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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Luther-Emery liquid and dominant singlet superconductivity in the hole-doped Haldane spin-1 chain

We investigate the pairing tendencies in the hole-doped Haldane spin-1 chain. To allow for doping, we extend the original spin chain Hamiltonian into a fermionic model involving a two-orbital Hubbard chain at intermediate or strong repulsive interaction strengths U and for degenerate orbitals. At half filling and large U, the ferromagnetic Hund's coupling, J H , generates effective spin-1 moments, with antiferromagnetic correlations between sites. Using large-scale density matrix renormalization group calculations, we accurately study the system's behavior under light hole-doping. For U = 1.6 in units of the noninteracting bandwidth and for J H /U ≳ 0.275, we find that singlet pairing dominates the long-distance physics, establishing this system as a promising platform for repulsively mediated superconductivity. We provide concrete examples of materials that could realize the physics described here. We also provide evidence that the system approaches a Luther-Emery liquid state at large system sizes, reminiscent of the behavior of doped one-orbital two-leg ladders at weak coupling, which also have superconducting tendencies. The numerically calculated central charge approaches one in the thermodynamic limit, indicating a single gapless mode as is expected for the Luther-Emery state. Exponents characterizing the power-law decays of singlet pair-pair and charge density-density correlations are determined, and found to approximately satisfy the Luther-Emery identity.

1-dimensional systems↗
DOE OSTI2012

Phase transitions and critical properties of the frustrated Heisenberg model on a layer triangular lattice with next-to-nearest-neighbor interactions

The critical behavior of the three-dimensional antiferromagnetic Heisenberg model with nearest-neighbor (J) and next-to-nearest-neighbor (J{sub 1}) interactions is studied by the replica Monte Carlo method. The first-order phase transition and pseudouniversal critical behavior of this model are established for a small lattice in the interval R = vertical bar J{sub 1}/J vertical bar = 0-0.115. A complete set of the main static magnetic and chiral critical indices is calculated in this interval using the finite-dimensional scaling theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Transition between positive and negative permittivity in field-dependent metamaterial

Permittivity in a metamaterial, which depends on the electric field of a propagating electromagnetic wave, induces anomalous responses against electromagnetic waves. When we consider discharge plasma an example of a metamaterial with field-dependent permittivity and negative permeability, a transition takes place between positive and negative permittivity, leading to reflection of waves in a low-field branch and transmission by the creation of a negative-refractive-index medium in a high-field branch. Nonlinearity in the phase space of the permittivity and the electric field in this system trigger this dynamic transition, which is suggested in the numerical results and clarified in an analytical model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

A study of plasmonic enhanced transmission effects in nano-optics

This project was a numerical study of the behavior of surface plasmons in nano-systems, focusing on the interaction between plasmons, light, and nano-scale structures such as nano-scale metallic wires and quantum wires/dots. The primary results of the project included: a) the demonstration of the use of surface plasmons to modify the spatial coherence of a light wave, b) the demonstration of a feasible plasmonic superresolved readout system, and c) the demonstration of a Plasmonic Zeno effect, in which the attenuation of a light wave in metal is suppressed by breaking up the metal into a collection of structured layers. The integration of quantum wire/dot effects with the plasmonic simulations proved to be harder than expected, in large part due to the lack of accurate and simple quantum dot models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Progress report of Sandia National Laboratories (SNL) contribu- tion to IAEA CRP F11016 on ?Utilization of ion accelerators for studying and modeling of radiation induced defects in semicon- ductors and insulators? 3rd RCM.

This report presents the results of Sandia National Laboratories’ (SNL) contribution to IAEA CRP F11016 as mostly raw data. The goal of this CRP is to study the effects of radiation on semiconductors and insulators with the emphasis on the effect of displacement damage due to MeV energy ions on the performance of semiconductor detectors and microelectronic devices. SNL is tasked with performing electrical characterization, irradiation, and IBIC, DLTS, C-­V measurements on devices used in the CRP, as well as calculating damage and ionization profiles for modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Thermodynamic and Kinetic Modeling on Thermal Segregation of Phosphorus in Iron

Radiation induced segregation (RIS) has been frequently reported in structural materials such as austenitic, ferritic, and ferritic-martensitic stainless steels (SS) that have been widely used in light water reactors (LWRs). RIS has been linked to secondary degradation effects in SS including irradiation induced stress corrosion cracking (IASCC). Earlier studies on thermal segregation in Fe based alloys found that metalloids elements such as P, S, Si, Ge, Sn etc. embrittle the materials when enrichment was observed at grain boundaries. RIS of Fe-Cr-Ni based austenitic steels has been modeled in the U.S. 2015 fiscal year (FY2015), which identified the pre-enrichment due to thermal segregation can have an important role on the subsequent RIS. The goal of this work is to develop thermal segregation models for alloying elements in steels for future integration with RIS modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Exotic Kondo Phases: the non-Kramers Doniach phase diagram

This is the final report for the early career award “Exotic Kondo Phases: the non-Kramers Doniach phase diagram”. This project searched for exotic novel phases in heavy fermion materials and explored the possible phases of the two-channel Kondo model. Significant results include an enhanced understanding of the channel-symmetry breaking heavy Fermi liquid and its spinorial nature; a novel platform for realizing Majorana defects in topological defects in two-channel Kondo insulators; and a new non-equilibrium way to realize multi-channel Kondo models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Dynamics of entanglement in a two-dimensional spin system

We consider the time evolution of entanglement in a finite two-dimensional transverse Ising model. The model consists of a set of seven localized spin-(1/2) particles in a two-dimensional triangular lattice coupled through nearest-neighbor exchange interaction in the presence of an external time-dependent magnetic field. The magnetic field is applied in different function forms: step, exponential, hyperbolic, and periodic. We found that the time evolution of the entanglement shows an ergodic behavior under the effect of the time-dependent magnetic fields. Also, we found that while the step magnetic field causes great disturbance to the system, creating rapid oscillations, the system shows great controllability under the effects of the other magnetic fields where the entanglement profile follows closely the shape of the applied field even with the same frequency for periodic fields. This follow-up trend breaks down as the strength of the field, the transition constant for the exponential and hyperbolic forms, or the frequency for periodic field increase leading to rapid oscillations. We observed that the entanglement is very sensitive to the initial value of the applied periodic field: the smaller the initial value is, the less distorted the entanglement profile is. Furthermore, the effect of thermal fluctuations is very devastating to the entanglement, which decays very rapidly as the temperature increases. Interestingly, although a large value of the magnetic field strength may yield a small entanglement, the magnetic field strength was found to be more persistent against thermal fluctuations than the small field strengths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Effects of ternary mixed crystal and size on optical phonons in wurtzite nitride core-shell nanowires

Within the framework of dielectric continuum and Loudon's uniaxial crystal models, existence conditions dependent on components and frequencies for optical phonons in wurtzite nitride core-shell nanowires (CSNWs) are discussed to obtain dispersion relations and electrostatic potentials of optical phonons in In{sub x}Ga{sub 1−x}N/GaN CSNWs. The results show that there may be four types of optical phonons in In{sub x}Ga{sub 1−x}N/GaN CSNWs for a given ternary mixed crystal (TMC) component due to the phonon dispersion anisotropy. This property is analogous to wurtzite planar heterojunctions. Among the optical phonons, there are two types of quasi-confined optical (QCO) phonons (named, respectively, as QCO-A and QCO-B), one type of interface (IF) phonons and propagating (PR) phonons existing in certain component and frequency domains while the dispersion relations and electrostatic potentials of same type of optical phonons vary with components. Furthermore, the size effect on optical phonons in CSNWs is also discussed. The dispersion relations of IF and QCO-A are independent of the boundary location of CSNWs. Meanwhile, dispersion relations and electrostatic potentials of QCO-B and PR phonons vary obviously with size, especially, when the ratio of a core radius to a shell radius is small, and dispersion relation curves of PR phonons appear to be close to each other, whereas, this phenomenon disappears when the ratio becomes large. Based on our conclusions, one can further discuss photoelectric properties in nitride CSNWs consisting of TMCs associated with optical phonons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Dynamic polarization of carbon nano-structures by charged particles

A brief review is presented of several models used to describe dynamic polarization of carbon nanostructures by charged particles moving in a broad range of incident velocities. For low-energy excitations of graphene we use the polarization function for its π electron bands in the Dirac cone approximations within a dielectric response approach that includes the transverse optical phonons in a polar substrate. For high-energy excitations by fast electrons we use a two-dimensional hydrodynamic model for the π and σ electron systems in the sp{sup 2} bonded carbon with various geometrical shapes. In particular, we use second quantization of the hydrodynamic model to show that large numbers of plasmons may be excited by moderately fast electrons in a C{sub 60} molecule. Results of the theoretical modeling are compared with several experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Multimer formation in one-dimensional two-component gases and trimer phase in the asymmetric attractive Hubbard model

We consider two-component one-dimensional quantum gases at special imbalanced commensurabilities which lead to the formation of multimer (multiparticle bound-states) as the dominant order parameter. Luttinger liquid theory supports a mode-locking mechanism in which mass (or velocity) asymmetry is identified as the key ingredient to stabilize such states. While the scenario is valid both in the continuum and on a lattice, the effects of umklapp terms relevant for densities commensurate with the lattice spacing are also mentioned. These ideas are illustrated and confronted with the physics of the asymmetric (mass-imbalanced) fermionic Hubbard model with attractive interactions and densities such that a trimer phase can be stabilized. Phase diagrams are computed using density-matrix renormalization group techniques, showing the important role of the total density in achieving the latter phase. The effective physics of the trimer gas is studied as well. Last, the effect of a parabolic confinement and the emergence of a crystal phase of trimers are briefly addressed. This model has connections with the physics of imbalanced two-component fermionic gases and Bose-Fermi mixtures as the latter gives a good phenomenological description of the numerics in the strong-coupling regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Uniform and nonuniform thermal switching of magnetic particles

The pulse-noise method to systems of classical spins weakly interacting with the bath has been applied to study thermally activated escape of magnetic nanoparticles over the uniform and nonuniform energy barriers at intermediate and low damping. The validity of approximating a single-domain particle by a single spin is investigated. Barriers for a nonuniform escape of elongated particles for the uniaxial model with transverse and longitudinal field have been worked out. Pulse-noise computations have been done for finite magnetic chains. The linear stability of the uniform barrier state has been investigated. The crossover between uniform and nonuniform barrier states has been researched with the help of the variational approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Communication: Electron diffraction of ferrocene in superfluid helium droplets

We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of the doping process. This method can be used for studies of nucleation processes in superfluid helium droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Exactly soluble model of boundary degeneracy

We investigate the topological degeneracy that can be realized in Abelian fractional quantum spin Hall states with multiply connected gapped boundaries. Such a topological degeneracy (also dubbed as “boundary degeneracy”) does not require superconducting proximity effect and can be created by simply applying a depletion gate to the quantum spin Hall material and using a generic spin-mixing term (e.g., due to backscattering) to gap out the edge modes. We construct an exactly soluble microscopic model manifesting this topological degeneracy and solve it using the recently developed technique [S. Ganeshan and M. Levin, Phys. Rev. B 93, 075118 (2016)]. The corresponding string operators spanning this degeneracy are explicitly calculated. It is argued that the proposed scheme is experimentally reasonable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Refractive index of lithium fluoride at high dynamic stresses

Alkali halides are prototypical ionic solids whose refractive index is a fundamental property related to their lattice structure and ionic polarizability. In particular, lithium fluoride (LiF) has the largest band gap of any known transparent material and maintains transparency at high pressures, making it well suited for use as an optical window in dynamic compression experiments. While empirical fits to the measured density dependence of the refractive index have been provided, a model that is valid over the entire pressure range of experiments and based on a polarization-based theoretical description is lacking. We present a refractive index model for dynamically compressed LiF based on the Lorentz-Lorenz equation, where the molecular polarizability is determined using a single oscillator model with a strain polarizability parameter Λ=0.73. Here, we show that our modeling approach provides an excellent match to the LiF refractive index data for both shock and ramp compression experiments to 900 GPa (density compression greater than threefold). Additionally, updated fits are provided to determine the refractive index correction for LiF windows used in dynamic compression experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Phenomenological three-orbital spin-fermion model for cuprates

A spin-fermion model that captures the charge-transfer properties of Cu-based high critical temperature superconductors is proposed and investigated via Monte Carlo simulations. The strong Coulomb repulsion among d electrons in the Cu orbitals is phenomenologically replaced by an exchange coupling between the spins of the itinerant electrons and localized spins at the Cu sites, formally similar to double-exchange models for manganites. This interaction induces a charge-transfer insulator gap in the undoped case (five electrons per unit cell). Adding a small antiferromagnetic Heisenberg coupling between localized spins reinforces the global tendency towards antiferromagnetic order. To perform numerical calculations the localized spins are considered classical as in previous related efforts. Here, undoped and doped 8×8 clusters are analyzed in a wide range of temperatures. The numerical results reproduce experimental features in the one-particle spectral function and the density of states, such as: (i) the formation of a Zhang-Rice-like band with a dispersion on the order of ~0.5 eV and with rotational symmetry about the wave-vector (π/2,π/2) at the top of the band and (ii) the opening of a pseudogap at the chemical potential upon doping. We also observed incipient tendencies towards spin incommensurability. This simple model allows for an unbiased study of charge-transfer insulators and offers a formalism intermediate between standard mean-field approximations that fail at finite temperatures in regimes with short-range order and sophisticated quantum Monte Carlo techniques that suffer sign problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Plate Fin Heat Exchanger Model with Axial Conduction and Variable Properties

Future superconducting radio frequency (SRF) cavities, as part of Project X at Fermilab, will be cooled to superfluid helium temperatures by a cryogenic distribution system supplying cold supercritical helium. To reduce vapor fraction during the final Joule-Thomson (J-T) expansion into the superfluid helium cooling bath, counter-flow, plate-fin heat exchangers will be utilized. Due to their compact size and ease of fabrication, plate-fin heat exchangers are an effective option. However, the design of compact and high-effectiveness cryogenic heat exchangers operating at liquid helium temperatures requires consideration of axial heat conduction along the direction of flow, in addition to variable fluid properties. Here we present a numerical model that includes the effects of axial conduction and variable properties for a plate fin heat exchanger. The model is used to guide design decisions on heat exchanger material choice and geometry. In addition, the J-T expansion process is modeled with the heat exchanger to analyze the effect of heat load and cryogenic supply parameters. A numerical model that includes the effects of axial conduction and variable properties for a plate fin heat exchanger was developed and the effect of various design parameters on overall heat exchanger size was investigated. It was found that highly conductive metals should be avoided in the design of compact JT heat exchangers. For the geometry considered, the optimal conductivity is around 3.5 W/m-K and can range from 0.3-10 W/m-K without a large loss in performance. The model was implemented with an isenthalpic expansion process. Increasing the cold side inlet temperature from 2K to 2.2 K decreased the liquid fraction from 0.856 to 0.839 which corresponds to a 0.12 g/s increase in supercritical helium supply needed to maintain liquid level in the cooling bath. Lastly, it was found that the effectiveness increased when the heat load was below the design value. Therefore, the heat exchanger should be sized on the high end of the required heat load.

43 PARTICLE ACCELERATORS↗