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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

The Optimal Inhomogeneity for Superconductivity: Finite Size Studies

We report the results of exact diagonalization studies of Hubbard models on a 4 x 4 square lattice with periodic boundary conditions and various degrees and patterns of inhomogeneity, which are represented by inequivalent hopping integrals t and t{prime}. We focus primarily on two patterns, the checkerboard and the striped cases, for a large range of values of the on-site repulsion U and doped hole concentration, x. We present evidence that superconductivity is strongest for U of order the bandwidth, and intermediate inhomogeneity, 0 < t{prime} < t. The maximum value of the 'pair-binding energy' we have found with purely repulsive interactions is {Delta}{sub pb} = 0.32t for the checkerboard Hubbard model with U = 8t and t{prime} = 0.5t. Moreover, for near optimal values, our results are insensitive to changes in boundary conditions, suggesting that the correlation length is sufficiently short that finite size effects are already unimportant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin-lattice model for cubic crystals

In this work, we present a methodology based on the Néel model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and anisotropic magnetostriction, as well as exchange magnetostriction. Taking advantage of the analytical solutions of the Néel model, we derive theoretical expressions for the parametrization of the exchange integrals and Néel dipole and quadrupole terms that link them to the magnetic properties of the material. This approach allows us to build accurate spin-lattice models with the desired magnetoelastic properties. We also explore a possible way to model the volume dependence of magnetic moment based on the Landau energy. This feature allows us to consider the effects of hydrostatic pressure on the saturation magnetization. We apply this method to develop a spin-lattice model for BCC Fe and FCC Ni, and we show that it accurately reproduces the experimental elastic tensor, magnetocrystalline anisotropy under pressure, anisotropic magnetostrictive coefficients, volume magnetostriction, and saturation magnetization under pressure at zero temperature. This work could constitute a step towards large-scale modeling of magnetoelastic phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Sitewise manipulations and Mott insulator-superfluid transition of interacting photons using superconducting circuit simulators

We report that the Bose Hubbard model (BHM) of interacting bosons in a lattice has been a paradigm in many-body physics, and it exhibits a Mott insulator (MI)-superfluid (SF) transition at integer filling. Here a quantum simulator of the BHM using a superconducting circuit is proposed. Specifically, a superconducting transmission line resonator supporting microwave photons is coupled to a charge qubit to form one site of the BHM, and adjacent sites are connected by a tunable coupler. To obtain a mapping from the superconducting circuit to the BHM, we focus on the dispersive regime where the excitations remain photonlike. Standard perturbation theory is implemented to locate the parameter range where the MI-SF transition may be simulated. This simulator allows single-site manipulations and we illustrate this feature by considering two scenarios where a single-site manipulation can drive a MI-SF transition. The transition can be analyzed by mean-field analyses, and the exact diagonalization was implemented to provide accurate results. The variance of the photon density and the fidelity metric clearly show signatures of the transition. Lastly, experimental realizations and other possible applications of this simulator are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Extending the Gutzwiller approximation to intersite interactions

In this work, we develop an extension of the Gutzwiller approximation (GA) formalism that includes the effects of Coulomb interactions of arbitrary range (including density density, exchange, pair hopping, and Coulomb-assisted hopping terms). This formalism reduces to the ordinary GA formalism for the multiband Hubbard models in the presence of only local interactions. This is accomplished by combining the 1 / z expansion—where z is the coordination number, and only the leading-order terms contribute in the limit of infinite dimensions—with a P R † P R - I expansion, where P R is the Gutzwiller projector on the site R . Furthermore, the method is conveniently formulated in terms of a Gutzwiller Lagrange function. We apply our theory to the extended single-band Hubbard model. Similarly to the usual Brinkman-Rice mechanism, we find a Mott transition. A valence skipping transition is observed, where the occupation of the empty and doubly occupied states for the Gutzwiller wave function is enhanced with respect to the uncorrelated Slater determinant wave function.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Estimation of dc transport dynamics in strongly correlated (La,Pr,Ca)MnO{sub 3} film using an insulator-metal composite model for terahertz conductivity

Temperature-dependent conductivities at dc and terahertz (THz) frequency region (σ{sub THz}(ω,T)) were obtained for a strongly correlated (La{sub 0.275}Pr{sub 0.35}Ca{sub 0.375})MnO{sub 3} (LPCMO) film using THz time domain spectroscopy. A composite model that describes σ{sub THz}(ω,T) for LPCMO through the insulator-metal transition (IMT) was established by incorporating Austin-Mott model characterizing the hopping of localized electrons and Drude model explaining the behavior of free electrons. This model enables us to reliably investigate the dc transport dynamics from THz conductivity measurement, i.e., simultaneously evaluate the dc conductivity and the competing composition of metal and insulator phases through the IMT, reflecting the changes in microscopic conductivity of these phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Simulations of the flow past a cylinder using an unsteady double wake model

In the present work, the in-house UnSteady Double Wake Model (USDWM) is used to simulate flows past a cylinder at subcritical, supercritical, and transcritical Reynolds numbers. The flow model is a two-dimensional panel method which uses the unsteady double wake technique to model flow separation and its dynamics. In the present work the separation location is obtained from experimental data and fixed in time. The highly unsteady flow field behind the cylinder is analyzed in detail, comparing the vortex shedding charactericts under the different flow conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Structural elements and collapse regimes in 3D flows on a slope

The mechanisms and structural elements of an instability whose development results in the collapse of flow fragments have been studied in the scope of the Hamilton version of the 'shallow water' 3D model on a slope. The study indicated that the 3D model differs from its 2D analog in a more varied set of collapsing solutions. In particular, the solutions describing anisotropic collapse, during which the area of a collapsing fragment in contact with the slope contracts into a segment rather than a point, exist together with the solutions describing radially symmetric (isotropic) collapse.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Predicted viscosity of liquid HMX up to 40 GPa

Viscous flow serves as a significant heating mechanism during the formation of hot spots, but the shear viscosity which determines this response is poorly characterized for most high explosives. Most recently, a model was proposed for the shear viscosity of liquid HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) that was fit to pressures reaching 5 GPa, but this work uncovered uncertainties in the viscosity at 0 GPa and remains untested at higher pressures. We use molecular dynamics (MD) simulations and the Green-Kubo formalism to predict the temperature- and pressure-dependent shear viscosity of HMX over the pressure interval 0 GPa≤P≤40 GPa. Reassessment of the viscosity at 0 GPa rules out several potential explanations for discrepancies between earlier reports; we attribute these differences to details of MD trajectory integration impacting molecular flexibility. The shear viscosity of HMX exhibits an Arrhenius temperature dependence at each pressure considered, with exponential prefactor and activation energy terms that are also strong functions of pressure. An analytic form for the viscosity is developed based on an extension of the well-known Andrade equation that simultaneously captures the temperature and pressure dependencies in the MD data up to 40 GPa. Comparison against a recently developed model for the viscosity of liquid RDX (1,3,5-trinitro-1,3,5-triazinane) shows that both materials exhibit similar functional dependencies with the viscosity of HMX being higher by roughly an order of magnitude at a given temperature-pressure state.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Experimental on two sensors combination used in horizontal pipe gas-water two-phase flow

Gas-water two phase flow phenomenon widely exists in production and living and the measurement of it is meaningful. A new type of long-waist cone flow sensor has been designed to measure two-phase mass flow rate. Six rings structure of conductance probe is used to measure volume fraction and axial velocity. The calibration of them have been made. Two sensors have been combined in horizontal pipeline experiment to measure two-phase flow mass flow rate. Several model of gas-water two-phase flow has been discussed. The calculation errors of total mass flow rate measurement is less than 5% based on the revised homogeneous flow model.

42 ENGINEERING↗
DOE OSTI2022

Resolution of zigzag magnetic correlations in Na-deficient Na x IrO 3 without long-range ordering

The materials search for Kitaev quantum spin liquids led to the discovery of many honeycomb lattice materials. Much attention has been paid to materials without magnetic order down to the lowest temperatures. The newly synthesized Na-deficient Na x IrO 3 has been found to bear no sign of long-range magnetic order above 1 K from physical property measurements. In this paper, we report momentum-and energy-resolved excitation spectra in Na-deficient Na x IrO 3 measured using a resonant inelastic x-ray scattering spectrometer. Orbital excitation spectra show that the octahedral and trigonal crystal field splittings are larger in Na x IrO 3 than in Na 2 IrO 3 . On the other hand, the low-energy spectrum at low temperature shows a wave-vector dispersion and a spectral weight distribution that are similar to those of Na 2 IrO 3 , revealing that the two-dimensional zigzag magnetic correlations in Na x IrO 3 are similar to those in Na 2 IrO 3 in terms of the ordered magnetic moment direction and three dynamically fluctuating zigzag orders. The azimuth angle dependence of the low-energy spectrum corroborates these results. The two-dimensional zigzag magnetic correlations rapidly weaken until 50 K. At high temperatures, the spectral weight distribution of the low-energy excitation resembles that of the pure Kitaev model, indicating that the Kitaev interaction dominates the dynamic magnetic response at high temperature. Here we suggest that the larger crystal field and distortion and the weakened longer-range Heisenberg exchange interactions due to the Na deficiency in Na x IrO 3 contribute to bring Na x IrO 3 away from the zigzag long-range magnetic order phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

3-D Thermal-Electric Finite Element Model of a Nb 3 Sn Coil During a Quench

High field superconducting magnets for particle accelerators often exhibit premature quenches. Once a normal zone is generated within the conductor, the quench may propagate causing temperature and resistive voltage rise along the coil. The resulting thermal gradients can potentially cause new peak stresses that might exceed the tolerable limits, degrading the conductor. The computation of the strain state in the coils during quench then becomes of paramount importance for magnet design, and requires a complete three-dimensional (3-D) analysis of quench phenomena. The objective of this paper is to present the first multiphysics modeling activities towards a new full 3-D methodology for the analysis of magnet mechanics during quench. As a first step, a 3-D thermal-electric finite element model of a Nb 3 Sn superconducting coil is developed and explained here. The model uses direct coupled-field elements to solve the system of thermal and electrical equations. A solving algorithm has also been implemented in order to investigate the physics behind quench transients. The output from this model, built in ANSYS APDL, can be easily coupled in a later stage to a mechanical model in order to estimate the strain state in the coil windings. In conclusion, a very good agreement has been observed between the numerical results and experimental tests performed in individual superconducting cables and real superconducting magnets.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Collective excitations in the tetravalent lanthanide honeycomb antiferromagnet

Thermomagnetic and inelastic neutron-scattering measurements on Na 2 PrO 3 are reported. This material is an antiferromagnetic honeycomb magnet based on the tetravalent lanthanide Pr 4+ and has been proposed to host dominant antiferromagnetic Kitaev interactions. These measurements reveal magnetic fluctuations in Na 2 PrO 3 below an energy of 2 meV as well as crystal-field excitations around 230 meV. Furthermore, the latter energy is comparable to the scale of the spin-orbit interaction and explains both the very small effective moment of around 1.0μB per Pr 4+ and the difficulty to uncover any static magnetic scattering below the ordering transition at T N = 4.6 K. By comparing the low-energy magnetic excitations in Na 2 PrO 3 to those of the isostructural spin-only compound, Na 2 TbO 3 , a microscopic model of exchange interactions is developed that implicates dominant and surprisingly large Heisenberg exchange interactions J≈1.1(1) meV. Although antiferromagnetic Kitaev interactions with K≤0.2J cannot be excluded, the inelastic neutron-scattering data of Na 2 PrO 3 is best explained with a Δ=1.22 easy-axis XXZ exchange anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Discriminating dark energy models by using the Statefinder hierarchy and the growth rate of matter perturbations

We apply the Statefinder hierarchy and the growth rate of matter perturbations to discriminate modified Chaplygin gas (MCG), generalized Chaplygin gas (GCG), superfluid Chaplygin gas (SCG), purely kinetic k-essence (PKK), and ΛCDM model. We plot the evolutional trajectories of these models in the Statefinder plane and in the composite diagnostic plane. We find that GCG, MCG, SCG, PKK, and ΛCDM can be distinguished well from each other at the present epoch by using the composite diagnostic (ε(z), S{sup (1)}{sub 5}). Using other combinations, such as (S{sup (1)}{sub 3}, S{sup (1)}{sub 4}), (S{sup (1)}{sub 3}, S{sub 5}), (ε(z), S{sup (1)}{sub 3}), and (ε(z), S{sub 4}), some of these five dark energy models cannot be distinguished.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Localization of disordered bosons and magnets in random fields

We study localization properties of disordered bosons and spins in random fields at zero temperature. We focus on two representatives of different symmetry classes, hard-core bosons (XY magnets) and Ising magnets in random transverse fields, and contrast their physical properties. We describe localization properties using a locator expansion on general lattices. For 1d Ising chains, we find non-analytic behavior of the localization length as a function of energy at ω=0, ξ{sup −1}(ω)=ξ{sup −1}(0)+A|ω|{sup α}, with α vanishing at criticality. This contrasts with the much smoother behavior predicted for XY magnets. We use these results to approach the ordering transition on Bethe lattices of large connectivity K, which mimic the limit of high dimensionality. In both models, in the paramagnetic phase with uniform disorder, the localization length is found to have a local maximum at ω=0. For the Ising model, we find activated scaling at the phase transition, in agreement with infinite randomness studies. In the Ising model long range order is found to arise due to a delocalization and condensation initiated at ω=0, without a closing mobility gap. We find that Ising systems establish order on much sparser (fractal) subgraphs than XY models. Possible implications of these results for finite-dimensional systems are discussed. -- Highlights: •Study of localization properties of disordered bosons and spins in random fields. •Comparison between XY magnets (hard-core bosons) and Ising magnets. •Analysis of the nature of the magnetic transition in strong quenched disorder. •Ising magnets: activated scaling, no closing mobility gap at the transition. •Ising order emerges on sparser (fractal) support than XY order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Stress management for 3D through-silicon-via stacking technologies - The next frontier -

The status of the development of a Design-for-Stress simulation flow that captures the stress effects in packaged 3D-stacked Si products like integrated circuits (ICs) using advanced via-middle Through Si Via technology is outlined. The next set of challenges required to proliferate the methodology and to deploy it for making and dispositioning real Si product decisions are described here. These include the adoption and support of a Process Design Kit (PDK) that includes the relevant material properties, the development of stress simulation methodologies that operate at higher levels of abstraction in a design flow, and the development and adoption of suitable models required to make real product reliability decisions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The Random Change of Coordination Number in the Blume-Capel Model

The spin-1 Blume-Capel model is investigated under the random change of coordination numbers on the Bethe lattice (BL). Various coordination numbers are taken as couples and varied randomly on the shells of the BL. The randomization is realized in the standard-random approach and the formulation is obtained in terms of exact recursion relations. The phase diagrams are obtained by calculating the places of the second- and first-order phase transitions and tricritical points.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Investigation of the near-surface structures of polar InN films by chemical-state-discriminated hard X-ray photoelectron diffraction

Near-surface structures of polar InN films were investigated by laboratory-based hard X-ray photoelectron diffraction (HXPD) with chemical-state-discrimination. HXPD patterns from In 3d{sub 5/2} and N 1s core levels of the In-polar and N-polar InN films were different from each other and compared with the simulation results using a multiple-scattering cluster model. It was found that the near-surface structure of the In-polar InN film was close to the ideal wurtzite structure. On the other hand, on the N-polar InN film, defects-rich surface was formed. In addition, the existence of the In-polar domains was observed in the HXPD patterns.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Thermodynamic properties of two-component fermionic atoms trapped in a two-dimensional optical lattice

We study the finite-temperature properties of two-component fermionic atoms trapped in a two-dimensional (2D) optical lattice. We apply the self-energy functional approach to the 2D Hubbard model with a harmonic-trapping potential, and systematically investigate the thermodynamic properties of this system. We find that entropy and grand potential provide evidence of a crossover between the Mott-insulating and the metallic phases at certain temperatures. In addition, we find that entropy exhibits a cusplike anomaly at lower temperatures, suggesting a second- or higher-order antiferromagnetic transition. We estimate the antiferromagnetic transition temperatures, and clarify how the trapping potential affects this magnetic transition.

36 MATERIALS SCIENCE↗