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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Scattering of emitted radiation from inhomogeneous and nonisothermal layers

A parametric study is performed for the exiting monochromatic intensities scattered from finite plane-parallel inhomogeneous layers that are driven solely by a distribution of thermal sources. Intensities are obtained by invariantly imbedding the standard and thermal scattering functions. The single-scattering albedo and the Henyey-Greenstein phase-function parameter are varied independently, and both linear and exponential profiles are considered. Linear temperature profiles are used, including temperature inversions. The resulting intensities, as a function of the direction cosine of propagation, are discussed from a remote-sensing point of view. For an isothermal and homogeneous medium, the gross characteristics of the exiting intensity, represented by its overall slope, mean value (magnitude), and an interior maximum value, can be related to the total optical depth, single-scattering albedo, and phase function, respectively. For a homogeneous medium, linearly decreasing (in the line of sight) temperature profiles tend to obscure the phase-function information and decrease the apparent optical depth. On the other hand, linearly increasing temperature profiles tend to retain phase-function information and increase the apparent optical depth. Temperature inversion profiles give intensities very similar to those for purely linear profiles.

Bergstrom, R. W.↗
DOE OSTI2019

Numerical study of the temperature dependence of the NMR relaxation rate across the superfluid–Bose glass transition in one dimension

Here, we study the nuclear magnetic resonance (NMR) spin-lattice relaxation rate 1/ T 1 1 in random one-dimensional spin chains as a function of the temperature and disorder strength. In the zero temperature limit, the system displays a disorder-induced quantum phase transition between a critical Tomonaga-Luttinger liquid (TLL) phase and a localized Bose glass phase. The 1/ T 1 is investigated across this transition using large-scale simulations based on matrix product state techniques. We find that this quantity can detect the transition and probe the value of the dimensionless TLL parameter K . We also compute the NMR relaxation rate distributions for each temperature and disorder strength considered. In particular, we discuss the applicability of the stretched exponential fit to the return-to-equilibrium function to extract the 1/ T 1 experimentally. The results presented here should provide valuable insights in regards of future NMR experiments in realistic disordered spin compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

High‐order symmetric cubature rules for tetrahedra and pyramids

Abstract In this article, we present an algorithm to construct high‐order fully symmetric cubature rules for tetrahedral and pyramidal elements, with positive weights and integration points that are in the interior of the domain. Cubature rules are fully symmetric if they are invariant to affine transformations of the domain. We divide the integration points into symmetry orbits where each orbit contains all the points generated by the permutation stars. These relations are represented by equality constraints. The construction of symmetric cubature rules require the solution of nonlinear polynomial equations with both inequality and equality constraints. For higher orders, we use an algorithm that consists of five sequential phases to produce the cubature rules. In the literature, symmetric numerical integration rules are available for the tetrahedron for orders p = 1 – 10, 14 , and for the pyramid up to p = 10 . We have obtained fully symmetric cubature rules for both of these elements up to order p = 20 . Numerical tests are presented that verify the polynomial‐precision of the cubature rules. Convergence studies are performed for the integration of exponential, weakly singular, and trigonometric test functions over both elements with flat and curved faces. With increase in p , improvements in accuracy is realized, though nonmonotonic convergence is observed.

Jaśkowiec, Jan↗
DOE OSTI2025

A Bayesian Framework for Spectral Reprojection

Abstract Fourier partial sum approximations yield exponential accuracy for smooth and periodic functions, but produce the infamous Gibbs phenomenon for non-periodic ones. Spectral reprojection resolves the Gibbs phenomenon by projecting the Fourier partial sum onto a Gibbs complementary basis, often prescribed as the Gegenbauer polynomials. Noise in the Fourier data and the Runge phenomenon both degrade the quality of the Gegenbauer reconstruction solution, however. Motivated by its theoretical convergence properties, this paper proposes a new Bayesian framework for spectral reprojection, which allows a greater understanding of the impact of noise on the reprojection method from a statistical point of view. We are also able to improve the robustness with respect to the Gegenbauer polynomials parameters. Finally, the framework provides a mechanism to quantify the uncertainty of the solution estimate.

Li, Tongtong (ORCID:0000000276644764)↗
DOE OSTI2016

Pyrolysis reaction networks for lignin model compounds: unraveling thermal deconstruction of β-O-4 and α-O-4 compounds

Although lignin is one of the main components of biomass, its pyrolysis chemistry is not well understood due to complex heterogeneity. To gain insights into this chemistry, the pyrolysis of seven lignin model compounds (five ..beta..-O-4 and two ..alpha..-O-4 linked molecules) was investigated in a micropyrolyzer connected to GC-MS/FID. According to quantitative product mole balance for the reaction networks, concerted retro-ene fragmentation and homolytic dissociation were strongly suggested as the initial reaction step for ..beta..-O-4 compounds and ..alpha..-O-4 compounds, respectively. The difference in reaction pathway between compounds with different linkages was believed to result from thermodynamics of the radical initiation. The rate constants for the different reaction pathways were predicted from ab initio density functional theory calculations and pre-exponential literature values. The computational findings were consistent with the experiment results, further supporting the different pyrolysis mechanisms for the ..beta..-ether linked and ..alpha..-ether linked compounds. A combination of the two pathways from the dimeric model compounds was able to describe qualitatively the pyrolysis of a trimeric lignin model compound containing both ..beta..-O-4 and ..alpha..-O-4 linkages.

09 BIOMASS FUELS↗
DOE OSTI2011

Dynamics of colloidal particles in ice

We use x-ray photon correlation spectroscopy (XPCS) to probe the dynamics of colloidal particles in polycrystalline ice. During freezing, the dendritic ice morphology and rejection of particles from the ice created regions of high particle density, where some of the colloids were forced into contact and formed disordered aggregates. The particles in these high density regions underwent ballistic motion, with a characteristic velocity that increased with temperature. This ballistic motion is coupled with both stretched and compressed exponential decays of the intensity autocorrelation function. We suggest that this behavior could result from ice grain boundary migration.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Quantum transport through disordered 1D wires: Conductance via localized and delocalized electrons

Coherent electronic transport through disordered systems, like quantum wires, is a topic of fundamental and practical interest. In particular, the exponential localization of electron wave functions-Anderson localization-due to the presence of disorder has been widely studied. In fact, Anderson localization, is not an phenomenon exclusive to electrons but it has been observed in microwave and acoustic experiments, photonic materials, cold atoms, etc. Nowadays, many properties of electronic transport of quantum wires have been successfully described within a scaling approach to Anderson localization. On the other hand, anomalous localization or delocalization is, in relation to the Anderson problem, a less studied phenomenon. Although one can find signatures of anomalous localization in very different systems in nature. In the problem of electronic transport, a source of delocalization may come from symmetries present in the system and particular disorder configurations, like the so-called Lévy-type disorder. We have developed a theoretical model to describe the statistical properties of transport when electron wave functions are delocalized. In particular, we show that only two physical parameters determine the complete conductance distribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Fabrication of reproducible sub-5 nm nanogaps by a focused ion beam and observation of Fowler-Nordheim tunneling

Creating a stable high resistance sub-5 nm nanogap in between conductive electrodes is one of the major challenges in the device fabrication of nano-objects. Gap-sizes of 20 nm and above can be fabricated reproducibly by the precise focusing of the ion beam and careful milling of the metallic lines. Here, by tuning ion dosages starting from 4.6 × 10{sup 10} ions/cm and above, reproducible nanogaps with sub-5 nm sizes are milled with focused ion beam. The resistance as a function of gap dimension shows an exponential behavior, and Fowler-Nordheim tunneling effect was observed in nanoelectrodes with sub-5 nm nanogaps. The application of Simmon's model to the milled nanogaps and the electrical analysis indicates that the minimum nanogap size approaches to 2.3 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Structures of glass-forming liquids by x-ray scattering: Glycerol, xylitol, and D-sorbitol

In this work, synchrotron X-ray scattering has been used to investigate three liquid polyalcohols of different sizes (glycerol, xylitol and D-sorbitol) from above the glass transition temperatures $T_g$ to below. We focus on two structural orders: the association of the polar OH groups by hydrogen bonds (HBs) and the packing of the non-polar hydrocarbon groups. We find that the two structural orders evolve very differently reflecting the different natures of bonding. Upon cooling from 400 K, the O$\cdots$O correlation at 2.8 Å increases significantly in all three systems, indicating more HBs, until kinetic arrest at $T_g$; the increase is well described by an equilibrium between bonded and non-bonded OH with ΔH = 9.1 kJ/mol and ΔS = 13.4 J/mol/K. When heated above $T_g$, glycerol loses the fewest HBs per OH, followed by xylitol and by D-sorbitol, in the same order the number of OH groups per molecule increases (3, 5, and 6). The pair correlation functions of all three liquids show exponentially damped density modulations of wavelength 4.5 Å, which are associated with the main scattering peak and with the intermolecular C$\cdots$C correlation. In this respect, glycerol is the most ordered with the most persistent density ripples, followed by D-sorbitol and by xylitol. Heating above $T_g$ causes faster damping of the density ripples with the rate of change being the slowest in xylitol, followed by glycerol and by D-sorbitol. Given the different dynamic fragility of the three liquids (glycerol being the strongest and D-sorbitol the most fragile), we relate our results to the current theories of the structural origin for the difference. We find that the fragility difference is better understood on the basis of the thermal stability of HB clusters than that of the structure associated with the main scattering peak.

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

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei

Background: Ab initio many-body methods have been developed over the past 10 yr to address closed-shell nuclei up to mass A≈130 on the basis of realistic two- and three-nucleon interactions. A current frontier relates to the extension of those many-body methods to the description of open-shell nuclei. Several routes to address open-shell nuclei are currently under investigation, including ideas that exploit spontaneous symmetry breaking. Purpose: Singly open-shell nuclei can be efficiently described via the sole breaking of U(1) gauge symmetry associated with particle-number conservation as a way to account for their superfluid character. While this route was recently followed within the framework of self-consistent Green's function theory, the goal of the present work is to formulate a similar extension within the framework of coupled cluster theory. Methods: We formulate and apply Bogoliubov coupled cluster (BCC) theory, which consists of representing the exact ground-state wave function of the system as the exponential of a quasiparticle excitation cluster operator acting on a Bogoliubov reference state. Equations for the ground-state energy and the cluster amplitudes are derived at the singles and doubles level (BCCSD) both algebraically and diagrammatically. The formalism includes three-nucleon forces at the normal-ordered two-body level. The first BCC code is implemented in m scheme, which will permit the treatment of doubly open-shell nuclei via the further breaking of SU(2) symmetry associated with angular momentum conservation. Results: Proof-of-principle calculations in an N max =6 spherical harmonic oscillator basis for 16,18 O and 18 Ne in the BCCD approximation are in good agreement with standard coupled cluster results with the same chiral two-nucleon interaction, while 20 O and 20 Mg display underbinding relative to experiment. The breaking of U(1) symmetry, monitored by computing the variance associated with the particle-number operator, is relatively constant for all five nuclei, in both the Hartree-Fock-Bogoliubov and BCCD approximations. Conclusions: The newly developed many-body formalism increases the potential span of ab initio calculations based on single-reference coupled cluster techniques tremendously, i.e., potentially to reach several hundred additional midmass nuclei. The new formalism offers a wealth of potential applications and further extensions dedicated to the description of ground and excited states of open-shell nuclei. Short-term goals include the implementation of three-nucleon forces at the normal-ordered two-body level. Midterm extensions include the approximate treatment of triples corrections and the development of the equation-of-motion methodology to treat both excited states and odd nuclei. Long-term extensions include exact restoration of U(1) and SU(2) symmetries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Experimental determination of the neutron channeling length in a planar waveguide

In neutron waveguides, the neutron wave is confined inside the guiding layer of the structure and can escape from the layer edge as a microbeam. The channeling within the guiding layer is accompanied by an exponential decay of the neutron wave function density inside the waveguide. Here, we report direct determination of the corresponding decay constant, termed the neutron channeling length. For this, we measured the microbeam intensity as a function of the length of a neutron absorbing layer of variable length placed onto the surface of a waveguide structure. Such planar neutron waveguides transform a conventional neutron beam into an extremely narrow but slightly divergent microbeam, which can be used for the investigation of nanostructures with submicron spatial resolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Parametrization of the shape of hadron-production spectra in high-energy particle interactions

The transverse-momentum dependence of inclusive differential cross sections measured in various collider experiments for processes involving the production of long-lived charged hadrons was approximated by the sum of an exponential and a power-law function. The dependence of the parameters appearing in these functions on the colliding-particle energy and type was studied, and relationships between these parameters were established. A number of new regularities in the behavior of charged-particle spectra were discovered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

( Fermi Fermi)study of γ-ray millisecond pulsars: the spectral shape and pulsed emission from J0614-3329 up to 60 GeV

We report our analysis of the Fermi Large Area Telescope data for 39 millisecond pulsars (MSPs) listed in the second γ-ray pulsar catalog. Spectra of the pulsars are obtained. We fit the spectra with a function of a power law with exponential cutoff, and find the best-fit parameters of photon index Γ=1.54{sub −0.11}{sup +0.10} and cutoff energy E{sub c}=3.70{sub −0.70}{sup +0.95} GeV. This spectral shape, which includes the intrinsic differences in the spectra of the MSPs, can be used for finding candidate MSPs and unidentified types of sources detected by Fermi at high Galactic latitudes. In one of the MSPs, PSR J0614−3329, we find significant pulsed emission up to 60 GeV. The result has thus added this MSP to the group of pulsars that have been detected with pulsed emission at energies of tens of GeV. Comparing the γ-ray spectrum of PSR J0614−3329 with those of the Crab and Vela pulsars, we discuss possible emission mechanisms for the very high-energy component.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

The prediction of millimeter wavelength precipitation attenuation using a cylindrical storm cell model

The single terminal and two terminal diversity precipitation attenuation distributions are calculated for a millimeter wavelength earth-satellite propagation path. The calculated probability distributions are compared to attenuation probability distributions measured at two locations with the ATS-5 millimeter wavelength experimental 15.63 GHz downlink. Using an empirically derived three mode exponential cell diameter-rain rate function, the calculated distributions agreed within -2 to +1 db of the measured distributions for both terminal locations. The sensitivity of the calculated distribution to variations of the cell model parameters was also investigated.

Zintsmaster, L. R.↗
NASA NTRS1985

Proton-air inelastic cross section at S(1/2) = 30 TeV

The distribution of the maxima of high energy cosmic ray induced extensive air showers in the atmosphere was measured as a function of atmospheric depth. From the exponential tail of this distribution, it was determined that the proton-air inelastic cross section at 30 TeV center-of-mass energy to be 540 + or - 40mb.

Baltrusaitis, R. M.↗
NASA NTRS1989

Vibrational relaxation of OH (X 2Pi sub i, v = 2)

A two-laser pump-and-probe technique is used to determine vibrational relaxation rates for the v = 2 level of the X 2Pi sub i state of the OH radical. In the present method, the time delay between the lasers is scanned at a given collider pressure, producing exponential decay whose rate as a function of collider pressure yields the rate constant. With the exception of ammonia, the values obtained are two to three orders of magnitude smaller than those found for relaxation of v = 1 in the A 2Sigma(+) excited state of OH.

Rensberger, Karen J.↗
NASA NTRS2000

Magnetic Field Suppression of Flow in Semiconductor Melt

One of the most promising approaches for the reduction of convection during the crystal growth of conductive melts (semiconductor crystals) is the application of magnetic fields. Current technology allows the experimentation with very intense static fields (up to 80 KGauss) for which nearly convection free results are expected from simple scaling analysis in stabilized systems (vertical Bridgman method with axial magnetic field). However, controversial experimental results were obtained. The computational methods are, therefore, a fundamental tool in the understanding of the phenomena accounting during the solidification of semiconductor materials. Moreover, effects like the bending of the isomagnetic lines, different aspect ratios and misalignments between the direction of the gravity and magnetic field vectors can not be analyzed with analytical methods. The earliest numerical results showed controversial conclusions and are not able to explain the experimental results. Although the generated flows are extremely low, the computational task is a complicated because of the thin boundary layers. That is one of the reasons for the discrepancy in the results that numerical studies reported. Modeling of these magnetically damped crystal growth experiments requires advanced numerical methods. We used, for comparison, three different approaches to obtain the solution of the problem of thermal convection flows: (1) Spectral method in spectral superelement implementation, (2) Finite element method with regularization for boundary layers, (3) Multiquadric method, a novel method with global radial basis functions, that is proven to have exponential convergence. The results obtained by these three methods are presented for a wide region of Rayleigh and Hartman numbers. Comparison and discussion of accuracy, efficiency, reliability and agreement with experimental results will be presented as well.

Fedoseyev, A. I.↗