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Results for “SUPERFLUID MODEL”

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Phase Diagram at Finite Chemical Potentials in the Nambu-Jona-Lasinio Model

We study the phase diagram of two flavor dense QCD at finite isospin and baryon chemical potentials in the framework of Nambu-Jona-Lasinio model. The system undergoes a crossover from a Bose-Einstein condensate of charged pions to a BCS superfluid with condensed quark-antiquark Cooper pairs when {mu}{sub I} increases at {mu}{sub B} = 0, and a nonzero baryon chemical potential serves as a mismatch between the pairing species. We observe a gapless pion condensation phase near the quadruple point ({mu}{sub I},{mu}{sub B}) = (m{sub {pi}},M{sub N}-1.5m{sub {pi}}) where m{sub {pi}}, M{sub N} are the vacuum masses of pions and nucleons, respectively. At very large isospin chemical potential, {mu}{sub I}>6.36m{sub {pi}}, an inhomogeneous LOFF superfluid phase appears in a window of {mu}{sub B}. Between the gapless and the LOFF phases, the pion superfluid phase and the normal quark matter phase are connected by a first order phase transition.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Understanding grain boundary segregation under irradiation: A mesoscale modeling study

Grain boundaries (GBs) are an important component in the design of irradiation resistant materials as they play a crucial role as point defect sinks for non-equilibrium vacancies and self-interstitials. However, in the presence of sustained point defect fluxes, the coupled transport of atomic components with inherently different diffusivities often leads to radiation-induced segregation (RIS), with undesired effects on properties such as intergranular corrosion and stress-assisted cracking. In this talk, we investigate the fundamental mechanisms leading to GB segregation in BCC FeCr-based alloys using multiscale modeling and experiments. A phase-field model is employed to account for both thermodynamic and kinetic segregation mechanisms. The full Onsager transport matrix is derived using kinetic Monte Carlo, molecular dynamics, and kinetic cluster expansion (KineCluE) calculations. The thermodynamics of GB segregation is described via an atomic density-based modification to the CALPHAD free energy. The modeling predictions are then compared against segregation data from atom probe characterization for various temperatures, compositions, and neutron irradiation conditions. We will conclude by discussing the utility of the multiscale modeling approach to shed light on the fundamental mechanisms leading to solute-GB interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Critical Properties of the Anisotropic Ising Model with Competitive Interactions in the Region of a Phase Transition from the Modulated Phase to the Paramagnetic One

Monte Carlo methods are used to study the anisotropic Ising model with competing interactions in the region of the phase transition from the modulated to the paramagnetic phase. Using histogram analysis of Monte Carlo data and the theory of finite-size scaling, it is shown that the transition from the modulated state to the paramagnetic one is a second-order phase transition. The critical parameters and temperatures of phase transitions in this region are calculated. It is shown that the modulated–paramagnetic phase transition cannot be described within the framework of the known universality classes of critical behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Plasma analogy and non-Abelian statistics for Ising-type quantum Hall states

We study the non-Abelian statistics of quasiparticles in the Ising-type quantum Hall states which are likely candidates to explain the observed Hall conductivity plateaus in the second Landau level, most notably the one at filling fraction {nu}=5/2. We complete the program started in V. Gurarie and C. Nayak, [Nucl. Phys. B 506, 685 (1997)]. and show that the degenerate four-quasihole and six-quasihole wave functions of the Moore-Read Pfaffian state are orthogonal with equal constant norms in the basis given by conformal blocks in a c=1+(1/2) conformal field theory. As a consequence, this proves that the non-Abelian statistics of the excitations in this state are given by the explicit analytic continuation of these wave functions. Our proof is based on a plasma analogy derived from the Coulomb gas construction of Ising model correlation functions involving both order and (at most two) disorder operators. We show how this computation also determines the non-Abelian statistics of collections of more than six quasiholes and give an explicit expression for the corresponding conformal block-derived wave functions for an arbitrary number of quasiholes. Our method also applies to the anti-Pfaffian wave function and to Bonderson-Slingerland hierarchy states constructed over the Moore-Read and anti-Pfaffian states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Attractive Su-Schrieffer-Heeger-Hubbard model on a square lattice away from half-filling

The Su-Schrieffer-Heeger (SSH) model, with bond phonons modulating electron tunneling, is a paradigmatic electron-phonon model that hosts an antiferromagnetic order to bond order transition at half-filling. In the presence of a repulsive Hubbard interaction, the antiferromagnetic phase is enhanced, but the phase transition remains first order. Here, we explore the physics of the SSH model with an attractive Hubbard interaction, which hosts an interesting interplay among charge order, s-wave pairing, and bond order. Using the numerically exact determinant quantum Monte Carlo method, we show that both charge order, present at weak electron-phonon coupling, and bond order, at large coupling, give way to s-wave pairing when the system is doped. Lastly, we demonstrate that the SSH electron-phonon interaction competes with the attractive Hubbard interaction and reduces the s-wave pairing correlation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Pair Density Wave Order from Electron Repulsion

A pair density wave (PDW) is a superconductor whose order parameter is a periodic function of space, without an accompanying spatially uniform component. Since PDWs are not the outcome of a weak-coupling instability of a Fermi liquid, a generic pairing mechanism for PDW order has remained elusive. Here, we describe and solve models having robust PDW phases. To access the intermediate coupling limit, we invoke large-$N$ limits of Fermi liquids with repulsive BCS interactions that admit saddle point solutions. We show that the requirements for long-range PDW order are that the repulsive BCS couplings must be nonmonotonic in space and that their strength must exceed a threshold value. We obtain a phase diagram with both finite temperature transitions to PDW order and a $T = 0$ quantum critical point, where non-Fermi liquid behavior occurs.

2-dimensional systems↗
DOE OSTI2022

Solvable 3D Kondo Lattice Exhibiting Pair Density Wave, Odd-Frequency Pairing, and Order Fractionalization

The Kondo lattice model plays a key role in our understanding of quantum materials, but a lack of small parameters has posed a long-standing problem. We present a 3 dimensional S= 1 2 Kondo lattice model describing a spin liquid within an electron sea. Strong correlations in the spin liquid are treated exactly, enabling a controlled analytical approach. Like a Peierls or BCS phase, a logarithmically divergent susceptibility leads to an instability into a new phase at arbitrarily small Kondo coupling. Our solution captures a plethora of emergent phenomena, including odd-frequency pairing, pair density wave formation and order fractionalization. The ground-state state is a pair density wave with a fractionalized charge e, S = 1/2 order parameter, formed between electrons and Majorana fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Pulse-noise approach for classical spin systems

For systems of classical spins interacting with the bath via damping and thermal noise, a technique is suggested to replace the white noise by a pulse noise acting at regular time intervals Δ t , within which the system evolves conservatively. The method is working well in the typical case of a small dimensionless damping constant λ and allows a considerable speedup of computations by using high-order numerical integrators with a large time step δ t (up to a fraction of the precession period), while keeping δ t ≪ Δ t to reduce the relative contribution of noise-related operations. In cases when precession can be discarded, δ t can be increased up to a fraction of the relaxation time ∝ 1 / λ that leads to a further speedup. This makes equilibration speed comparable with that of the Metropolis Monte Carlo method. The pulse-noise approach is tested on single-spin and multispin models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Modelling morphology evolution during solidification of IPP in processing conditions

During polymer processing, crystallization takes place during or soon after flow. In most of cases, the flow field dramatically influences both the crystallization kinetics and the crystal morphology. On their turn, crystallinity and morphology affect product properties. Consequently, in the last decade, researchers tried to identify the main parameters determining crystallinity and morphology evolution during solidification In processing conditions. In this work, we present an approach to model flow-induced crystallization with the aim of predicting the morphology after processing. The approach is based on: interpretation of the FIC as the effect of molecular stretch on the thermodynamic crystallization temperature; modeling the molecular stretch evolution by means of a model simple and easy to be implemented in polymer processing simulation codes; identification of the effect of flow on nucleation density and spherulites growth rate by means of simple experiments; determination of the condition under which fibers form instead of spherulites. Model predictions reproduce most of the features of final morphology observed in the samples after solidification.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Lattice architecture effect on the cooperativity of spin transition coordination polymers

We have investigated in the framework of the Ising-like model, by means of Monte Carlo Metropolis method with open boundary condition, the architecture effect on the cooperativity of spin transition coordination polymers. We have analyzed the influence of several physical parameters (size, pressure, and edge effects) on different lattice architectures which were in good agreement with reported experimental data. We show that the cooperativity of a spin crossover system, characterized by the same number of molecules and the same short- and long-range interaction parameters, is progressively enhanced when going from a 1D chain to a 1D ladder type lattice and to a 2D square lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Tuning the hydrophobicity of mica surfaces by hyperthermal Ar ion irradiation

The hydrophobicity of surfaces has a strong influence on their interactions with biomolecules such as proteins. Therefore, for in vitro studies of bio-surface interactions model surfaces with tailored hydrophobicity are of utmost importance. Here, we present a method for tuning the hydrophobicity of atomically flat mica surfaces by hyperthermal Ar ion irradiation. Due to the sub-100 eV energies, only negligible roughening of the surface is observed at low ion fluences and also the chemical composition of the mica crystal remains almost undisturbed. However, the ion irradiation induces the preferential removal of the outermost layer of K{sup +} ions from the surface, leading to the exposure of the underlying aluminosilicate sheets which feature a large number of centers for C adsorption. The irradiated surface thus exhibits an enhanced chemical reactivity toward hydrocarbons, resulting in the adsorption of a thin hydrocarbon film from the environment. Aging these surfaces under ambient conditions leads to a continuous increase of their contact angle until a fully hydrophobic surface with a contact angle >80 deg. is obtained after a period of about 3 months. This method thus enables the fabrication of ultrasmooth biological model surfaces with precisely tailored hydrophobicity.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Two-particle photoemission from strongly correlated systems: A dynamical mean-field approach

We study theoretically the simultaneous photoinduced two-particle excitations of strongly correlated systems on the basis of the Hubbard model. Under certain conditions specified in this work, the corresponding transition probability is related to the two-particle spectral function which we calculate using three different methods: the dynamical mean-field theory combined with quantum Monte Carlo technique, the first-order perturbation theory and the ladder approximations. The results are analyzed and compared for systems at the verge of the metal-insulator transitions. The dependencies on the electronic correlation strength and on doping are explored. In addition, the account for the orbital degeneracy allows an insight into the influence of interband correlations on the two-particle excitations. A suitable experimental realization is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates

In this work, we have studied the TMA/H{sub 2}O (TMA = Al(CH{sub 3}){sub 3}) atomic layer deposition (ALD) of Al{sub 2}O{sub 3} on hydroxyl (OH) and thiol (SH) terminated semiconductor substrates. Total reflection x-ray fluorescence reveals a complex growth-per-cycle evolution during the early ALD reaction cycles. OH and SH terminated surfaces demonstrate growth inhibition from the second reaction cycle on. Theoretical calculations, based on density functional theory, are performed on cluster models to investigate the first TMA/H{sub 2}O reaction cycle. Based on the theoretical results, we discuss possible mechanisms for the growth inhibition from the second reaction cycle on. In addition, our calculations show that AlCH{sub 3} groups are hydrolyzed by a H{sub 2}O molecule adsorbed on a neighboring Al atom, independent of the type of backbonds (Si-O, Ge-O, or Ge-S) of AlCH{sub 3}. The coordination of Al remains four-fold after the first TMA/H{sub 2}O reaction cycle.

36 MATERIALS SCIENCE↗
DOE OSTI2018

d -wave superconductivity in the presence of nearest-neighbor Coulomb repulsion

Dynamic cluster quantum Monte Carlo calculations for a doped two-dimensional extended Hubbard model are used to study the stability and dynamics of d-wave pairing when a nearest-neighbor Coulomb repulsion V is present in addition to the on-site Coulomb repulsion U. We find that d-wave pairing and the superconducting transition temperature Tc are only weakly suppressed as long as V does not exceed U/2. This stability is traced to the strongly retarded nature of pairing that allows the d-wave pairs to minimize the repulsive effect of V. When V approaches U/2, large momentum charge fluctuations are found to become important and to give rise to a more rapid suppression of d-wave pairing and T c than for smaller V.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Magnetic properties and concurrence for fluid {sup 3}He on kagome lattice

We present the results of magnetic properties and entanglement for kagome lattice using Heisenberg model with two- and three-site exchange interactions in strong magnetic field. Kagome lattice correspond to the third layer of fluid {sup 3}He absorbed on the surface of graphite. The magnetic properties and concurrence as a measure of pairwise thermal entanglement are studied by means of variational mean-field like treatment based on Gibbs-Bogoliubov inequality. The system exhibits different magnetic behaviors depending on the values of the exchange parameters (J{sub 2}, J{sub 3}). We have obtained the magnetization plateaus at low temperatures. The central theme of the paper is comparing the entanglement and magnetic behavior for kagome lattice. We have found that in the antiferromagnetic region behavior of the concurrence coincides with the magnetic susceptibility one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Theory of d-Wave High Temperature Superconductivity in the Cuprates Involving Non-linear Lattice Modes

The transition mechanism in high temperature cuprate superconductors is an outstanding puzzle. A previous suggestion on the role of non-linear local lattice instability modes on the microscopic pairing mechanism in high temperature cuprate superconductors (Lee, J. Supercond. Nov. Magn. 23(3), 333; 2009) is re-examined to provide a viable mechanism for superconductivity in these cuprates via an unusual lattice vibration in which an electron is predominantly interacting with a non-linear Q{sub 2} mode of the oxygen clusters in the CuO{sub 2} planes. It is shown that the interaction has explicit d-wave symmetry and leads to an indirect coupling of d-wave symmetry between electrons. As a follow-up of Lee (J. Supercond. Nov. Magn. 23(3), 333; 2009), in this paper, we report detailed derivation of the superconducting gap equation and numerical solutions for the transition temperature as inherently integrated into the so-called extended Hubbard model (EHM). A unique feature in the EHM is that the transition temperature has an inherent k-dependence. In addition, superconducting gap solutions are restrained to specific regions in the first Brillouin zone (1BZ). It is very feasible to expect that the EHM naturally inherits a huge parameter space in which experimentally measured results, such as the well-known superconducting dome and the phase diagram from electronic Raman scattering (Sacuto et al., Rep. Prog. Phys. 76(2), 022502; 2013) can be accommodated. The EHM model hence offers a viable venue to search for or confirm any signature in k-point-sensitive experimental measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Spin-Orbital Density Wave and a Mott Insulator in a Two-Orbital Hubbard Model on a Honeycomb Lattice

Inspired by the recent discovery of correlated insulating states in twisted bilayer graphene, we study a two-orbital Hubbard model on the honeycomb lattice with two electrons per unit cell. Based on the real-space density matrix renormalization group simulation, we identify a metal-insulator transition around U c /t = 2.5–3. In the vicinity of U c , we find strong spin-orbital density wave fluctuations at commensurate wave vectors, accompanied by weaker incommensurate charge density wave fluctuations. Here, the spin-orbital density wave fluctuations are enhanced with increasing system sizes, suggesting the possible emergence of long-range order in the two-dimensional limit. At larger U, our calculations indicate a possible nonmagnetic Mott insulator phase without spin or orbital polarization. Our findings offer new insight into correlated electron phenomena in twisted bilayer graphene and other multiorbital honeycomb materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A physical model of the photo- and radiation-induced degradation of ytterbium-doped silica optical fibres

We propose a model to describe the photo- or/and the radiation-induced darkening of ytterbium-doped silica optical fibers. This model accounts for the well-established experimental features of photo-darkening. Degradation behaviors predicted for fibers pumped in harsh environments are also fully confirmed by experimental data reported in the work by Duchez et al. (this proceeding), which gives a detailed characterization of the interplay between the effects of the pump and those of a superimposed ionizing irradiation (actual operation conditions in space-based applications for instance). In particular, dependences of the darkening build-up on the pump power, the total ionizing dose and the dose rate are all correctly reproduced. The presented model is a ‘sufficient’ one, including the minimal physical ingredients required to reproduce experimental features. Refinements could be proposed to improve, e.g., quantitative kinetics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗