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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Interactive Spectral Analysis and Computation (ISAAC)

Isaac is a task in the NSO external package for IRAF. A descendant of a FORTRAN program written to analyze data from a Fourier transform spectrometer, the current implementation has been generalized sufficiently to make it useful for general spectral analysis and other one dimensional data analysis tasks. The user interface for Isaac is implemented as an interpreted mini-language containing a powerful, programmable vector calculator. Built-in commands provide much of the functionality needed to produce accurate line lists from input spectra. These built-in functions include automated spectral line finding, least squares fitting of Voigt profiles to spectral lines including equality constraints, various filters including an optimal filter construction tool, continuum fitting, and various I/O functions.

Lytle, D. M.↗
DOE OSTI2026

A Gauss-Radau-Laguerre Discrete Variable Representation for Use in Continuum Electron Dynamics

In this work, we detail an implementation, suitable for calculations on highly correlated ionizing systems, of a modified finite element discrete variable representation (FE-DVR) appended with a Gauss-Radau-Laguerre element. The appended element includes exterior complex scaling (ECS) to impose outgoing wave boundary conditions on treatments of processes involving continuum electrons. In this “infinite range” ECS (irECS), the complications that introduce reflections from the end of the grid when the last ECS finite element has finite range are avoided by the use of the Laguerre-weighted exponentially decaying tails, while outgoing wave boundary conditions are still imposed via the ECS transformation. For highly correlated systems in the absence of strong external fields we find that accurate two-electron integrals are essential in this modified FE-DVR. To accurately compute the two-electron integrals over the entire ECS contour, we present a detailed examination of the implications from the boundary terms that arise in a solution of Poisson’s equation with the Radau-Laguerre basis. A boundary term correction is necessary, and when included, the Radau-Laguerre DVR can accurately describe highly correlated states such as the doubly excited states of helium over the entire ECS contour.

elements↗
DOE OSTI2024

A Vision for the Science of Rare Isotopes

The field of nuclear science has considerably advanced since its beginning just over a century ago. Today, the science of rare isotopes is on the cusp of a new era with theoretical and computing advances complementing experimental capabilities at new facilities internationally. In this article we present a vision for the science of rare isotope beams (RIBs). We do not attempt to cover the full breadth of the field; rather, we provide a perspective and address a selection of topics that reflect our own interests and expertise. We focus in particular on systems near the drip lines, where one often finds nuclei that are referred to as exotic and where the role of the nuclear continuum is only just starting to be explored. An important aspect of this article is its attempt to highlight the crucial connections between nuclear structure and the nuclear reactions required to fully interpret and leverage the rich data to be collected in the next years at RIB facilities. Further, we connect the efforts in structure and reactions to key questions of nuclear astrophysics.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1991

Combined structures-controls optimization of lattice trusses

The role that distributed parameter model can play in CSI is demonstrated, in particular in combined structures controls optimization problems of importance in preliminary design. Closed form solutions can be obtained for performance criteria such as rms attitude error, making possible analytical solutions of the optimization problem. This is in contrast to the need for numerical computer solution involving the inversion of large matrices in traditional finite element model (FEM) use. Another advantage of the analytic solution is that it can provide much needed insight into phenomena that can otherwise be obscured or difficult to discern from numerical computer results. As a compromise in level of complexity between a toy lab model and a real space structure, the lattice truss used in the EPS (Earth Pointing Satellite) was chosen. The optimization problem chosen is a generic one: of minimizing the structure mass subject to a specified stability margin and to a specified upper bond on the rms attitude error, using a co-located controller and sensors. Standard FEM treating each bar as a truss element is used, while the continuum model is anisotropic Timoshenko beam model. Performance criteria are derived for each model, except that for the distributed parameter model, explicit closed form solutions was obtained. Numerical results obtained by the two model show complete agreement.

Balakrishnan, A. V.↗
NASA NTRS2010

Study of Plume Impingement Effects in the Lunar Lander Environment

Plume impingement effects from the descent and ascent engine firings of the Lunar Lander were analyzed in support of the Lunar Architecture Team under the Constellation Program. The descent stage analysis was performed to obtain shear and pressure forces on the lunar surface as well as velocity and density profiles in the flow field in an effort to understand lunar soil erosion and ejected soil impact damage which was analyzed as part of a separate study. A CFD/DSMC decoupled methodology was used with the Bird continuum breakdown parameter to distinguish the continuum flow from the rarefied flow. The ascent stage analysis was performed to ascertain the forces and moments acting on the Lunar Lander Ascent Module due to the firing of the main engine on take-off. The Reacting and Multiphase Program (RAMP) method of characteristics (MOC) code was used to model the continuum region of the nozzle plume, and the Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) was used to model the impingement results in the rarefied region. The ascent module (AM) was analyzed for various pitch and yaw rotations and for various heights in relation to the descent module (DM). For the ascent stage analysis, the plume inflow boundary was located near the nozzle exit plane in a region where the flow number density was large enough to make the DSMC solution computationally expensive. Therefore, a scaling coefficient was used to make the DSMC solution more computationally manageable. An analysis of the effectiveness of this scaling technique was performed by investigating various scaling parameters for a single height and rotation of the AM. Because the inflow boundary was near the nozzle exit plane, another analysis was performed investigating three different inflow contours to determine the effects of the flow expansion around the nozzle lip on the final plume impingement results.

Marichalar, Jeremiah↗
NASA NTRS1989

Rarefied-continuum gas dynamics transition for SUMS project

This program is to develop an analytic method for reducing SUMS data for the determination of the undisturbed atmosphere conditions ahead of the shuttle along its descending trajectory. It is divided into an internal flow problem, an external flow problem and their matching conditions. Since the existing method of Direct Simulation Monte Carlo (DSMC) failed completely for the internal flow problem, the emphasis is on the internal flow of a highly non-equilibrium, rarefied air through a short tube of a diameter much less than the gaseous mean free path. A two fluid model analysis of this internal flow problem has been developed and studied with typical results illustrated. A computer program for such an analysis and a technical paper published in Lecture Notes in Physics No. 323 (1989) are included as Appendices 3 and 4. A proposal for in situ determination of the surface accommodation coefficients sigma sub t and sigma e is included in Appendix 5 because of their importance in quantitative data reduction. A two fluid formulation for the external flow problem is included as Appendix 6 and a review article for AIAA on Hypersonic propulsion, much dependent on ambient atmospheric density, is also included as Appendix 7.

Cheng, Sin-I↗
DOE OSTI2022

mesoflow [SWR-22-56]

Mesoflow is a continuum scale simulation tool developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex surface morphologies (of catalysts/biomass particles among others) directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPU) compared to a single processor for representative problem sizes (2 million cell mesh).

Sitaraman, Hariswaran↗
NASA NTRS1997

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for these types of calculations. Here we describe a recently developed technique, the finite element Z-matrix method, Analogous to the R-matrix, method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics, the Z-matrix method is fully variational. In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A3Su+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N2, and to the lowest two limits in the case of CF. For N2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X1 Sg+ state, but direct dissociation appears to be preferable if the initial state is the A3Su+ state. Multi-configuration SCF target functions are used in the collisional calculation.

Huo, Winifred M.↗
NASA NTRS1982

Gamma radiation and photospheric white-light flare continuum

It is noted that recent gamma-ray observations of solar flares have provided a better means for estimating the heating of the solar atmosphere by energetic protons. This type of heating has been suggested as the explanation of the continuum emission of the white-light flare. The effects on the photosphere of high-energy particles capable of producing the intense gamma-ray emission observed in the flare of July 11, 1978, are analyzed. A simple energy-balance argument is used, and hydrogen ionization is taken into account. It is found that energy deposition increases with height for the inferred proton spectra and is not strongly dependent upon the assumed angle of incidence. At the top of the photosphere, the computed energy inputs fall in the range 10-100 ergs/cu cm-s.

Hudson, H. S.↗
DOE OSTI2025

Magnon damping and mode softening in quantum double-exchange ferromagnets

We present a comprehensive analysis of the magnetic excitations and electronic properties of fully quantum double-exchange ferromagnets, i.e. systems where ferromagnetic (FM) ordering emerges from the competition between spin, charge, and orbital degrees of freedom, but without the canonical approximation of using classical localized spins. Specifically, we investigate spin excitations within the Kondo lattice-like model, as well as a two-orbital Hubbard Hamiltonian in proximity to the orbital-selective Mott phase. Computational analysis of the magnon dispersion, damping, and spectral weight within these models reveals unexpected phenomena, such as magnon mode softening and the anomalous decoherence of magnetic excitations as observed in earlier experimental efforts, but explained here without the use of the phononic degrees of freedom. We show that these effects are intrinsically linked to incoherent spectral features near the Fermi level, which arise due to the quantum nature of the local (on-site) triplets. This incoherent spectrum leads to a Stoner-like continuum on which spin excitations scatter, governing magnon lifetime and strongly influencing the dynamical spin structure factor. Our study explores the transition from coherent to incoherent magnon spectra by varying the electron density. Furthermore, we demonstrate that the magnitude of the localized spin mitigates decoherence by suppressing the incoherent spectral contributions near the Fermi level. We also discuss the effective J 1 –J 2 spin Hamiltonian, which can accurately describe the large doping region characterized by the magnon-mode softening. Finally, we show that this behavior is also present in multiorbital models with partially filled orbitals, namely, in systems without localized spin moments, provided that the model is in a strong coupling regime. Our results potentially have far-reaching implications for understanding FM ordering in various multi-band systems. These findings establish a previously unknown direct connection between the electronic correlations of those materials and spin excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1983

Cloud-particle galactic gas dynamics and star formation

Galactic gas dynamics, spiral structure, and star formation are discussed in relation to N-body computational studies based on a cloud-particle model of the interstellar medium. On the small scale, the interstellar medium is seen as cloud-dominated and supernova-perturbed. It is noted that the cloud-particle model simulates cloud-cloud collisions, the formation of stellar associations, and supernova explosions as dominant local processes. On the large scale, in response to a spiral galactic gravitational field, global density waves and galactic shocks develop having large-scale characteristics similar to those found in continuum gas dynamical studies. Both the system of gas clouds and the system of young stellar associations forming from the clouds figure in the global spiral structure. However, with the attributes of neither assuming a continuum of gas (as in continuum gas dynamical studies) or requiring a prescribed equation of state (such as the isothermal condition), the cloud-particle picture retains much of the detail lost in earlier work. By detail is meant the small-scale features and structures so important in understanding the local, turbulent state of the interstellar medium as well as the degree of raggedness often seen to be superposed on the global spiral structure.

Roberts, W. W., Jr.↗
NASA NTRS1974

Free-free absorption of infrared radiation in collisions of electrons with neutral rare-gas atoms

A relationship between the inverse bremsstrahlung absorption cross section and the electron neutral momentum transfer cross section has been utilized to determine the infrared free-free continuum absorption coefficient for the negative ions of helium, neon, argon, krypton, and xenon. The values of the momentum transfer cross section for this calculation have been obtained from experimental measurements. Analytical expressions for the absorption coefficient have also been developed. From the results of this calculation, it is possible to determine the absorption coefficient per unit electron density per neutral atom for temperatures in the range from 2500 to 25,000 K. The results are compared with those from tabulations of previous calculations and those computed from theoretical values of the phase shifts for the elastic scattering of electrons by neutral atoms.

Stallcop, J. R.↗
NASA NTRS1991

Determinants of the mechanical properties of bones

The mechanical properties of bones are governed by the same principles as those of man-made load-bearing structures, but the organism is able to adapt its bone structure to changes in skeletal loading. In this overview of the determinants of the strength and stiffness of bone, a continuum approach has been taken, in which the behavior of a macroscopic structure depends on its shape and size, and on the mechanical properties of the material within. The latter are assumed to depend on the composition (porosity and mineralization) and organization (trabecular or cortical bone architecture, collagen fiber orientation, fatigue damage) of the bone. The effects of each of these factors are reviewed. Also, the possible means of non-invasively estimating the strength or other mechanical properties of a bone are reviewed, including quantitative computed tomography, photon absorptiometry, and ultrasonic measurements. The best estimates of strength have been obtained with photon absorptiometry and computed tomography, which at best are capable of accounting for 90% of the strength variability in a simple in vitro test, but results from different laboratories have been highly variable.

Non-NASA Center↗
NASA NTRS2018

Determination of Ballistic Limit for IM7/8552 Using LS-DYNA MAT 261

The goal of the NASA ACC High Energy Dynamic Impact Project is to determine the state of the art of dynamic fracture simulations for high velocity impact for composite fuselage shielding applications. Using a building block approach, several computational models considered under NASA ACC are being validated against test data, starting at unconfigured panels and progressing to configured panels under combined out-of-plane and in-plane loading due to ballistic impact. The computational models being evaluated in this project include MAT 162, MAT 213, MAT 261, SPG, and Peridynamics. In this paper, the simulation results using LS-Dyna Material MAT 261 are presented. In particular, a series of blind predictions for unconfigured panels were performed to determine the ballistic limit or V50 velocity. MAT 261 employs failure approach that is generally physically-based using fracture toughness criteria. The overall material model relies on typical ply-level stiffness properties, similar to MAT 162 and other composite continuum damage material models. The fracture toughness values are based on standard tests, and thus are not subject to extensive calibration. This approach is more efficient than performing extensive optimization studies for calibration of parameters. Also, this approach of relying on physical properties reduces the uncertainty of results, as questions concerning the quality and extent of the calibration studies is no longer relevant. However, it was found that carefully controlled coupon-level tests are needed to accurately obtain the required fracture toughness values. Additionally, it should be noted that there is one significant parameter in MAT 261 that does appear to require calibration, and that is the overall failure strain. This is the strain at which the element is deleted, and is not the same as the strain at which damage begins to accumulate. This failure strain is termed EFS (Effective Failure Strain), and is the maximum effective stain for element failure. Simulations have shown that this value will significantly affect impact response and failure. The paper presents the effect of this element failure strain parameter, along with possible uncertainties in fracture toughness values. With an adjusted appropriate value for EFS, it is seen that simulation results compare well with impact test data for predicted penetration velocity.

Byar, Alan↗
DOE OSTI2023

Effects of surface vacancy-adatom pair formation on PFC tungsten surface morphological response

Abstract We report a simulation study of the effect of He-irradiation-induced surface vacancy-adatom pair formation on the surface morphological evolution of plasma-facing component (PFC) tungsten and examine a number of factors that impact such evolution. Our analysis is based on self-consistent dynamical simulations according to an atomistically-informed, continuum-scale surface evolution model that has been developed following a hierarchical multiscale modeling strategy and can access the spatiotemporal scales of relevance to fuzz formation. The model accounts for the flux of surface adatoms generated as a result of the surface vacancy-adatom pair formation effect upon He implantation, which contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. We have carried out atomic-scale computations of optimal diffusion pathways along and across island step edges on the W(110) surface and calculated Ehrlich–Schwoebel (ES) barriers in adatom diffusion along and across such step edges. This aspect of surface adatom diffusion contributes to anisotropic surface atomic fluxes, terrace and step diffusive currents, and has been incorporated into our PFC surface evolution model, which predicts the formation of preferentially aligned nanoridge stripe patterns on the PFC surface. We establish that these anisotropic diffusive currents accelerate nanotendril growth on the PFC surface and the onset of surface nanostructure pattern formation. We also explore systematically the dependence of the PFC surface morphological response on the surface temperature and He ion incident flux, characterize in detail the resulting surface topographies and growth kinetics, and compare the predicted surface morphologies with experimental observations. Our simulation predictions for the emerging surface nanostructure patterns under certain plasma exposure conditions are consistent with experimental findings in the literature.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Interpretation of the prominence differential emissions measure for 3 geometries

Researchers have used prominence extreme ultraviolet line intensities observed from Skylab to derive the differential emission measure Q(T) in the prominence-corona (PC) interface from 3 x 10,000 to 3 times 1 million K, including the effects of Lyman Continuum absorption. Using lines both shortward and longward of the Lyman limit, researchers have estimated the importance of absorption as function of temperature. The magnitude of the absorption, as well as its rate of increase as a function of temperature, place limits on the thread scales and the character of the interfilar medium. Researchers have calculated models based on three assumed geometries: (1) threads with hot sheaths and cool cores; (2) isothermal threads; and (3) threads with longitudinal temperature gradients along the magnetic field. Comparison of the absorption computed from these models with the observed absorption in prominences shows that none of the geometries is totally satisfactory.

Schmahl, E. J.↗
NASA NTRS1997

Multiwavelength Modeling of Nova Atmospheres

We have analyzed the early optically thick ultraviolet spectra of Nova OS And 1986 using a grid of spherically symmetric, non-LTE, line-blanketed, expanding model atmospheres and synthetic spectra with the following set of parameters: 5,000 less than or equal to T(sub model) less than or equal to 60,000K, solar abundances, (rho)(alpha) r(sup -3), v(sub max) = 2000 km/s, L = 6 x 10(exp 4) solar luminosity, and a statistical or microturbulent velocity of 50 km/s. We used the synthetic spectra to estimate the model parameters corresponding to the observed IUE spectra. The fits to the observations were then iteratively improved by changing the parameters of the model atmospheres, in particular T(sub model) and the abundances, to arrive at the best fits to the optically thick pseudo-continuum and the features found in the IUE spectra. The IUE spectra show two different optically thick subphases. The earliest spectra, taken a few days after maximum optical light, show a pseudo-continuum created by overlapping absorption lines. The later observations, taken approximately 3 weeks after maximum light, show the simultaneous presence of allowed, semi-forbidden, and forbidden lines in the observed spectra. Analysis of these phases indicate that OS And 86 had solar metallicities except for Mg which showed evidence of being underabundant by as much as a factor of 10. We determine a distance of 5.1 kpc to OS And 86 and derive a peak bolometric luminosity of approximately 5 x 10(exp 4) solar luminosity. The computed nova parameters provide insights into the physics of the early outburst and explain the spectra seen by IUE. Lastly, we find evidence in the later observations for large non-LTE effects of Fe II which, when included, lead to much better agreement with the observations.

Hauschildt, P. H.↗
NASA NTRS2019

Benchmarking Mixed Mode Failure in Progressive Damage and Failure Analysis Methods

The verification and validation of progressive-damage-analysis finite element methods are difficult but critical tasks to undertake during their development. Verification exercises assess whether a predictive analysis tool produces results that are consistent with the fundamental concepts and assumptions of the tool under evaluation. Ideally, closed-form analytical solutions can be derived for which method verification results can be compared. Problems selected for computational tool verification are often simple and isolate individual features of the tool. In the case of progressive damage finite element methods, verifications should be performed to evaluate the ability of the model to predict the initiation of damage and its growth through the finite element mesh under a variety of conditions. Mabson et al. proposed a test case of a unidirectional, fiber-reinforced plate with a center crack subjected to tensile loads to evaluate matrix crack propagation predictions. The problem was modeled using the Abaqus Hashin continuum damage mechanics (CDM) model for fiber-reinforced composites. Different combinations of matrix strengths and element sizes were used in the simulations, and the results were compared to a closed-form solution based on linear elastic fracture mechanics (LEFM). It was determined that the Abaqus CDM model could predict the LEFM solution of Mode I cracks only when the finite element mesh density met specific requirements based on the material properties. This paper presents closed-form LEFM solutions for a center notch mixed mode (CNMM) verification problem. Parametric finite element analyses were developed using progressive damage analysis methods of both the Discrete Damage Mechanics (DDM) and CDM classes. The progressive damage analysis methods applied in the analyses of the CNMM problem include CompDam and the Floating Node Method. Analyses were conducted with various mode mixities and element sizes to verify that the damage models were working as intended and to identify any limits of applicability.

Leone, Frank↗