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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Is there a path from cuprates towards room-temperature superconductivity?

A brief account is presented of an extensive experiment performed at Brookhaven National Laboratory, aimed at understanding the nature of high-temperature superconductivity in cuprates. Over the course of the last 12 years, over 2000 films of the prototypical high- T c superconductor, La 2-x Sr x CuO 4 , have been synthesized using atomic-layer-by-layer molecular beam epitaxy (ALL-MBE), characterized by a range of techniques, and patterned into devices. These were then used to measure accurately the key physical parameters in both the superconducting and the normal states, and establish their precise dependence on doping, temperature, and external fields. Our results bring in some great surprises, challenge the commonly held beliefs, rule out many theoretical models, and point to a new path for raising T c even further.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Finite range and upper branch effects on itinerant ferromagnetism in repulsive Fermi gases: Bethe–Goldstone ladder resummation approach

We investigate the ferromagnetic transition in repulsive Fermi gases at zero temperature with upper branch and effective range effects. Based on a general effective Lagrangian that reproduces precisely the two-body s-wave scattering phase shift, we obtain a nonperturbative expression of the energy density as a function of the polarization by using the Bethe–Goldstone ladder resummation. For hard sphere potential, the predicted critical gas parameter k{sub F}a=0.816 and the spin susceptibility agree well with the results from fixed-node diffusion Monte Carlo calculations. In general, positive and negative effective ranges have opposite effects on the critical gas parameter k{sub F}a: While a positive effective range reduces the critical gas parameter, a negative effective range increases it. For attractive potential or Feshbach resonance model, the many-body upper branch exhibits an energy maximum at k{sub F}a=α with α=1.34 from the Bethe–Goldstone ladder resummation, which is qualitatively consistent with experimental results. The many-body T-matrix has a positive-energy pole for k{sub F}a>α and it becomes impossible to distinguish the bound state and the scattering state. These positive-energy bound states become occupied and therefore the upper branch reaches an energy maximum at k{sub F}a=α. In the zero range limit, there exists a narrow window (0.86<k{sub F}a<1.56) for the ferromagnetic phase. At sufficiently large negative effective range, the ferromagnetic phase disappears. On the other hand, the appearance of positive-energy bound state resonantly enhances the two-body decay rate around k{sub F}a=α and may prevent the study of equilibrium phases and ferromagnetism of the upper branch Fermi gas. - Highlights: • Nonperturbative interaction energy is obtained within the Bethe–Goldstone ladder resummation approach. • Positive and negative effective ranges have opposite effects on the critical gas parameter. • The upper branch Fermi gas exhibits an energy maximum and reentrant ferromagnetic transition. • The ferromagnetic phase disappears for large and negative effective ranges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A holographic model for pseudogap in BCS–BEC crossover (I): Pairing fluctuations, double-trace deformation and dynamics of bulk bosonic fluid

We build a holographic model for the pairing fluctuation pseudogap phase in fermionic high temperature superconductivity/superfluidity based on the BCS–BEC crossover scenario. The pseudogap originates from incoherent Cooper pairing and has been observed in recent cold atom experiments. The strength of Cooper pairing and hence the BCS–BEC crossover is controlled by an effective 4-Fermi interaction and we argue that the double-trace deformation for charged scalar operator is a close analog in large N field theories. We employ the double-trace deformed Abelian Higgs model of holographic superconductors and propose that the incoherent fluctuations of the charged scalar in the bulk is the holographic dual of the fluctuating Cooper pairs. Using a Madelung transformation and the velocity-potential formalism, we develop a quantum fluid dynamics as an effective theory for these bulk fluctuations. The new fluid dynamics takes care of the boundary conditions required by AdS/CFT and encodes the vacuum polarization effect in curved spacetime. The pseudogap in conductivity can be related to the plasma oscillation of this bulk fluid.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Hundness versus Mottness in a three-band Hubbard–Hund model: On the origin of strong correlations in Hund metals☆

Hund metals are multi-orbital systems with moderate Coulomb interaction, U, among charges and sizeable Hund’s rule coupling, J(<U), that aligns the spins in different orbitals. They show strong correlation effects, like very low Fermi-liquid coherence scales and intriguing incoherent transport regimes, resulting in bad metallic behavior. But to what extent are these strong correlations governed by Mottness, i.e. the blocking of charge fluctuations close to a Mott insulator transition (MIT) induced by U, or by Hundness, a new route towards strong correlations induced by J? To answer this question, we study the full phase diagram of a degenerate three-band Hubbard–Hund model on a Bethe lattice at zero temperature using single-site dynamical mean-field theory and the numerical renormalization group as efficient real-frequency multi-band impurity solver. Hund metal behavior occurs in this minimal model for a filling close to n{sub d}=2, moderate U and sizeable J, the “Hund-metal regime”. In particular, strong correlations manifest themselves there by an unusually low quasiparticle weight. Generalizing previous results on this model, we show that “spin–orbital separation” (SOS) is a generic Hund’s-coupling-induced feature in the whole metallic regime of the phase diagram for 1<n{sub d}<3 and sizeable J. There orbital screening always occurs at much higher energies than spin screening below which Fermi-liquid behavior sets in. The low quasiparticle weight can then be directly explained in terms of the Hund’s-coupling-reduced Fermi-liquid scale. We carefully analyze the effect of J (Hundness), and the effect of the MIT at n{sub d}=2 and n{sub d}=3 (Mottness) on the energy scales and the nature of SOS. In the Hund-metal regime, far from any MIT, Hundness is shown to be the key player to induce strong correlations by constraining the spin rather than the charge dynamics. There, physical properties are governed by a broad incoherent energy regime of SOS where intriguing Hund metal physics occurs: large, almost unscreened spins are coupled to screened orbital degrees of freedom. With increasing proximity to an MIT correlations are further enhanced and the Fermi-liquid scale is further reduced. However, in the Hund-metal regime, this effect of Mottness is minor. In contrast, very close to the MIT at n{sub d}=2, the incoherent spin–orbital separation regime is strongly downscaled and becomes negligibly small, whereas Mottness – the localization of charges – becomes dominant in inducing strong correlations. Close to the MIT at n{sub d}=3, the SOS regime widens up because the orbital degrees of freedom get blocked by the formation of an S=(3/2) impurity spin, but its nature changes: the orbital and spin dynamics get decoupled. Our results confirm Hundness as a distinct mechanism towards strong correlations in the normal state of Hund metals, leading to various interesting implications for the nature of electronic transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

An asymptotic-preserving Lagrangian algorithm for the time-dependent anisotropic heat transport equation

We propose a Lagrangian numerical algorithm for a time-dependent, anisotropic temperature transport equation in magnetized plasmas in the large guide field regime. The approach is based on an analytical integral formal solution of the parallel (i.e., along the magnetic field) transport equation with sources, and it is able to accommodate both local and non-local parallel heat flux closures. The numerical implementation is based on an operator-split formulation, with two straightforward steps: a perpendicular transport step (including sources), and a Lagrangian (field-line integral) parallel transport step. Algorithmically, the first step is amenable to the use of modern iterative methods, while the second step has a fixed cost per degree of freedom (and is therefore scalable). Accuracy-wise, the approach is free from the numerical pollution introduced by the discrete parallel transport term when the perpendicular to parallel transport coefficient ratio X ⊥ /X ∥ becomes arbitrarily small, and is shown to capture the correct limiting solution when ε = X⊥L 2 ∥ /X1L 2 ⊥ → 0 (with L∥∙ L⊥ , the parallel and perpendicular diffusion length scales, respectively). Therefore, the approach is asymptotic-preserving. We demonstrate the capabilities of the scheme with several numerical experiments with varying magnetic field complexity in two dimensions, including the case of transport across a magnetic island.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Insights on the origin of the Tb5Ge4 magnetocaloric effect

In this report the magnetic, atomic structures and spin-lattice coupling have been thoroughly studied through high magnetic field magnetometry, Synchrotron X-ray diffraction under applied magnetic field and magnetostriction measurements in the Tb5Ge4 compounds. A field induced phase transition from an antiferromagnetic towards a ferromagnetic ordering was confirmed but with absence of structural transformation. This absence has been confirmed experimentally through synchrotron x-ray diffraction under applied field (up to 30 T). Moreover, this absence was explained via a thermodynamic free energy model: first principles calculations determined a large energy gap (ΔE=0.65 eV) between the two possible structures, O(I) and O(II). From magnetic and structural properties, a H-T phase diagram has been proposed for Tb5Ge4. Finally it was observed a large magnetostriction (up to 600 ppm) induced by ΔH=7 T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

What is really extraordinary in cuprate superconductors?

Over the course of three decades of intense study, apart from the exceptionally high critical temperature, many unusual properties of cuprates have been discovered, notably including resistivity linear in temperature, electronic Raman continuum and optical absorption extending throughout the infrared region, pseudogap, hour-glass spin excitation spectrum, etc. However, each of these features have been also observed in other materials, including some that are not even superconducting at all. Here, we describe an extensive experiment in which over 2,000 films of the La 2-x Sr x CuO 4 have been synthesized and studied in detail over the course of the last twelve years. We argue here that, uniquely, in the cuprates an unusual superconducting state, that defies the standard BCS description, develops from an unusual metallic state, in which the rotational symmetry of the electron fluid is spontaneously broken.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Pervasive electronic nematicity in a cuprate superconductor

Here, we describe an extensive experimental study of La 2-x Sr x CuO 4 films synthesized by molecular beam epitaxy and investigated by angle-resolved measurements of transverse resistivity (without applied magnetic field). The data show that an unusual metallic state, in which the rotational symmetry of the electron fluid is spontaneously broken, occurs in a large temperature and doping region. The superconducting state always emerges out of this nematic metal state.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The role of excess vacancies in stabilizing solute clusters in low-alloy steels

The formation of solute clusters in irradiated low-alloy steels, such as reactor pressure vessel steels, is a critical cause of radiation hardening and embrittlement. However, the chemical interactions among solute elements and excess vacancies remain to be fully understood. This study employs density functional theory, cluster expansion, and lattice-based Monte Carlo simulations to examine the stability and morphology of nano-size coherent solute clusters with excess vacancies. The findings reveal that excess vacancies are crucial in stabilizing and promoting the growth of Mn-Ni-Si-vacancy clusters. A minimum of seven vacancies is required for stable nucleation and growth of these clusters. These Mn-Ni-Si clusters act as defect sinks, effectively trapping and absorbing mobile vacancies generated under irradiation. Furthermore, phosphorus (P) preferentially dissolves in Mn-Ni-Si clusters due to chemical coupling with vacancies. In conclusion, this study offers new insights into solute-vacancy interactions, enhancing our understanding of solute-defect cluster formation and embrittlement in low-alloy steels.

36 - MATERIALS SCIENCE↗
DOE OSTI2016

Critical shear rate and torque stability condition for a particle resting on a surface in a fluid flow

In this work, we advance a quantitative description of the critical shear rate $\dot{\gamma}_{c}$ needed to dislodge a spherical particle resting on a surface with a model asperity in laminar and turbulent fluid flows. We have built a cone-plane experimental apparatus which enables measurement of $\dot{\gamma}_{c}$ over a wide range of particle Reynolds number Re p from 10–3 to 1.5 × 10 3 . The condition to dislodge the particle is found to be consistent with the torque balance condition after including the torque component due to drag about the particle center. The data for Re p < 0.5 is in good agreement with analytical calculations of the drag and lift coefficients in the Re p → 0 limit. For higher Rep, where analytical results are unavailable, the hydrodynamic coefficients are found to approach a constant for Re p > 1000. We show that a linear combination of the hydrodynamic coefficients found in the viscous and inertial limits can describe the observed $\dot{\gamma}_{c}$ as a function of the particle and fluid properties.

02 PETROLEUM↗
DOE OSTI2025

Tuning Kinetic Inductance with Doping in Superconducting Electron Gases at the KTaO 3 (111) Interface

We used coplanar waveguide resonators fabricated from the two-dimensional superconductor formed at KTaO 3 (111) interfaces to characterize the superconductor’s sheet kinetic inductance L K/□ . Upon varying the carrier density, in samples with T c ranging from 0.62 to 1.81 K, we can tune L K/□ between 1.88 and 7.42 nH/□ at the lowest temperatures, exceeding the highest values reported for granular aluminum films. The temperature dependence of L K/□ is consistent with a superconducting gap without nodes. The high L K/□ of superconducting KTaO 3 (111) interfacial electron gases combined with the high dielectric constant of KTaO 3 results in resonators with exceedingly low phase velocities (“slow light”) and small mode volumes. In addition, superconducting KTaO 3 (111) interfacial electron gases are robust in magnetic fields well above a Tesla. In conclusion, these features can enable unique device applications in superconducting electronics and quantum information science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Atomistic Mechanisms of Stress-Dependent Molten Salt Corrosion in NiCr Alloys

Ni-based structural alloys in molten salt environments often experience simultaneous mechanical loading and corrosive attack, yet the mechanisms governing stress-corrosion interactions remain unclear. Prior studies largely emphasize tensile stress, while the role of compressive stress has received limited attention. Here, reactive molecular dynamics simulations are used to investigate the coupled effects of applied strain and corrosion in Ni 0.75 Cr 0.25 exposed to molten FLiNaK at 800 °C. A Σ5(210) grain boundary model is subjected to tensile (+4%) to compressive (−4%) uniaxial strains, and corrosion behavior is evaluated through fluorine adsorption, charge redistribution, and grain boundary evolution. Tensile strain accelerates intergranular corrosion susceptibility by reducing local atomic packing through elastic dilation and increasing excess free volume at the grain boundary, which enhances atomic mobility and salt infiltration. In contrast, compressive strain can suppress corrosion by promoting the formation of a ridge-like surface layer along the grain boundary, limiting salt access to the underlying alloy. These results provide atomistic insight into how stress states influence grain boundary corrosion in molten salts.

36 - MATERIALS SCIENCE↗
DOE OSTI2015

Stripe-like nanoscale structural phase separation in superconducting BaPb 1-x Bi x O 3

The phase diagram of BaPb 1-x Bi x O 3 exhibits a superconducting dome in the proximity of a charge density wave phase. For the superconducting compositions, the material coexists as two structural polymorphs. Here we show, via high-resolution transmission electron microscopy, that the structural dimorphism is accommodated in the form of partially disordered nanoscale stripes. Identification of the morphology of the nanoscale structural phase separation enables determination of the associated length scales, which we compare with the Ginzburg–Landau coherence length. We find that the maximum T c occurs when the superconducting coherence length matches the width of the partially disordered stripes, implying a connection between the structural phase separation and the shape of the superconducting dome.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Nanoscale strain-induced pair suppression as a vortex-pinning mechanism in high- temperature superconductors

Boosting large-scale superconductor applications require nanostructured conductors with artificial pinning centres immobilizing quantized vortices at high temperature and magnetic fields. Here we demonstrate a highly effective mechanism of artificial pinning centers in solution-derived high-temperature superconductor nanocomposites through generation of nanostrained regions where Cooper pair formation is suppressed. The nanostrained regions identified from transmission electron microscopy devise a very high concentration of partial dislocations associated with intergrowths generated between the randomly oriented nanodots and the epitaxial YBa{sub 2}Cu{sub 3}O{sub 7} matrix. Consequently, an outstanding vortex-pinning enhancement correlated to the nanostrain is demonstrated for four types of randomly oriented nanodot, and a unique evolution towards an isotropic vortex-pinning behaviour, even in the effective anisotropy, is achieved as the nanostrain turns isotropic. We suggest a new vortex-pinning mechanism based on the bond-contraction pairing model, where pair formation is quenched under tensile strain, forming new and effective core-pinning regions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Anisotropic impurity states, quasiparticle scattering and nematic transport in underdoped Ca(Fe1-xCo x )2As2

Iron-based high-temperature superconductivity develops when the ‘parent’ antiferromagnetic/orthorhombic phase is suppressed, typically by introduction of dopant atoms1. But their impact on atomic-scale electronic structure, although in theory rather complex2,3,4,5,6,7,8,9,10,11,12,13, is unknown experimentally. What is known is that a strong transport anisotropy14,15,16,17,18,19,20,21,22,23,24,25 with its resistivity maximum along the crystal b axis14,15,16,17,18,19,20,21,22,23,24,25, develops with increasing concentration of dopant atoms14,20,21,22,23,24,25; this ‘nematicity’vanishes when the parent phase disappears near the maximum superconducting Tc. The interplay between the electronic structure surrounding each dopant atom, quasiparticle scattering therefrom and the transport nematicity has therefore become a pivotal focus7,8,12,22,23 of research into these materials. Here, by directly visualizing the atomic-scale electronic structure, we show that substituting Co for Fe atoms in underdoped Ca(Fe1-xCox)2As2 generates a dense population of identical anisotropic impurity states. Each is ~ 8 Fe–Fe unit cells in length, and all are distributed randomly but aligned with the antiferromagnetic a axis. By imaging their surrounding interference patterns, we further demonstrate that these impurity states scatter quasiparticles in a highly anisotropic manner, with the maximum scattering rate concentrated along the b axis. These data provide direct support for the recent proposals7,8,12,22,23 that it is primarily anisotropic scattering by dopant-induced impurity states that generates the transport nematicity; they also yield simple explanations for the enhancement of the nematicity proportional to the dopant density14,20,21,22,23,24,25 and for the occurrence of the highest resistivity along the b axis14,15,16,17,18,19,20,21,22,23,24,25.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗