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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effects of interaction strength, doping, and frustration on the antiferromagnetic phase of the two-dimensional Hubbard model

Recent quantum-gas microscopy of ultracold atoms and scanning tunneling microscopy of the cuprates reveal new detailed information about doped Mott antiferromagnets, which can be compared with calculations. Using cellular dynamical mean-field theory, we map out the antiferromagnetic (AF) phase of the two-dimensional Hubbard model as a function of interaction strength U, hole doping δ, and temperature T . The Néel phase boundary is nonmonotonic as a function of U and δ. Frustration induced by second-neighbor hopping reduces Néel order more effectively at small U. The doped AF is stabilized at large U by kinetic energy and at small U by potential energy. The transition between the AF insulator and the doped metallic AF is continuous. At large U, we find in-gap states similar to those observed in scanning tunneling microscopy. Finally, we predict that, contrary to the Hubbard bands, these states are only slightly spin polarized.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Matter inflation with A{sub 4} flavour symmetry breaking

We discuss model building in tribrid inflation, which is a framework for realising inflation in the matter sector of supersymmetric particle physics models. The inflaton is a D-flat combination of matter fields, and inflation ends by a phase transition in which some Higgs field obtains a vacuum expectation value. We first describe the general procedure for implementing tribrid inflation in realistic models of particle physics that can be applied to a wide variety of BSM particle physics models around the GUT scale. We then demonstrate how the procedure works for an explicit lepton flavour model based on an A{sub 4} family symmetry. The model is both predictive and phenomenologically viable, and illustrates how tribrid inflation connects cosmological and particle physics parameters. In particular, it predicts a relation between the neutrino Yukawa coupling and the running of the spectral index α{sub s}. We also show how topological defects from the flavour symmetry breaking can be avoided automatically.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

On the QCD phase diagram at finite chemical potential

We present results for the phase diagram of QCD with two massless quark flavours as obtained from a first-principles functional renormalisation group approach. In particular we compute order parameters for chiral symmetry breaking and quark confinement at vanishing and non-zero imaginary chemical potential. Our analytical and numerical results suggest a close relation between the chiral and the deconfinement phase transition. We discuss the properties of dual order parameters at imaginary and real chemical potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Phase Structure of Two-Flavor QCD at Finite Chemical Potential

We study the phase diagram of two-flavor QCD at imaginary chemical potentials in the chiral limit. To this end we compute order parameters for chiral symmetry breaking and quark confinement. The interrelation of quark confinement and chiral symmetry breaking is analyzed with a new order parameter for the confinement phase transition. We show that it is directly related to both the quark density as well as the Polyakov loop expectation value. Our analytical and numerical results suggest a close relation between the chiral and the confinement phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

Current Status on the use of Parallel Computing in Turbulent Reacting Flow Computations Involving Sprays, Monte Carlo PDF and Unstructured Grids

The state of the art in multidimensional combustor modeling as evidenced by the level of sophistication employed in terms of modeling and numerical accuracy considerations, is also dictated by the available computer memory and turnaround times afforded by present-day computers. With the aim of advancing the current multi-dimensional computational tools used in the design of advanced technology combustors, a solution procedure is developed that combines the novelty of the coupled CFD/spray/scalar Monte Carlo PDF (Probability Density Function) computations on unstructured grids with the ability to run on parallel architectures. In this approach, the mean gas-phase velocity and turbulence fields are determined from a standard turbulence model, the joint composition of species and enthalpy from the solution of a modeled PDF transport equation, and a Lagrangian-based dilute spray model is used for the liquid-phase representation. The gas-turbine combustor flows are often characterized by a complex interaction between various physical processes associated with the interaction between the liquid and gas phases, droplet vaporization, turbulent mixing, heat release associated with chemical kinetics, radiative heat transfer associated with highly absorbing and radiating species, among others. The rate controlling processes often interact with each other at various disparate time 1 and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and liquid phase evaporation in many practical combustion devices.

Raju, M. S.↗
NASA NTRS1982

Superalloy composition modeling

Development of a predictive method for determination of the gamma/gamma prime phase fields, i.e., gamma prime volume fraction as a function of the multicomponent composition, is described. The cluster variation method used for binary alloys in which the precipitated phase is coherent with the matrix phase is extended for application to the multicomponent coherent gamma/gamma prime nickel-based superalloys. It is shown that the cluster variation method can accurately describe the equilibrium (incoherent) gamma/gamma prime phase fields in the binary Ni-Al phase diagram. The gamma/gamma prime phase field for the Ni-Cr-Al ternary phase diagram is computed as a function of temperature. A reasonable fit results between the calculated and the experimental diagrams. The modeling of the six-component Ni-Cr-Al-Co-Mo-Ti base superalloy and the effect of Ni substitution of Co are discussed.

Barefoot, J.↗
DOE OSTI2018

The use of atmospheric prediction models to invert infrasound for linear-equivalent time domain moment tensors: Source Physics Experiment, Phase 1

We invert far field infrasound data for the equivalent seismo-acoustic time domain moment tensor to assess the effects of variable atmospheric models as well as to quantify the relative contributions of two presumed source phenomena. The infrasound data was produced by a series of underground chemical explosions that were conducted during the Source Physics Experiment, (SPE) which was originally designed to study explosion-generated seismo-acoustic signal phenomena. The goal of the work presented herein is two-fold: the first goal is to investigate the sensitivity of the estimated time domain moment tensors to variability of the estimated atmospheric model. The second goal is to determine the relative contribution of two possible source mechanisms to the observed infrasonic wave field. Rather than using actual atmospheric observations to estimate the necessary atmospheric Green's functions, we build a series of atmospheric models that rely on publicly available, regional atmospheric observations and the assumption that the acoustic energy results from a linear combination of an underground isotropic explosion and surface spall. The atmospheric observations are summarized and interpolated onto a 3D grid to produce a model of sound speed at the time of the experiment. For each of four SPE acoustic datasets that we invert, we produced a suite of three atmospheric models, based on ten years of regional meteorological observations: an average model, which averages the atmospheric conditions for ten years prior to each SPE event, as well as two extrema models. We find that the inversion yields relatively repeatable results for the estimated spall source. Conversely, the estimated isotropic explosion source is highly variable. This suggests that the majority of the observed acoustic energy is produced by the spall source and/or our modeling of the elastic energy propagation, and it's subsequent conversion to acoustic energy via linear elastic-to-acoustic coupling at the free surface, is too simplistic.

58 GEOSCIENCES↗
NASA NTRS1994

Hybird state of the tail mangetic configuration during steady convection events

Previous observations have shown that during periods of steady magnetospheric convection (SMC) a large amount of magnetic flux crosses the plasma sheet (corresponding to approximately 10 deg wide auroral oval at the nightside) and that the magnetic configuration in the midtail is relaxed (the curent sheet is thick and contains enhanced B(sub Z). These signatures are typical for the substorm recovery phase. Using near-geostationary magnetic field data, magnetic field modeling and a noval diagostic technique (isotropic boundary algorithm), we show that in the near-Earth tail the magnetic confirguration is very stretched during the SMC events. This stretching is caused by an intense, thin westward current. Because of the srongly depressed B(sub Z), there is a large radial gradient in the near-tail magetic field. These signatures have been peviously associated only with the substorm growth phase. Our results indicate that during the SMC periods the magnetic configuration is very peculiar, with co-existing thin near-Earth current sheet and thick midtail plasma sheet. The deep local minimum of the equatorial B(sub Z) that devleops at R approximately 12 R(sub E) is consistent with steady, adiabatic, Earthward convection in the midtail. These results impose contraints on the existing substorm theories, and call for an explanation of how such a stressed configuration can persist for such a long time without tail current disruptions that occur at the end of a substorm growth phase.

Sergeev, V. A.↗
DOE OSTI2016

Electromagnon excitation in the field-induced nonlinear ferrimagnetic phase of Ba 2 Mg 2 Fe 12 O 22 studied by polarized inelastic neutron and terahertz time-domain optical spectroscopy

We have studied magnetic excitations in a field-induced noncollinear commensurate ferrimagnetic phase of Ba 2 Mg 2 Fe 12 O 22 by means of polarized inelastic neutron scattering (PINS) and terahertz (THz) time-domain optical spectroscopy under magnetic field. A previous THz spectroscopy study reported that the field-induced phase exhibits electric-dipole-active excitations with energies of around 5 meV [Kida et al., Phys. Rev. B 83, 064422 (2011)]. In the present PINS measurements, we observed inelastic scattering signals around 5 meV at the zone center in the spin-flip channel. This directly shows that the electric-dipole-active excitations are indeed of magnetic origin, that is, electromagnons . In addition, the present THz spectroscopy confirms that the excitations have oscillating electric polarization parallel to the c axis. In terms of the spin-current model (Katsura-Nagaosa-Balatsky model), the noncollinear magnetic order in the field-induced phase can induce static electric polarization perpendicular to the c axis, but not dynamic electric polarization along the c axis. Furthermore, we suggest that the electromagnon excitations can be explained by applying the magnetostriction model to the out-of-phase oscillations of the magnetic moments, which is deduced from the present experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Phase Behavior of Grafted Polymer Nanocomposites from Field-Based Simulations

There are limited theoretically predicted phase diagrams for polymer nanocomposites (PNCs) because conventional modeling techniques are largely unable to predict the macroscale phase behavior of PNCs. Here, we show that recent field-based methods, including PNC field theory (PNC-FT) and theoretically informed Langevin dynamics, can be used to calculate phase diagrams for polymer-grafted nanoparticles (gNPs) incorporated into a polymer matrix. We calculate binodals for the transition from the miscible, dispersed phase to the macrophase separated state as functions of important experimental parameters, including the ratio of the matrix chain degree of polymerization ( P ) to the grafted chain degree of polymerization ( N ), the enthalpic repulsion between the matrix and grafted chains, the grafting density (σ), the size of the NPs, and the NP volume fraction. We demonstrate that thermal and polymer conformational fluctuations enhance the degree of phase separation in gNP-PNCs, a result of depletion interaction effects. We support this conclusion by experimentally investigating the phase separation of poly(methyl methacrylate)-grafted silica NPs in a polystyrene matrix as a function of P/N . The simulations only agree with experiments when fluctuations are included because fluctuations are needed to properly capture the depletion interactions between the gNPs. Here, we clarify the role of conformational entropy in driving depletion interactions in PNCs and suggest that inconsistencies in the literature may be due to polymer chain length effects since conformational entropy increases with increasing chain length.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Generation of Large-Volume High-Pressure Plasma by Spatio-Temporal Control of Space Charge

Due to the fundamental limitations of scaling, very little progress has been made towards achieving a large-volume dense non-equilibrium plasma near atmospheric pressures. Commercially available state-of-the art glow-like atmospheric plasma devices for industrial applications are either narrow tubes or wide slits with narrow openings. Often multiple sources are put together in various configurations to process larger surfaces. The traditional methods of exciting electrodes create spatially fixed electric fields. As a result, the space charge at atmospheric pressure tends to be spatially confined resulting in non-uniformity which eventually leads to instability as the discharge is scaled. Theoretical work done under this project showed that it is possible to generate a spatially rotating electric field by exciting a set of electrodes with phase staggered sinusoidal waveforms. The modeling and simulations were done using plasma fluid models. It was shown that such a field can produce a uniform plasma. At the conclusion of the project, experimental proof of concept with an eight-electrode system in various gases (Air, Helium and Argon) was demonstrated. Power measurements and spectral investigation show that the concept can be used to generate a uniform stable plasma. This plasma source has the potential of opening new applications of nonthermal plasma including combustion of carbon-free fuel. The current limitation of the proposed method in scaling to higher volume and pressure is the need for multiple high voltage amplifiers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2005

Propagation of Interplanetary Disturbances in the Outer Heliosphere

Contents include the following: 1. We have developed a one-dimensional, spherically symmetric, multi-fluid MHD model that includes solar wind protons and electrons, pickup ions, and interstellar neutral hydrogen. This model advances the existing solar wind models for the outer heliosphere in two important ways: one is that it distinguishes solar wind protons from pickup ions, and the other is that it allows for energy transfer from pickup ions to the solar wind protons. Model results compare favorably with the Voyager 2 observations. 2. 2. Solar wind slowdown and interstellar neutral density. The solar wind in the outer heliosphere is fundamentally different from that in the inner heliosphere since the effects of interstellar neutrals become significant. 3. ICME propagation from the inner to outer heliosphere. Large coronal mass ejections (CMEs) have major effects on the structure of the solar wind and the heliosphere. The plasma and magnetic field can be compressed ahead of interplanetary CMEs. 4. During the current solar cycle (Cycle 23), several major CMEs associated with solar flares produced large transient shocks which were observed by widely-separated spacecraft such as Wind at Earth and Voyager 2 beyond 60 AU. Using data from these spacecraft, we use the multi-fluid model to investigate shock propagation and interaction in the heliosphere. Specifically, we studied the Bastille Day 2000, April 2001 and Halloween 2003 events. 5. Statistical properties of the solar wind in the outer heliosphere. In a collaboration with L.F. Burlaga of GSFC, it is shown that the basic statistical properties of the solar wind in the outer heliosphere can be well produced by our model. We studied the large-scale heliospheric magnetic field strength fluctuations as a function of distance from the Sun during the declining phase of a solar cycle, using our numerical model with observations made at 1 AU during 1995 as input. 6. Radial heliospheric magnetic field events. The heliospheric magnetic field (HMF) direction, on average, conforms well to the Parker spiral.

Wang, Chi↗
DOE OSTI2016

SU-F-J-80: Deformable Image Registration for Residual Organ Motion Estimation in Respiratory Gated Treatments with Scanned Carbon Ion Beams

Purpose: At the Centro Nazionale di Adroterapia Oncologica (CNAO, Pavia, Italy) C-ions respiratory gated treatments of patients with abdominal tumours started in 2014. In these cases, the therapeutic dose is delivered around end-exhale. We propose the use of a respiratory motion model to evaluate residual tumour motion. Such a model requires motion fields obtained from deformable image registration (DIR) between 4DCT phases, estimating anatomical motion through interpolation. The aim of this work is to identify the optimal DIR technique to be integrated in the modeling pipeline. Methods: We used 4DCT datasets from 4 patients to test 4 DIR algorithms: Bspline, demons, log-domain and symmetric log domain diffeomorphic demons. We evaluate DIR performance in terms of registration accuracy (RMSE between registered images) and anatomical consistency of the motion field (Jacobian) when registering end-inhale to end-exhale. We subsequently employed the model to estimate the tumour trajectory within the ideal gating window. Results: Within the liver contour, the RMSE is in the range 31–46 HU for the best performing algorithm (Bspline) and 43–145 HU for the worst one (demons). The Jacobians featured zero negative voxels (which indicate singularities in the motion field) for the Bspline fields in 3 of 4 patients, whereas diffeomorphic demons fields showed a non-null number of negative voxels in every case. GTV motion in the gating window measured less than 7 mm for every patient, displaying a predominant superior-inferior (SI) component. Conclusion: The Bspline algorithm allows for acceptable DIR results in the abdominal region, exhibiting the property of anatomical consistency of the computed field. Computed trajectories are in agreement with clinical expectations (small and prevalent SI displacements), since patients lie wearing semi-rigid immobilizing masks. In future, the model could be used for retrospective estimation of organ motion during treatment, as guided by the breathing surrogate signal.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

From chiral anomaly to two-fluid hydrodynamics for electronic vortices

Highlights: • Chiral transformations with account for chiral anomaly were applied to the CDW model. • Two-fluid hydrodynamics was constructed of the order parameter and the normal liquid. • Topologically nontrivial dynamics appears under applied fields or charge injection. • Spontaneous spacetime vorticity under the driving current was modeled numerically. • Periodic sequence of amplitude nodes with 2π phase increments was demonstrated. - Abstract: Many recent experiments addressed manifestations of electronic crystals, particularly the charge density waves, in nano-junctions, under electric field effect, at high magnetic fields, together with real space visualizations by STM and micro X-ray diffraction. This activity returns the interest to stationary or transient states with static and dynamic topologically nontrivial configurations: electronic vortices as dislocations, instantons as phase slip centers, and ensembles of microscopic solitons. Describing and modeling these states and processes calls for an efficient phenomenological theory which should take into account the degenerate order parameter, various kinds of normal carriers and the electric field. Here we notice that the commonly employed time-depend Ginzburg–Landau approach suffers with violation of the charge conservation law resulting in unphysical generation of particles which is particularly strong for nucleating or moving electronic vortices. We present a consistent theory which exploits the chiral transformations taking into account the principle contribution of the fermionic chiral anomaly to the effective action. The resulting equations clarify partitions of charges, currents and rigidity among subsystems of the condensate and normal carriers. On this basis we perform the numerical modeling of a spontaneously generated coherent sequence of phase slips – the spacetime vortices – serving for the conversion among the injected normal current and the collective one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Gallery of soft modes: Theory and experiment at a ferromagnetic quantum phase transition

We examine the low-energy excitations in the vicinity of the quantum critical point in LiHoF4, a physical realization of the Transverse Field Ising Model, focusing on the long-range fluctuations which soften to zero energy at the ferromagnetic quantum phase transition. Microwave spectroscopy in tunable loop-gap resonator structures identifies and characterizes the electronuclear soft mode and higher-energy electronuclear states as a function of frequency and magnetic fields applied transverse and parallel to the Ising axis. These are understood in the context of a theoretical model of a soft electronuclear mode that interacts with soft photons as well as soft phonons. We identify competing infrared divergences at the quantum critical point, coming from the photons and the electronuclear soft mode. It is an incomplete cancellation of these divergences that leads to the muted but distinct signatures observed in the experiments. The application of a longitudinal magnetic field gaps the soft mode. As a result, measurements well away from the quantum critical point reveal a set of "Walker'' modes associated with ferromagnetic domain dynamics.

Dipolar interaction↗
DOE OSTI2016

Disordered spin dependent interactions in a spinor (S=1) Bose gas: A percolation analysis

We study the effect of disorder in the spin dependent interaction of a spinor Bose Hubbard model. We apply mean field theory and observe the presence of Bose glass phase by computing the superfluid order parameter and compressibility. The extent of different types of phase is computed via a percolation analysis for phase diagram corresponding to antiferromagnetic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

A study of backscattering and emission from closely packed inhomogeneous media

The effects of close spacing between small scattering spheres were examined by keeping the distance-dependent terms in the expressions for the transverse scattered fields. The phase matrix was then derived from these fields and was used in the radiative transfer formulation to model scattering and emission from a densely populated, inhomogeneous layer. Computed results were compared with those obtained when the phase matrix was specialized to the far-field condition. It was found that the use of the far-zone condition tended to underestimate both the level of the copolarized backscattering and the cross-polarized backscattering. In emission computations, the use of the far-zone condition overestimated the level of the brightness temperature. These effects decreased with a decrease in the volume fraction or an increase in the exploring frequency, as expected. An improvement on the snow parameter (density and crystal size) estimation was shown to be possible when this new phase matrix was used.

Fung, A. K.↗
DOE OSTI2015

Phase-field simulations of GaN growth by selective area epitaxy from complex mask geometries

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗