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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Effects of Helicity on Lagrangian and Eulerian Time Correlations in Turbulence

Taylor series expansions of turbulent time correlation functions are applied to show that helicity influences Eulerian time correlations more strongly than Lagrangian time correlations: to second order in time, the helicity effect on Lagrangian time correlations vanishes, but the helicity effect on Eulerian time correlations is nonzero. Fourier analysis shows that the helicity effect on Eulerian time correlations is confined to the largest inertial range scales. Some implications for sound radiation by swirling flows are discussed.

Rubinstein, Robert↗
DOE OSTI2021

Scattering amplitudes for all masses and spins

We introduce a formalism for describing four-dimensional scattering amplitudes for particles of any mass and spin. This naturally extends the familiar spinor-helicity formalism for massless particles to one where these variables carry an extra SU(2) little group index for massive particles, with the amplitudes for spin Sparticles transforming as symmetric rank 2S tensors. We systematically characterise all possible three particle amplitudes compatible with Poincare symmetry. Unitarity, in the form of consistent factorization, imposes algebraic conditions that can be used to construct all possible four-particle tree amplitudes. This also gives us a convenient basis in which to expand all possible four-particle amplitudes in terms of what can be called “spinning polynomials”. Many general results of quantum field theory follow the analysis of four-particle scattering, ranging from the set of all possible consistent theories for massless particles, to spin-statistics, and the Weinberg-Witten theorem. We also find a transparent understanding for why massive particles of sufficiently high spin cannot be “elementary”. The Higgs and Super-Higgs mechanisms are naturally discovered as an infrared unification of many disparate helicity amplitudes into a smaller number of massive amplitudes, with a simple understanding for why this can’t be extended to Higgsing for gravitons. We illustrate a number of applications of the formalism at one-loop, giving few-line computations of the electron (g - 2) as well as the beta function and rational terms in QCD. “Off-shell” observables like correlation functions and form-factors can be thought of as scattering amplitudes with external “probe” particles of general mass and spin, so all these objects — amplitudes, form factors and correlators, can be studied from a common on-shell perspective.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

Structure of correlation tensors in homogeneous anisotropic turbulence

The theory of isotropic tensors, developed by Robertson (1940), Batchelor (1946), and Chandrasekhar (1951), is extended to cover the general case of turbulence with a pseudo-vector-preferred direction, without assuming mirror-reflection invariance. Attention is focused on two-point-correlation functions, and it is shown that the form of the decomposition into proper and pseudo-tensor contributions is restricted by the homogeneity requirement. The somewhat unexpected result that the vector- and pseudo-vector-preferred-direction cases yield different results is presented: A pseudo-vector-preferred direction allows the correlation matrix one more functional degree of freedom than does the proper vector case. An explicit form of the two-point-correlation tensor in the presence of a uniform mean magnetic field is presented which may be appropriate for use in analysis of magnetic fluctuations in plasma containment devices or the interplanetary medium. A procedure for determining the magnetic helicity from experimental data is presented.

Matthaeus, W. H.↗
DOE OSTI2021

Molecular beam epitaxy of PdO on MgO (001)

PdO, widely used in catalysis in powder form for decades, has been predicted recently to be a Dirac semimetal. Synthesis of high-quality single crystals of this material is thus of great interest. Here, by using ozone-assisted molecular beam epitaxy, PdO thin films were grown on a MgO (001) substrate. X-ray diffraction and transmission electron microscopy indicate the film is a / b axis oriented, with the c axis lying in plane. Fully oxygenated PdO films have a low density of holelike carriers, and are insulating at the lowest temperatures. Our density functional theory calculations using the Heyd-Scuseria-Ernzerhof exchange-correlation functional suggest a ~1.0 eV band gap at the M point, where the gap can be reduced by tensile strain along the c axis and the bands begin to invert when the tensile strain is as high as 18%. Although tensile strain of this magnitude is experimentally not viable using epitaxy, electrons can be doped by oxygen reduction. Finally, our results emphasize the need for careful consideration of electron correlation effects and stoichiometry in ab initio modeling of topological semimetals involving transition metal oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Accuracy of Partial Core Corrections Using Fourier Transforms in Pseudopotential–Density Functional Theory

Partial core corrections can be important in obtaining an accurate description of nonlinear exchange-correlation functionals and improving the transferability of pseudopotentials. We show that a widely used procedure, which calculates partial core charge density, $ρ^{partial}_{core}$, in Fourier space and then converts it to real space with fast Fourier transforms, can lead to sizable numerical errors of exchange-correlation potentials in the vacuum region. Such errors occur in modeling low-dimensional materials or surfaces with supercells. The loss of accuracy originates from the slow-decaying feature of core charge density in reciprocal space. Numerical errors on the order of 1 eV in the Kohn–Sham energies of unoccupied states can occur in pseudopotential–density functional calculations. The direct calculation of the partial core charge in real space can avoid the numerical errors caused by Fourier transforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Conformal invariance, dark energy, and CMB non-gaussianity

In addition to simple scale invariance, a universe dominated by dark energy naturally gives rise to correlation functions possessing full conformal invariance. This is due to the mathematical isomorphism between the conformal group of certain three dimensional slices of de Sitter space and the de Sitter isometry group SO(4,1). In the standard homogeneous, isotropic cosmological model in which primordial density perturbations are generated during a long vacuum energy dominated de Sitter phase, the embedding of flat spatial R{sup 3} sections in de Sitter space induces a conformal invariant perturbation spectrum and definite prediction for the shape of the non-Gaussian CMB bispectrum. In the case in which the density fluctuations are generated instead on the de Sitter horizon, conformal invariance of the S{sup 2} horizon embedding implies a different but also quite definite prediction for the angular correlations of CMB non-Gaussianity on the sky. Each of these forms for the bispectrum is intrinsic to the symmetries of de Sitter space, and in that sense, independent of specific model assumptions. Each is different from the predictions of single field slow roll inflation models, which rely on the breaking of de Sitter invariance. We propose a quantum origin for the CMB fluctuations in the scalar gravitational sector from the conformal anomaly that could give rise to these non-Gaussianities without a slow roll inflaton field, and argue that conformal invariance also leads to the expectation for the relation n{sub S}−1 = n{sub T} between the spectral indices of the scalar and tensor power spectrum. Confirmation of this prediction or detection of non-Gaussian correlations in the CMB of one of the bispectral shape functions predicted by conformal invariance can be used both to establish the physical origins of primordial density fluctuations, and distinguish between different dynamical models of cosmological vacuum dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Nanoscale Mass Spectrometry Multimodal Imaging via Tip-Enhanced Photothermal Desorption

Materials ranging from adhesives, pharmaceuticals, lubricants, and personal care products are traditionally studied using macroscopic characterization techniques. However, their functionality is in reality defined by details of chemical organization on often noncrystalline matter with characteristic length scales on the order of microns to nanometers. Additionally, these materials are traditionally difficult to analyze using standard vacuum-based approaches that provide nanoscale chemical characterization due to their volatile and beam-sensitive nature. Therefore, approaches that operate under ambient conditions need to be developed that allow probing of nanoscale chemical phenomena and correlated functionality. Here, we demonstrate a tool for probing and visualizing local chemical environments and correlating them to material structure and functionality using advanced multimodal chemical imaging on a combined atomic force microscopy (AFM) and mass spectrometry (MS) system using tip-enhanced photothermal desorption with atmospheric pressure chemical ionization (APCI). We demonstrate enhanced performance metrics of the technique for correlated imaging and point sampling and illustrate the applicability for the analysis of trace chemicals on a human hair, additives in adhesives on paper, and pharmaceuticals samples notoriously difficult to analyze in a vacuum environment. Overall, this approach of correlating local chemical environments to structure and functionality is key to advancing research in many fields ranging from biology, to medicine, to material science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dark Energy Survey Year 3 results: Constraints on extensions to Λ CDM with weak lensing and galaxy clustering

We constrain six possible extensions to the Λ cold dark matter (CDM) model using measurements from the Dark Energy Survey’s first three years of observations, alone and in combination with external cosmological probes. The DES data are the two-point correlation functions of weak gravitational lensing, galaxy clustering, and their cross-correlation. We use simulated data vectors and blind analyses of real data to validate the robustness of our results to astrophysical and modeling systematic errors. In many cases, constraining power is limited by the absence of theoretical predictions beyond the linear regime that are reliable at our required precision. The Λ CDM extensions are dark energy with a time-dependent equation of state, nonzero spatial curvature, additional relativistic degrees of freedom, sterile neutrinos with eV-scale mass, modifications of gravitational physics, and a binned σ 8 ( z ) model which serves as a phenomenological probe of structure growth. For the time-varying dark energy equation of state evaluated at the pivot redshift we find ( w p , w a ) = ( - 0.9 9 - 0.17 + 0.28 , - 0.9 ± 1.2 ) at 68% confidence with z p = 0.24 from the DES measurements alone, and ( w p , w a ) = ( - 1.0 3 - 0.03 + 0.04 , - 0. 4 - 0.3 + 0.4 ) with z p = 0.21 for the combination of all data considered. Curvature constraints of Ω k = 0.0009 ± 0.0017 and effective relativistic species N eff = 3.1 0 - 0.16 + 0.15 are dominated by external data, though adding DES information to external low-redshift probes tightens the Ω k constraints that can be made without cosmic microwave background observables by 20%. For massive sterile neutrinos, DES combined with external data improves the upper bound on the mass m eff by a factor of 3 compared to previous analyses, giving 95% limits of ( Δ N eff , m eff ) ≤ ( 0.28 , 0.20 eV ) when using priors matching a comparable Planck analysis. For modified gravity, we constrain changes to the lensing and Poisson equations controlled by functions Σ ( k , z ) = Σ 0 Ω Λ ( z ) / Ω Λ , 0 and μ ( k , z ) = μ 0 Ω Λ ( z ) / Ω Λ , 0 , respectively, to Σ 0 = 0. 6 - 0.5 + 0.4 from DES alone and ( Σ 0 , μ 0 ) = ( 0.04 ± 0.05 , 0.0 8 - 0.19 + 0.21 ) for the combination of all data, both at 68% confidence. Overall, we find no significant evidence for physics beyond Λ CDM .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The complex life of hydrodynamic modes

We study analytic properties of the dispersion relations in classical hydrodynamics by treating them as Puiseux series in complex momentum. The radii of convergence of the series are determined by the critical points of the associated complex spectral curves. For theories that admit a dual gravitational description through holography, the critical points correspond to level-crossings in the quasinormal spectrum of the dual black hole. We illustrate these methods in N = 4 supersymmetric Yang-Mills theory in 3+1 dimensions, in a holographic model with broken translation symmetry in 2+1 dimensions, and in conformal field theory in 1+1 dimensions. We comment on the pole-skipping phenomenon in thermal correlation functions, and show that it is not specific to energy density correlations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

In this paper, we obtain the energy band positions of amorphous carbon (a–C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp{sup 2} sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A near magnetic-to-kinetic energy equipartition flare from the relativistic jet in AO 0235 + 164 during 2013–2019

ABSTRACT We present the multiwavelength flaring activity of the blazar AO 0235 + 164 during its recent active period from 2013 to 2019. From a discrete correlation function analysis, we find a significant ($\gt 95~{{\ \rm per\ cent}}$) correlation between radio and gamma-ray light curves with flares at longer wavelengths following flares at shorter wavelengths. We identify a new jet component in 43 GHz Very Long Baseline Array data that was ejected from the radio core on MJD $57246^{+26}_{-30}$ (2015 August 12), during the peak of the 2015 radio flare. From the analysis of the jet component, we derived a Doppler factor of δvar = 28.5 ± 8.4, a bulk Lorentz factor of $\Gamma =16.8^{+3.6}_{-3.1}$, and an intrinsic viewing angle of $\theta _{\rm v}=1.42^{+1.07}_{-0.52}\textrm {~degrees}$. Investigation of the quasi-simultaneous radio data revealed a partially absorbed spectrum with the turnover frequency varying in the range of 10−70 GHz and the peak flux density varying in the range of 0.7−4 Jy. We find the synchrotron self-absorption magnetic field strength to be $B_{\rm SSA}=15.3^{+12.6}_{-14.0}\textrm {~mG}$ at the peak of the 2015 radio flare, which is comparable to the equipartition magnetic field strength of $B_{\rm EQ}=43.6^{+10.6}_{-10.4}\textrm {~mG}$ calculated for the same epoch. Additional analysis of the radio emission region in the relativistic jet of AO 0235 + 164 suggests that it did not significantly deviate from equipartition during its recent flaring activity.

Astronomy & Astrophysics↗
DOE OSTI2024

Angular correlations of cosmic microwave background spectrum distortions from photon diffusion

ABSTRACT During cosmic recombination, charged particles bind into neutral atoms and the mean free path of photons rapidly increases, resulting in the familiar diffusion damping of primordial radiation temperature variations. An additional effect is a small photon spectrum distortion, because photons arriving from a particular sky direction were originally in thermal equilibrium at various spatial locations with different temperatures; the combination of these different blackbody temperature distributions results in a spectrum with a Compton y-distortion. Using the approximation that photons had zero mean free path prior to their second-to-last scattering, we derive an expression for the resulting y-distortion, and compute the angular correlation function of the diffusion y-distortion and its cross-correlation with the square of the photon temperature fluctuation. Detection of the cross-correlation is within reach of existing arcminute-resolution microwave background experiments such as the Atacama Cosmology Telescope and the South Pole Telescope.

Astronomy & Astrophysics↗
DOE OSTI2018

Viscosity and real-space molecular motion of water: Observation with inelastic x-ray scattering

Even though viscosity is one of the fundamental properties of liquids, its microscopic origin is not fully understood. We determined the spatial and temporal correlation of molecular motions of water near room temperature and its temperature variation on a picosecond timescale and a subnanometer spatial scale, through high-resolution inelastic x-ray scattering measurement. The results, expressed in terms of the time-dependent pair correlation function called the Van Hove function, show that the timescale of the decay of the molecular correlation is directly related to the Maxwell relaxation time near room temperature, which is proportional to viscosity. This conclusion validates our earlier finding that the topological changes in atomic or molecular connectivity are the origin of viscosity in liquids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Nature of the insulating ground state of the 5d postperovskite CaIrO 3

In this study, the insulating ground state of the 5d transition metal oxide CaIrO 3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t 2 g states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir 4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t 2 g states to open an insulating gap. These results indicate that CaIrO 3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1967

Study of random process theory aids digital data processing

Study of techniques for all random process technology, including stationary, nonstationary, and Gaussian bivariate, aids digital data processing. It presents material on digital filtering, correlation function, optimal spectral smoothing, deterministic data processing, and nonstationary spectrum and correlation analyses.

Bordner, G. W.↗
NASA NTRS1979

Investigation of surface fluctuating pressures on a 1/4 scale YC-14 upper surface blown flap model

Fluctuating pressures were measured at 30 positions on the surface of a 1/4-scale YC-14 wing and fuselage model during an outdoor static testing program. These data were obtained as part of a NASA program to study the fluctuating loads imposed on STOL aircraft configurations and to further the understanding of the scaling laws of unsteady surface pressure fields. Fluctuating pressure data were recorded at several discrete engine thrust settings for each of 16 configurations of the model. These data were reduced using the technique of random data analysis to obtain auto-and cross-spectral density functions and coherence functions for frequencies from 0 to 10 kHz, and cross-correlation functions for time delays from 0 to 10.24 ms. Results of this program provide the following items of particular interest: (1) Good collapse of normalized PSD functions on the USB flap was found using a technique applied by Lilley and Hodgson to data from a laboratory wall-jet apparatus. (2) Results indicate that the fluctuating pressure loading on surfaces washed by the jet exhaust flow was dominated by hydrodynamic pressure variations, loading on surface well outside the flow region dominated by acoustic pressure variations, and loading near the flow boundaries from a mixture of the two.

Pappa, R. S.↗