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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Imprints of the QCD phase transition on the spectrum of gravitational waves

We have investigated effects of the QCD phase transition on the relic GW spectrum applying several equations of state for the strongly interacting matter: Besides the bag model, which describes a first-order transition, we use recent data from lattice calculations featuring a crossover. Finally, we include a short period of inflation during the transition which allows for a first-order phase transition at finite baryon density. Our results show that the QCD transition imprints a step into the spectrum of GWs. Within the first two scenarios, entropy conservation leads to a step-size determined by the relativistic degrees of freedom before and after the transition. The inflation of the third scenario much stronger attenuates the high frequency modes: An inflationary model being consistent with observation entails suppression of the spectral energy density by a factor of < or approx. 10{sup -12}.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Topological Mott transition in a two band model of spinless fermions with on-site Coulomb repulsion

Highlights: • The effect of the on-site Coulomb repulsion and the spin–orbit Rashba coupling lead to the 2D topological semimetal. • The ground state phase diagram is calculated. • The topological semimetal phase is characterized by the zero energy Majorana states. In the framework of mean field approach, we study topological Mott transition in a two band model of spinless fermions on a square lattice at half filling. We consider the combined effect of the on-site Coulomb repulsion and the spin–orbit Rashba coupling. The ground state phase diagram is calculated as a function of the strength of the spin–orbit Rashba coupling and the Coulomb repulsion. The spin–orbit Rashba coupling leads to a distinct phase of matter, the topological semimetal. We study a new type of phase transition between the non-topological insulator and topological semimetal states. Topological phase state is characterized by the zero energy Majorana states, which there are in defined region of the wave vectors and are localized at the boundaries of the sample. The region of existence of the zero energy Majorana states tends to zero at the point of the Mott phase transition. The zero energy Majorana states are dispersionless (they can be considered as flat bands), the Chern number and Hall conductance are equal to zero (note in two dimensional model).

36 MATERIALS SCIENCE↗
NASA NTRS1973

Semiannual variation of geomagnetic activity.

It is proposed that the semiannual variation in geomagnetic activity is caused by a semiannual variation in the effective southward component of the interplanetary field. The southward field arises because the interplanetary field is ordered in the solar equatorial coordinate system, whereas the interaction with the magnetosphere is controlled by a magnetospheric system. Several simple models utilizing this effective modulation of the southward component of the interplanetary field are examined. One of these closely predicts the observed phase and amplitude of the semiannual variation. This model assumes that northward interplanetary fields are noninteracting and that the interaction with southward fields is ordered in solar magnetospheric coordinates. The prediction of the diurnal variation of the strength of the interaction at the magnetopause by this model, does not, however, match the diurnal variation of geomagnetic activity as derived from ground-based data.

Russell, C. T.↗
DOE OSTI2012

Lattice Modeling for SPEAR3

We use measured or simulated magnetic fields for dipoles and quadrupoles to build a lattice model for SPEAR3. In a non-symplectic approach the phase space coordinate mapping on the fields is based on numerical integration of the equation of motion. In a symplectic approach we approximate the fields with proper fringe field models. Complication of the use of rectangular gradient dipoles in SPEAR3 is considered. Results of the model is compared to measurements on the real machine.

43 PARTICLE ACCELERATORS↗
NASA NTRS1991

Preliminary calibration plan for the Advanced Particles and Field Observatory (APAFO) magnetometer experiment

Prelaunch and postlaunch calibration plans for the APAFO magnetometer experiment are presented. A study of tradeoffs between boom length and spacecraft field is described; the results are summarized. The prelaunch plan includes: calibration of the Vector Fluxgate Magnetometer (VFM), Star Sensors, and Scalar Helium Magnetometer (SHM); optical bench integration; and acquisition of basic spacecraft field data. Postlaunch calibration has two phases. In phase one, SHM data are used to calibrate the VFM, total vector magnetic field data are used to calibrate a physical model of the spacecraft field, and both calibrations are refined by iteration. In phase two, corrected vector data are transformed into geocentric coordinates, previously undetected spacecraft fields are isolated, and initial geomagnetic field models are computed. Provided the SHM is accurate to the required 1.0 nT and can be used to calibrate the VFM to the required 3.0- nT accuracy, the tradeoff study indicates that a 12 m boom and a spacecraft field model uncertainty of 5 percent together allow the 1.0 nT spacecraft field error requirement to be met.

Voorhies, C. V.↗
DOE OSTI2019

Field-induced quantum spin liquid in the Kitaev-Heisenberg model and its relation to α – RuCl 3

Recently considerable excitement has arisen due to the experimental observation of a field-induced spin liquid phase in the compound α– RuCl 3 . Yet, the nature of this putative spin liquid phase and the relevant microscopic model Hamiltonian remain still unclear. In this work, we address these questions by performing large-scale numerical simulations of a generalized Kitaev-Heisenberg model proposed to describe the physics of α– RuCl 3 . Although an intermediate phase does not appear for in-plane magnetic fields, our results strongly suggest that a stable intermediate spin liquid phase, sandwiched between a magnetically ordered phase at low fields and a high-field polarized phase, can be induced by out-of-plane magnetic fields. Moreover, we show that this field-induced spin liquid phase can be smoothly connected to a spin liquid possessing a spinon Fermi surface as proposed recently for the Kitaev model. The relevance of our findings to α– RuCl 3 is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Inflationary universe in deformed phase space scenario

We consider a noncommutative (NC) inflationary model with a homogeneous scalar field minimally coupled to gravity. The particular NC inflationary setting herein proposed, produces entirely new consequences as summarized in what follows. We first analyze the free field case and subsequently examine the situation where the scalar field is subjected to a polynomial and exponential potentials. We propose to use a canonical deformation between momenta, in a spatially flat Friedmann–Lemaî tre–Robertson–Walker (FLRW) universe, and while the Friedmann equation (Hamiltonian constraint) remains unaffected the Friedmann acceleration equation (and thus the Klein–Gordon equation) is modified by an extra term linear in the NC parameter. This concrete noncommutativity on the momenta allows interesting dynamics that other NC models seem not to allow. Let us be more precise. This extra term behaves as the sole explicit pressure that under the right circumstances implies a period of accelerated expansion of the universe. We find that in the absence of the scalar field potential, and in contrast with the commutative case, in which the scale factor always decelerates, we obtain an inflationary phase for small negative values of the NC parameter. Subsequently, the period of accelerated expansion is smoothly replaced by an appropriate deceleration phase providing an interesting model regarding the graceful exit problem in inflationary models. This last property is present either in the free field case or under the influence of the scalar field potentials considered here. Moreover, in the case of the free scalar field, we show that not only the horizon problem is solved but also there is some resemblance between the evolution equation of the scale factor associated to our model and that for the R{sup 2} (Starobinsky) inflationary model. Therefore, our herein NC model not only can be taken as an appropriate scenario to get a successful kinetic inflation, but also is a convenient setting to obtain inflationary universe possessing the graceful exit when scalar field potentials are present.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

CP Symmetry, Lee-Yang zeros and Phase Transitions

We analyze the analytic properties of {theta}-vacuum in QCD and its connection with spontaneous symmetry breaking of CP symmetry. A loss of analyticity in the {theta}-vacuum energy density can only be due to the accumulation of Lee-Yang zeros at some real values of {theta}. In the case of first order transitions these singularities are always associated to and cusp singularities and never to or cusps, which in the case {theta} = 0 are incompatible with the Vafa-Witten diamagnetic inequality This fact provides a key missing link in the Vafa-Witten proof of parity symmetry conservation in vector-like gauge theories like QCD. The argument is very similar to that used in the derivation of Bank-Casher formula for chiral symmetry breaking. However, the and behavior does not exclude the existence of a first phase transition at {theta} = {pi}, where a and cusp singularity is not forbidden by any inequality; in this case the topological charge condensate is proportional to the density of Lee-Yang zeros at {theta} = {pi}. Moreover, Lee-Yang zeros could give rise to a second order phase transition at {theta} = 0, which might be very relevant for the interpretation of the anomalous behavior of the topological susceptibility in the CP{sup 1} sigma model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Accurate determination of solvation free energies of neutral organic compounds from first principles

The main goal of molecular simulation is to accurately predict experimental observables of molecular systems. Another long-standing goal is to devise models for arbitrary neutral organic molecules with little or no reliance on experimental data. While separately these goals have been met to various degrees, for an arbitrary system of molecules they have not been achieved simultaneously. For biophysical ensembles that exist at room temperature and pressure, and where the entropic contributions are on par with interaction strengths, it is the free energies that are both most important and most difficult to predict. We compute the free energies of solvation for a diverse set of neutral organic compounds using a polarizable force field fitted entirely to ab initio calculations. The mean absolute errors (MAE) of hydration, cyclohexane solvation, and corresponding partition coefficients are 0.2 kcal/mol, 0.3 kcal/mol and 0.22 log units, i.e. within chemical accuracy. The model (ARROW FF) is multipolar, polarizable, and its accompanying simulation stack includes nuclear quantum effects (NQE). The simulation tools’ computational efficiency is on a par with current state-of-the-art packages. The construction of a wide-coverage molecular modelling toolset from first principles, together with its excellent predictive ability in the liquid phase is a major advance in biomolecular simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Certified dual-corrected radiation patterns of phased antenna arrays by offline–online order reduction of finite-element models

This paper presents a fast numerical method for computing certified far-field patterns of phased antenna arrays over broad frequency bands as well as wide ranges of steering and look angles. The proposed scheme combines finite-element analysis, dual-corrected model-order reduction, and empirical interpolation. To assure the reliability of the results, improved a posteriori error bounds for the radiated power and directive gain are derived. Both the reduced-order model and the error-bounds algorithm feature offline–online decomposition. A real-world example is provided to demonstrate the efficiency and accuracy of the suggested approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization

It has recently been demonstrated that nanoscale molecular films can spontaneously assemble to self-generate intrinsic electric fields that can exceed 10 8 V/m. These electric fields originate from polarization charges in the material that arise because the films self-assemble to orient molecular dipole moments. This has been called the spontelectric effect. Such growth of spontaneously polarized layers of molecular solids has implications for our understanding of how intermolecular interactions dictate the structure of molecular materials used in a range of applications, for example, molecular semiconductors, sensors, and catalysts. In this paper, we present the first in situ structural characterization of a representative spontelectric solid, nitrous oxide. Infrared spectroscopy, temperature-programmed desorption, and neutron reflectivity measurements demonstrate that polarized films of nitrous oxide undergo a structural phase transformation upon heating above 48 K. A mean-field model can be used to describe quantitatively the magnitude of the spontaneously generated field as a function of film-growth temperature, and this model also recreates the phase change. Finally, this reinforces the spontelectric model as a means of describing long-range dipole–dipole interactions and points to a new type of ordering in molecular thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Gross–Neveu–Wilson model and correlated symmetry-protected topological phases

We show that a Wilson-type discretization of the Gross–Neveu model, a fermionic N-flavor quantum field theory displaying asymptotic freedom and chiral symmetry breaking, can serve as a playground to explore correlated symmetry-protected phases of matter using techniques borrowed from high-energy physics. A large-N study, both in the Hamiltonian and Euclidean formalisms, yields a phase diagram with trivial, topological, and symmetry-broken phases separated by critical lines that meet at a tri-critical point. We benchmark these predictions using tools from condensed matter and quantum information science, which show that the large-N method captures the essence of the phase diagram even at N=1. Moreover, we describe a cold-atom scheme for the quantum simulation of this lattice model, which would allow to explore the single-flavor phase diagram.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Extended inflation from higher dimensional theories

The possibility is considered that higher dimensional theories may, upon reduction to four dimensions, allow extended inflation to occur. Two separate models are analayzed. One is a very simple toy model consisting of higher dimensional gravity coupled to a scalar field whose potential allows for a first-order phase transition. The other is a more sophisticated model incorporating the effects of non-trivial field configurations (monopole, Casimir, and fermion bilinear condensate effects) that yield a non-trivial potential for the radius of the internal space. It was found that extended inflation does not occur in these models. It was also found that the bubble nucleation rate in these theories is time dependent unlike the case in the original version of extended inflation.

Holman, Richard↗
DOE OSTI2018

Preheating after multifield inflation with nonminimal couplings. I. Covariant formalism and attractor behavior

This is the first of a three-part series of papers, in which we study the preheating phase for multifield models of inflation involving nonminimal couplings. We study the single-field attractor behavior that these models exhibit during inflation and quantify its strength and parameter dependence. We further demonstrate that the strong single-field attractor behavior persists after the end of inflation. Preheating in such models therefore generically avoids the “dephasing” that typically affects multifield models with minimally coupled fields, allowing efficient transfer of energy from the oscillating inflaton condensate(s) to coupled perturbations across large portions of parameter space. We develop a doubly covariant formalism for studying the preheating phase in such models and identify several features specific to multifield models with nonminimal couplings, including effects that arise from the nontrivial field-space manifold. In papers II and III, we apply this formalism to study how the amplification of adiabatic and isocurvature perturbations varies with parameters, highlighting several distinct regimes depending on the magnitude of the nonminimal couplings ${{\xi}}_{I}$.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

BROADBAND SPECTROSCOPY USING TWO SUZAKU OBSERVATIONS OF THE HMXB GX 301-2

We present the analysis of two Suzaku observations of GX 301-2 at two orbital phases after the periastron passage. Variations in the column density of the line-of-sight absorber are observed, consistent with accretion from a clumpy wind. In addition to a cyclotron resonance scattering feature (CRSF), multiple fluorescence emission lines were detected in both observations. The variations in the pulse profiles and the CRSF throughout the pulse phase have a signature of a magnetic dipole field. Using a simple dipole model we calculated the expected magnetic field values for different pulse phases and were able to extract a set of geometrical angles, loosely constraining the dipole geometry in the neutron star. From the variation of the CRSF width and energy, we found a geometrical solution for the dipole, making the inclination consistent with previously published values.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2012

Broadband Spectroscopy Using Two Suzaku Observations of the HMXB GX 301-2

We present the analysis of two Suzaku observations of GX 301-2 at two orbital phases after the periastron passage. Variations in the column density of the line-of-sight absorber are observed, consistent with accretion from a clumpy wind. In addition to a CRSF, multiple fluorescence emission lines were detected in both observations. The variations in the pulse profiles and the CRSF throughout the pulse phase have a signature of a magnetic dipole field. Using a simple dipole model we calculated the expected magnetic field values for different pulse phases and were able to extract a set of geometrical angles, loosely constraining the dipole geometry in the neutron star. From the variation of the CRSF width and energy, we found a geometrical solution for the dipole, making the inclination consistent with previously published values.

Suchy, Slawomir↗
DOE OSTI2018

On the Extended Holstein–Hubbard Model for Epitaxial Graphene on Metal

A model that combines the extended Hubbard model involving intra-atomic and interatomic Coulomb repulsion and the Holstein model describing the interaction of a band electron with an Einstein phonon is proposed. Three regions of the phase diagram are considered. The regions correspond to the states of spin- and charge-density waves and the state uniform in spin and charge. Numerical estimations for the Rh, Ir, and Pt substrates show that Coulomb interaction plays a leading part, making possible transitions from the uniform state to the states of spin- and charge-density waves.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Phase Diagrams in Graphene-like Ising Nanoparticles

The phase diagrams of four graphene-like nanoparticles described by the Ising model are investigated by the use of the effective-field theory with correlations. The particle is represented by a two-dimensional array of spin-1/2 atoms with two types of exchange interactions, J and J{sub S}. The effects of surface exchange interaction J{sub S} on the phase diagrams are examined. We have found some characteristic behaviours.

77 NANOSCIENCE AND NANOTECHNOLOGY↗