced by a chaotic tangle of quantized vortices, dispersion of the particles can be achieved via a nonclassical mechanism, i.e., their binding to the evolving vortices. However, knowledge on how the vortices diffuse and spread in quantum-fluid turbulence is very limited, especially for the so-called ultraquantum turbulence (UQT) generated by a random tangle of vortices. Here we report a systematic numerical study of the apparent diffusion of vortices in UQT in superfluid helium-4 using the full Biot-Savart simulation. We reveal that the vortices in the superfluid exhibit a universal anomalous diffusion (superdiffusion) at small times, which transits to normal diffusion at large times. This behavior is found to be the result of a generic scaling property of the vortex velocity. Our simulation at finite temperatures also nicely reproduces recent experimental observations. Lastly, the knowledge obtained from this study may form the base for understanding turbulent transport and universal vortex dynamics in various quantum fluids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Postquantum Quench Growth of Renyi Entropies in Low-Dimensional Continuum Bosonic Systems

The growth of Renyi entropies after the injection of energy into a correlated system provides a window upon the dynamics of its entanglement properties. Here we develop a simulation scheme by which this growth can be determined in Luttinger liquids systems with arbitrary interactions, even those introducing gaps into the liquid. We apply this scheme to an experimentally relevant quench in the sine-Gordon field theory. While for short times we provide analytic expressions for the growth of the second and third Renyi entropy, to access longer times, we combine our scheme with truncated spectrum methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Auger spectroscopy beyond the ultra-short core-hole relaxation time approximation

Abstract We present a time-dependent computational approach to study Auger electron spectroscopy (AES) beyond the ultra-short core-hole relaxation time approximation and, as a test case, we apply it to the paradigmatic example of a one-dimensional Mott insulator represented by a half-filled Hubbard chain. The Auger spectrum is usually calculated by assuming that, after the creation of a core-hole, the system thermalizes almost instantaneously. This leads to a relatively simple analytical expression that uses the ground-state with a core-hole as a reference state and ignores all the transient dynamics related to the screening of the core-hole. In this picture, the response of the system can be associated to the pair spectral function. On the other hand, in our numerical calculations, the core hole is created by a light pulse, allowing one to study the transient dynamics of the system in terms of the pulse duration and in the non-perturbative regime. Time-dependent density matrix renormalization group calculations reveal that the relaxation process involves the creation of a polarization cloud of doublon excitations that have an effect similar to photo-doping. As a consequence, there is a leak of spectral weight to higher energies into what otherwise would be the Mott gap. For longer pulses, these excited states, mostly comprised of doublons, can dominate the spectrum. By changing the duration of the light-pulse, the entire screening process can be resolved in time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Quantum phases of ultracold bosonic atoms in a one-dimensional optical superlattice

We analyze various quantum phases of ultracold bosonic atoms in a periodic one-dimensional optical superlattice. Our studies have been performed using the finite-size density-matrix renormalization group method in the framework of the Bose-Hubbard model. Calculations have been carried out for a wide range of densities and the energy shifts due to the superlattice potential. At commensurate fillings, we find the Mott insulator and the superfluid phases as well as Mott insulators induced by the superlattice. At a particular incommensurate density, the system is found to be in the superfluid phase coexisting with density oscillations for a certain range of parameters of the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Formation of magnetic impurities and pair-breaking effect in a superfluid Fermi gas

We theoretically investigate the introduction of magnetic impurities into a superfluid Fermi gas. In the presence of a population imbalance (N{sub {up_arrow}}>N{sub {down_arrow}}, where N{sub {sigma}} is the number of Fermi atoms with pseudospin {sigma}={up_arrow},{down_arrow}), we show that nonmagnetic potential scatterers embedded in the system are magnetized in the sense that some of the excess spin-{up_arrow} atoms are localized around them. They destroy the superfluid order parameter around them, as in the case of the magnetic impurity effect discussed in the superconductivity literature. This pair-breaking effect naturally leads to localized excited states below the superfluid excitation gap. To confirm our idea in a simple manner, we consider an attractive Fermi-Hubbard model within the mean-field theory at T=0. We determine consistent superfluid properties around a nonmagnetic impurity, such as the superfluid order parameter, local population imbalance, as well as the single-particle density of states, in the presence of a population imbalance. Since competition between superconductivity and magnetism is one of the most fundamental problems in condensed-matter physics, our results would be useful for the study of this important issue in cold Fermi gases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Quantum phases of a dipolar Bose-Einstein condensate in an optical lattice with three-body interaction

We investigate the quantum phases of a dipolar Bose-Einstein condensate (BEC) in an optical lattice based on the extended Bose-Hubbard model taking into account the three-body scattering. Accordingly, the phase diagrams from the superfluid state to the Mott-insulator state for such BEC systems are obtained and analyzed, employing both the mean-field approach and the functional-integral method. In particular, we explore the combined effects of three-body interaction and dipole-dipole interaction on the insulating lobes in detail. The experimental scenario is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Sensitivity Reach of the Neutron EDM Experiment: The Electric Field Strength

The search for an electric dipole moment of the neutron tests physics beyond the Standard Model such as new sources of CP-violation and Supersymmetry. The nEDM experiment aims to improve the sensitivity on the current limit of the electric dipole moment of the neutron to <10{sup -27} e{center_dot}cm. The experiment will use a flux of Ultra Cold Neutrons (UCNs) produced and stored in a bath of superfluid He-II. A change in precession frequency is expected for a non-zero EDM when an electric field is applied parallel and antiparallel to a magnetic field across the neutron storage cell. A dominant parameter in terms of reducing the statistical uncertainty of this measurement is the strength of the applied electric field. An experiment to measure if superfluid He-II can sustain up to 50 kV/cm for a volume and electrode spacings comparable to the nEDM experiment has been constructed at Los Alamos National Laboratory. It consists in a large-area parallel plate capacitor immersed in a 200 liter central volume inside a suitable cryostat that in turn is connected to a dilution refrigerator unit. A description of test runs and the status of the experiment is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Schwinger-Keldysh approach to out-of-equilibrium dynamics of the Bose-Hubbard model with time-varying hopping

We study the real-time dynamics of the Bose-Hubbard model in the presence of time-dependent hopping, allowing for a finite-temperature initial state. We use the Schwinger-Keldysh technique to find the real-time strong coupling action for the problem at both zero and finite temperature. This action allows for the description of both the superfluid and Mott-insulating phases. We use this action to obtain dynamical equations for the superfluid order parameter as hopping is tuned in real time so that the system crosses the superfluid phase boundary. We find that under a quench in the hopping, the system generically enters a metastable state in which the superfluid order parameter has an oscillatory time dependence with a finite magnitude, but disappears when averaged over a period. We relate our results to recent cold-atom experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Quench in the 1D Bose-Hubbard model: Topological defects and excitations from the Kosterlitz-Thouless phase transition dynamics

Kibble-Zurek mechanism (KZM) uses critical scaling to predict density of topological defects and other excitations created in second order phase transitions. We point out that simply inserting asymptotic critical exponents deduced from the immediate vicinity of the critical point to obtain predictions can lead to results that are inconsistent with a more careful KZM analysis based on causality – on the comparison of the relaxation time of the order parameter with the ‘‘time distance’’ from the critical point. As a result, scaling of quench-generated excitations with quench rates can exhibit behavior that is locally (i.e., in the neighborhood of any given quench rate) well approximated by the power law, but with exponents that depend on that rate, and that are quite different from the naive prediction based on the critical exponents relevant for asymptotically long quench times. Kosterlitz-Thouless scaling (that governs e.g. Mott insulator to superfluid transition in the Bose-Hubbard model in one dimension) is investigated as an example of this phenomenon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

r-modes in low temperature color-flavor-locked superconducting quark stars

We present the first multifluid analysis of a dense neutron star core with a deconfined color-flavor-locked superconducting quark component. Accounting only for the condensate and (finite temperature) phonons, we make progress by taking over results for superfluid {sup 4}He. The resultant two-fluid model accounts for a number of additional viscosity coefficients (compared to the Navier-Stokes equations) and we show how they enter the dissipation analysis for an oscillating star. We provide simple estimates for the gravitational-wave driven r-mode instability, demonstrating that the various phonon processes that we consider are not effective damping agents. Even though the results are likely of little direct astrophysical importance (since we consider an overly simplistic stellar model) our analysis represents significant technical progress, laying the foundation for more detailed numerical studies and preparing the ground for the inclusion of additional aspects (in particular associated with kaons) of the problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Phase-field modeling of radiation-induced segregation for multicomponent alloys

Structural alloys under irradiation are known to undergo radiation-induced solute redistribution (RIS) at grain boundaries, leading to detrimental effects such as intergranular corrosion and stress-assisted cracking. To better understand the phenomenon, improved models of RIS applicable to concentrated, multicomponent alloys, and mesoscale microstructures are needed. In this talk, we present a novel grand-potential-based phase-field model to account for the complete set of multicomponent kinetic and thermodynamic couplings between atoms and point defects in the Onsager transport equations. We demonstrate multiscale modeling capability by deriving the Onsager coefficient matrix from atomistic-based Kinetic Monte Carlo simulations. Model predictions and validations of RIS and the effect of defect production, grain boundary sink strength and density are demonstrated for a model FCC FeCrNi system. We also demonstrate the novel capability to describe RIS in the presence of equilibrium segregation described using a density-based CALPHAD thermodynamic framework. This modeling approach overcomes certain limitations in conventional RIS models and provides a step closer towards multiscale modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Predicted Melt Curve and Liquid Shear Viscosity of RDX up to 30 GPa

Recent grain-scale simulations of HMX and TATB have shown that predictions for hot spot formation in high explosives are particularly sensitive to accurate determinations of the pressure-dependent melt curve and the shear viscosity of the liquid phase. These physics terms are poorly constrained beyond ambient pressure for the explosive RDX. Here we adopt an all-atom modeling approach using molecular dynamics (MD) simulations to predict the melt curve of RDX near to detonation conditions (30 GPa) and determine the shear viscosity of the liquid as a function of temperature and pressure above the melt curve. Phase-coexistence simulations were used to determine the melt curve, which is predicted to vary by almost 1100 K as the pressure increases from 0 GPa to 30 GPa. Equilibrium MD simulations and the Green-Kubo formalism were used to obtain the pressure-temperature-dependent shear viscosity. The shear viscosity of RDX is predicted to be of similar magnitude to the viscosity of TATB at low GPa-range pressures, and to be roughly an order of magnitude lower than the viscosity of HMX. The temperature dependence of the shear viscosity is Arrhenius at a given pressure, and the exponential pre-factor and activation term exhibit a strong, yet complicated, pressure dependence. An empirical pressure-temperature dependent function for RDX shear viscosity is developed that simultaneously captures a wide range of MD predictions while taking an analytic form that extrapolates smoothly beyond the fitted regime. The relative strength of the pressure and temperature dependencies of these two physics terms is found to be of similar magnitude for RDX, HMX, and TATB, which motivates incorporating these results in future RDX grain-scale modeling.

36 MATERIALS SCIENCE↗