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NASA NTRS1989

The Lyman edge test of the quasar emission mechanism

The Lyman edge region in the spectra of 11 high-redshift quasars is studied using data designed to detect broadened Lyman edge absorption predicted by thermal models of the 'big blue bump' continuum component, especially thin accretion disks. Three objects have broadened, partial edges near the systemic redshifts, as expected for thermal models. In two cases, however, narrow Lyamn lines with the edge absorption, ruling out the disk interpretation. Thus, the data are negative for thermal models, at least for opaque thin accretion disks.

Antonucci, R. R. J.↗

NASA NTRS2006

Structural Continuum Modeling of Space Shuttle External Tank Foam Insulation

This document is a viewgraph presentation reporting on work in modeling the foam insulation of the Space Shuttle External Tank. An analytical understanding of foam mechanics is required to design against structural failure. The Space Shuttle External Tank is covered primarily with closed cell foam to: Prevent ice, Protect structure from ascent aerodynamic and engine plume heating, and Delay break-up during re-entry. It is important that the foam does not shed unacceptable debris during ascent environment. Therefore a modeling of the foam insulation was undertaken.

Steeve, Brian↗

DOE OSTI2021

Solitons in lattice field theories via tight-binding supersymmetry

Reflectionless potentials play an important role in constructing exact solutions to classical dynamical systems (such as the Korteweg-de Vries equation), non-perturbative solutions of various large-N field theories (such as the Gross-Neveu model), and closely related solitonic solutions to the Bogoliubov-de Gennes equations in the theory of superconductivity. These solutions rely on the inverse scattering method, which reduces these seemingly unrelated problems to identifying reflectionless potentials of an auxiliary one-dimensional quantum scattering problem. There are several ways of constructing these potentials, one of which is quantum mechanical supersymmetry (SUSY). In this paper, motivated by recent experimental platforms, we generalize this framework to develop a theory of lattice solitons. We first briefly review the classical inverse scattering method in the continuum limit, focusing on the Korteweg-de Vries (KdV) equation and SU(N) Gross-Neveu model in the large N limit. We then generalize this methodology to lattice versions of interacting field theories. Our analysis hinges on the use of trace identities, which are relations connecting the potential of an equation of motion to the scattering data. For a discrete Schrödinger operator, such trace identities had been known as far back as Toda; however, we derive a new set of identities for the discrete Dirac operator. We then use these identities in a lattice Gross-Neveu and chiral Gross-Neveu (Nambu-Jona-Lasinio) model to show that lattice solitons correspond to reflectionless potentials associated with the discrete scattering problem. These models are of significance as they are equivalent to a mean-field theory of a lattice superconductor. To explicitly construct these solitons, we generalize supersymmetric quantum mechanics to tight-binding models. We show that a matrix transformation exists that maps a tight-binding model to an isospectral one which shares the same structure and scattering properties. The corresponding soliton solutions have both modulated hopping and onsite potential, the former of which has no analogue in the continuum limit. We explicitly compute both topological and non-topological soliton solutions as well as bound state spectra in the aforementioned models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

A model of thermal creep and annealing in finite domains based on coupled dislocation climb and vacancy diffusion

Here, we develop a framework to investigate thermal creep and annealing in finite domains, where the climb motion of discrete dislocations is coupled to the diffusion of a continuum vacancy field. The model is first formulated in a continuum finite-deformation setting. All governing equations and boundary conditions are obtained from a unified irreversible thermodynamics principle. The resulting model couples a mechanical boundary value problem (BVP), a vacancy diffusion BVP, and the climb and glide motion of the discrete dislocation network within the crystal. The framework is then linearized for implementation in three-dimensional (3D) discrete dislocation dynamics (DDD) simulations for arbitrary anisotropic crystals. A solution scheme is developed based on the superposition principle, which is imposed weakly on the dislocation network to obtain a Galerkin solution for the nodal climb velocities. The framework includes diffusional (Nabarro–Herring) creep deformation as well as dislocation creep by climb-assisted-glide. The method is applied to simulate the annealing of vacancy loops in Al, with good agreement to experimental measurements by Silcox and Hirsch. We further consider the effects of annealing under stress, and of the proximity of the vacancy loops to loaded and free boundaries Simulations in polycrystalline materials are carried out to highlight the effects of the grain size on dislocation climb and vacancy loop annealing. The method is also applied to estimate the creep rate due to climb-assisted glide of jogged-screw dislocations in γ-TiAl, and results are compared to experiments by Viswanathan et al. Finally, we discuss the effects of uniaxial and hydrostatic stresses on the two diffusive deformation pathways of the material, namely Nabarro–Herring creep and dislocation climb.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Quantum mechanical theory of collisional ionization in the presence of intense laser radiation

The paper presents a quantum mechanical formalism for treating ionizing collisions occurring in the presence of an intense laser field. Both the intense laser radiation and the internal electronic continuum states associated with the emitted electrons are rigorously taken into account by combining discretization techniques with expansions in terms of electronic-field representations for the quasi-molecule-plus-photon system. The procedure leads to a coupled-channel description of the heavy-particle dynamics which involves effective electronic-field potential surfaces and continua. It is suggested that laser-influenced ionizing collisions can be studied to verify the effects of intense laser radiation on inelastic collisional processes. Calculation procedures for electronic transition dipole matrix elements between discrete and continuum electronic states are outlined.

Bellum, J. C.↗

NASA NTRS1984

Spectral components at visual and infrared wavelengths in active galactic nuclei

Aperture-dependent infrared photometry of active galactic nuclei are presented which illustrate the importance of eliminating starlight of the galaxy in order to obtain the intrinsic spectral distribution of the active nuclei. Separate components of emission are required to explain the infrared emission with a spectral index of alpha approx = 2 and the typical visual-ultraviolet continuum with alpha approx = 0.3 (where F(nu) varies as nu(sup-alpha). Present evidence does not allow unique determination of the appropriate mechanisms, but the characteristics of each are discussed.

Stein, W. A.↗

NASA NTRS1989

Gamma-ray evidence for a stellar-mass black hole near the Galactic center

An analysis of the time variability of the observed 511-keV line emission from the direction of the Galactic center and the correlation of its variations in the continuum emission above 511 keV from the same direction suggest the existence of a compact object at or near the Galactic center. A possible mechanism of the observed positron annihilation is consistent with a compact interaction region of the order of 10 to the 8th cm. A black hole of several hundred solar masses is favored as a candidate for this compact object; arguments in support of this suggestion are presented.

Ramaty, Reuven↗

NASA NTRS1990

Biological research on Space Station Freedom

The paper discusses laboratory capabilities of the SSF which permit long-term, systematic investigations into the effects of the space environment, particularly the effect of microgravity, on a range of biological specimens. The ability to manipulate gravity levels between 0 and 2.0 g makes it possible to examine gravitational effects along a continuum. Space centrifuge research is expected to lead to practical applications in areas such as aging, treating malfunctions of the body regulatory and defense mechanisms, improving agricultural production, and extending human performance.

Chambers, L. P.↗

NASA NTRS2002

A Thermodynamic Theory Of Solid Viscoelasticity. Part 1: Linear Viscoelasticity.

The present series of three consecutive papers develops a general theory for linear and finite solid viscoelasticity. Because the most important object for nonlinear studies are rubber-like materials, the general approach is specified in a form convenient for solving problems important for many industries that involve rubber-like materials. General linear and nonlinear theories for non-isothermal deformations of viscoelastic solids are developed based on the quasi-linear approach of non-equilibrium thermodynamics. In this, the first paper of the series, we analyze non-isothermal linear viscoelasticity, which is applicable in a range of small strains not only to all synthetic polymers and bio-polymers but also to some non-polymeric materials. Although the linear case seems to be well developed, there still are some reasons to implement a thermodynamic derivation of constitutive equations for solid-like, non-isothermal, linear viscoelasticity. The most important is the thermodynamic modeling of thermo-rheological complexity , i.e. different temperature dependences of relaxation parameters in various parts of relaxation spectrum. A special structure of interaction matrices is established for different physical mechanisms contributed to the normal relaxation modes. This structure seems to be in accord with observations, and creates a simple mathematical framework for both continuum and molecular theories of the thermo-rheological complex relaxation phenomena. Finally, a unified approach is briefly discussed that, in principle, allows combining both the long time (discrete) and short time (continuous) descriptions of relaxation behaviors for polymers in the rubbery and glassy regions.

Freed, Alan D.↗

NASA NTRS2009

Simulation of RCC Crack Growth Due to Carbon Oxidation in High-Temperature Gas Environments

The carbon wall oxidation technique coupled with a CFD technique was employed to study the flow in the expanding crack channel caused by the oxidation of the channel carbon walls. The recessing 3D surface morphing procedure was developed and tested in comparison with the arcjet experimental results. The multi-block structured adaptive meshing was used to model the computational domain changes due to the wall recession. Wall regression rates for a reinforced carbon-carbon (RCC) samples, that were tested in a high enthalpy arcjet environment, were computationally obtained and used to assess the channel expansion. The test geometry and flow conditions render the flow regime as the transitional to continuum, therefore Navier-Stokes gas dynamic approach with the temperature jump and velocity slip correction to the boundary conditions was used. The modeled mechanism for wall material loss was atomic oxygen reaction with bare carbon. The predicted channel growth was found to agree with arcjet observations. Local gas flow field results were found to affect the oxidation rate in a manner that cannot be predicted by previous mass loss correlations. The method holds promise for future modeling of materials gas-dynamic interactions for hypersonic flight.

Titov, E. V.↗

DOE OSTI2024

A multiscale model to understand the interface chemistry, contacts, and dynamics during lithium stripping

A reversible Li-metal electrode, paired with a solid electrolyte, is critical for attaining higher energy density and safer batteries beyond the current lithium-ion cells. A stable stripping process may be even harder to attain as the stripping process will remove Li-atoms from the surface, and naturally reduce surface contact area, if not self-corrected by other mechanisms, such as diffusion and plastic deformation under an applied external stack pressure. Here, we capture these mechanisms occurring at multiple length- and time- scales, i.e., interface interactions, vacancy hopping, and plastic deformation, by integrating density functional theory (DFT) simulations, kinetic Monte Carlo (KMC), and continuum finite element method (FEM). By assuming the self-affine nature of multiscale contacts, we predict the steady-state contact area as a function of stripping current density, interface wettability, and stack pressure. We further estimate the exponential increase of overpotential due to contact area loss to maintain the same stripping current density. We demonstrate that a lithiophilic interface requires less stack pressure to reach the same steady-state contact area fraction than a lithiophobic interface. A “tolerable steady-state” contact area loss for maintaining stable stripping is estimated at 20 %, corresponding to a 10 % increase in overpotential. To constrain contact loss within the tolerance, the required stack pressure is 0.1, 0.5, and 2 times the yield strength of lithium metal for three distinct interfaces, lithiophilic Li/lithium oxide(Li2O), Li/lithium lanthanum zirconium oxide(LLZO), and lithiophoblic Li/lithium fluoride(LiF), respectively. The modeling results agree with experiments on the impact of the stack pressure quantitatively, while the discrepancy in stripping rate sensitivity is attributed to the simplifying interface interaction in our simulations. Overall, this multiscale simulation framework demonstrates the importance of electrochemical-mechanical coupling in understanding the dynamics of the Li/SE interface during stripping.

Feng, Min↗

NASA NTRS1991

Orbit crowding of molecular gas at a bar-spiral arm transition zone in M83

The southwestern bar-spiral arm transition zone in M83 is been studied in CO, H-alpha, H I, red light, and the radio continuum. A massive molecular gas complex in the heart of the transition zone is composed or two principal components which have the morphology and kinematics expected from orbit crowding, where gas on highly elliptical orbits form the bar region converges with gas on more circular orbits from the spiral arm region. Three mechanisms for the origin of the orbit crowding are investigated, and it is proposed that the crowding is due primarily to density wave streaming motions caused by the bar and spiral arms. The inner CO component is partially coincident with a region of highly polarized radio continuum emission which precedes the H-alpha spiral arm by 15-25 arcsec, indicating that it lies on or just downstream from a shock front. This suggests that the bar gas approaching the transition zone is shocked and explains the ridge of dense gas seen upstream from the spiral arm.

Kenney, Jeffrey D. P.↗

DOE OSTI2024

On the Statistical Mechanics of Mass Accommodation at Liquid–Vapor Interfaces

Here we propose a framework for describing the dynamics associated with the adsorption of small molecules to liquid-vapor interfaces using an intermediate resolution between traditional continuum theories that are bereft of molecular detail and molecular dynamics simulations that are replete with them. In particular, we develop an effective single particle equation of motion capable of describing the physical processes that determine thermal and mass accommodation probabilities. The effective equation is parametrized with quantities that vary through space away from the liquid-vapor interface. Of particular importance in describing the early time dynamics is the spatially dependent friction, for which we propose a numerical scheme to evaluate from molecular simulation. Taken together with potentials of mean force computable with importance sampling methods, we illustrate how to compute the mass accommodation coefficient and residence time distribution. Throughout, we highlight the case of ozone adsorption in aqueous solutions and its dependence on electrolyte composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

A radio continuum survey of edge-on spiral galaxies at 90 cm

Accurate spectral indices of the radio emission from both the thin disk and thick disk or halo components are critical to understanding the propagation mechanisms of electrons within spiral galaxies. The spectral indices give information of relative importance of diffusion and synchrotron energy loss in the propagation of electrons in the disk. Our goal of this survey is to locate a larger sample of spiral galaxies that exhibit halo phenomena so that a statistical analysis will be possible.

Heikkila, B.↗

DOE OSTI2026

Microstructure, Transport, and Mechanics of Compacted Clay Simulated at the 0.1 μm Scale (1400 Smectite Clay Particles) Using a Coarse-Grained Model with Explicit Counterions

Clay-rich geomaterials play a critical role in many subsurface systems. The macroscale properties of these materials (low permeability, high ionic conductivity, high swelling pressure, etc.) are sensitive to molecular-level adsorption and hydration interactions at clay−water interfaces. Efforts to develop multiscale simulation approaches to predict these properties reveal a scale gap between atomistic simulations (typically limited to systems smaller than 10 nm) and continuum-scale models (which use computational grid elements with dimensions ≳ 10 μm). In this study, we present a coarse-grained (CG) framework that partly bridges this gap by simulating compacted smectite clay assemblages with dimensions of 0.1 μm containing 1,400 clay particles across a range of dry densities (1,050 to 1,850 kg·m −3 ) and Na/Ca counterion compositions (Na fraction ranging from 0.2 to 1). The simulated systems, along with their reconstructed binary three-dimensional pore networks, are used to evaluate the microstructure, pore size distribution, tortuosity, ion diffusivity, and swelling pressure of compacted smectite clay. Results show that our approach captures important features of the mesoscale heterogeneity of compacted clays, including tactoid formation, hierarchical porosity, and anisotropic pore networks. Results also reveal how compaction and counterion composition govern emergent behaviors, including dominant pore sizes, directional transport, and electrochemical response. This work highlights the potential of CG simulations to bridge molecular and continuum scales and to advance geotechnical and environmental applications involving clay-rich materials as well as related nanoporous media such as geopolymers and calcium-silicate-hydrate. However, the results also suggest that accurate prediction of certain microstructural and mechanical properties (e.g., swelling pressure) may require even larger-scale systems on the order of 1 μm.

02 PETROLEUM↗

NASA NTRS1979

Airglow events visible to the naked eye

During IR photographic airglow observations covering several years, three naked-eye events have been recorded. Two of these are moving luminous acoustic-gravity-wave groups of some 10-15-km wavelength, which occur near high lunar tide in the atmosphere. The events appear quickly, endure 0.5-1 h, then fade. Visible photos of two events appear enhanced, while little enhancement is present in the IR photos, although the structures are well correlated. If these events are due to OH, it is suggested that some unrecognized mechanism, perhaps a gravity wave interaction, enhances the visible transitions of the OH over the IR transitions. If the events are due to an unrecognized continuum emitter, perhaps NO, its emission must occur at the same height as the OH. Spectra seem to be the only reasonable approach to solving this problem.

Peterson, A. W.↗

NASA NTRS1986

Far-ultraviolet background observations at high galactic latitude. II - Diffuse emission

A single spectrum, of extremely long integration time, is used to place stringent new limits on the diffuse far-UV background in the 500-1200 A region. This spectrum, obtained in the vicinity of the North Galactic Pole with the Voyager 2 UV spectrometer, can be explained solely on the basis of resonant scattering from interplanetary H I and He I. Limits on any additional sources of sky background radiation corresponding to 100-200 photons/sq cm per sec/sr per A for continuum emission and 6000 photons/sq cm per sec/sr for line emission are demonstrated. Comparisons of these upper limits with existing measurements and various potential source mechanisms are discussed. The first detection of resonantly scattered interplanetary H I Ly-gamma (973 A) emission is reported.

Holberg, J. B.↗

NASA NTRS1999

Interstellar Polycyclic Aromatic Compounds and Astrophysics

Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules; ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model

Hodgins, Douglas M.↗