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All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Completing the evolution of supernova remnants and their bubbles

The filling fraction of hot gas in the ISM is reexamined with new calculations of the very long term evolution of SNRs and their fossil hot bubbles. Results are presented of a 1D numerical solution of the evolution of an SNR in a homogeneous medium with a nonthermal pressure corresponding to a 5-micro-G magnetic field and density of 0.2/cu cm. Comparison is made with a control simulation having no magnetic field pressure. It is found that the evolutions, once they have become radiative, differ in several significant ways, while both differ appreciably from qualitative pictures presented in the past. Over most of the evolution of either case, the hot bubble in the interior occupies only a small fraction of the shocked volume, the remainder in a thick shell of slightly compressed material. Column densities and radial distributions of O VI, N V, C IV, and Si IV as well as examples of absorption profiles for their strong UV lines are presented.

Slavin, Jonathan D.↗
NASA NTRS1992

Unsteady Shear Disturbances Within a Two Dimensional Stratified Flow

The origin and evolution of shear disturbances within a stratified, inviscid, incompressible flow are investigated numerically by a Clebsch/Weber decomposition based scheme. In contrast to homogeneous flows, within which vorticity can be redistributed but not generated, the presence of a density stratification can render an otherwise irrotational flow vortical. In this work, a kinematic decomposition of the unsteady Euler equations separates the unsteady velocity field into rotational and irrotational components. The subsequent evolution of these components is used to study the influence various velocity disturbances have on both stratified and homogeneous flows. In particular, the flow within a two-dimensional channel is used to investigate the evolution of rotational disturbances, generated or convected, downstream from an unsteady inflow condition. Contrasting simulations of both stratified and homogeneous flows are used to distinguish between redistributed inflow vorticity and that which is generated by a density stratification.

Yokota, Jeffrey W.↗
NASA NTRS1992

Simulation of space measurements of vegetation canopy bidirectional reflectance factors

A vegetation canopy receives both monodirectional and scattered radiation which is then reflected back into the atmosphere according to its bidirectional reflectance distribution function (BRDF). Remote measurements are typically the angular and spectral distributions of radiations exiting the atmosphere. The evaluation of vegetation canopy bidirectional reflectance factors requires a numerical solution of the canopy radiative transfer equation. A horizontally homogeneous vegetation canopy, of finite physical depth, filled densely with small leaves and bounded by a flat Lambertian ground surface is considered. The canopy is illuminated spatially uniformly by monodirectional radiation. The scattered intensity distribution emerging at the top of the canopy in all directions in the upper hemisphere is evaluated. The magnitude, sign and angular distribution of atmospheric effects are wavelength specific and depend on the composition of the atmosphere. The net atmospheric effect is positive (negative) at the red (near-infrared) wavelength due to strong scattering (absorption) in the atmosphere. The angular distribution of these effects is bowl-shaped. Thus, off-nadir remote observations, especially at shorter wavelengths, are most affected by atmospheric perturbations.

Myneni, R. B.↗
NASA NTRS1992

Investigation of the dilatational dissipation in compressible homogeneous shear flow

The dilatational dissipation rate within compressible homogeneous turbulent shear flow is studied using data from direct numerical simulations. It is found that the dilatational dissipation rate is mainly associated with large scale acoustic waves. Eddy shocklets are observed; however, they have little contribution to the average dissipation rate. A mechanism for the generation of eddy shocklets is shown to be the focusing of acoustic waves. Turbulence models for the dilatational dissipation rate are compared with data from the simulations. It is found that the formulation of Zeman used by Viegas & Rubesin to calculate a compressible mixing layer agrees well with the numerical simulation results for turbulent Mach numbers less than 0.3. However, it is also found that, for the Mach number range occurring in mixing layers, the model does not accurately represent the theory upon which it is based.

Blaisdell, G. A.↗
NASA NTRS2010

NASA-JSC Protocol for the Characterization of Single Wall Carbon Nanotube Material Quality

It is well known that the raw as well as purified single wall carbon nanotube (SWCNT) material always contain certain amount of impurities of varying composition (mostly metal catalyst and non-tubular carbon). Particular purification method also creates defects and/or functional groups in the SWCNT material and therefore affects the its dispersability in solvents (important to subsequent application development). A number of analytical characterization tools have been used successfully in the past years to assess various properties of nanotube materials, but lack of standards makes it difficult to compare these measurements across the board. In this work we report the protocol developed at NASA-JSC which standardizes measurements using TEM, SEM, TGA, Raman and UV-Vis-NIR absorption techniques. Numerical measures are established for parameters such as metal content, homogeneity, thermal stability and dispersability, to allow easy comparison of SWCNT materials. We will also report on the recent progress in quantitative measurement of non-tubular carbon impurities and a possible purity standard for SWCNT materials.

Arepalli, Sivaram↗
DOE OSTI2020

Calculation of Hydraulic Conductivity for a Porous Medium with Staggered Array of Solid Grains - 20087

For a porous medium with periodic array of solid grains. the flow of an incompressible viscous fluid in the pore space is considered with an aim of calculating the permeability of the medium. The solid grains are of ellipsoidal shape. For this purpose, a unit-cell boundary-value problem (Stokes problem) is solved numerically. With the assumption of periodicity of the medium structure and the fluid properties (in fact constant), the flow field and pressure distributions are determined numerically with inertial effects ignored. By applying the theory of homogenization to the viscous flow through pore space, a microscale boundary-value problem is defined. After solving the problem, the permeability is determined by taking the micro-cell average of the velocity components, Various porous structures are chosen to allow a wide range of porosity values. The permeability increases mildly for porosity values in the lower range. But it increases sharply for porosity values in the upper range of the porosity. The permeability of the present study agrees with the Kozeny-Carman relation excellently for smaller porosity. Certain discrepancy between the calculated permeability in this study and the Kozeny-Carman relation appears and increases with porosity for larger porosity. It is believed that the discrepancy is due to the replacement of the pores by a bundle of capillaries, which is unrealistic, in the Kozeny-Carman relation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Investigation of finite-volume methods to capture shocks and turbulence spectra in compressible flows

The aim of the present paper is to provide a comparison between several finite-volume methods of different numerical accuracy: the second-order Godunov method with PPM interpolation and the high-order finite-volume WENO method. In this work, the results show that while on a smooth problem the high-order method performs better than the second-order one, when the solution contains a shock all the methods collapse to first-order accuracy. In the context of the decay of compressible homogeneous isotropic turbulence with shocklets, the actual overall order of accuracy of the methods reduces to second-order, despite the use of fifth-order reconstruction schemes at cell interfaces. Most important, results in terms of turbulent spectra are similar regardless of the numerical methods employed, except that the PPM method fails to provide an accurate representation in the high-frequency range of the spectra. It is found that this specific issue comes from the slope-limiting procedure and a novel hybrid PPM/WENO method is developed that has the ability to capture the turbulent spectra with the accuracy of a high-order method, but at the cost of the second-order Godunov method. Overall, it is shown that virtually the same physical solution can be obtained much faster by refining a simulation with the second-order method and carefully chosen numerical procedures, rather than running a coarse high-order simulation. Our results demonstrate the importance of evaluating the accuracy of a numerical method in terms of its actual spectral dissipation and dispersion properties on mixed smooth/shock cases, rather than by the theoretical formal order of convergence rate.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Thermal conductivity of two-dimensional disordered fibrous materials defined by interfiber thermal contact conductance and intrinsic conductivity of fibers

A general framework for the theoretical analysis and numerical calculations of the effective thermal conductivity of two-dimensional homogeneous and isotropic disordered fibrous materials is developed in this work based on the model of random contacts between soft-core spherocylinders. The analysis accounts for the interfiber contact conductance and intrinsic conductivity of fibers and is performed in a wide space of governing parameters that includes the fiber aspect ratio, Biot number calculated for a single thermal contact between fibers, and material density ranging from values corresponding to the percolation threshold up to those characteristic of dense fiber networks. For dense networks, exact theoretical equations for the thermal conductivity of materials composed of spherocylinders with an arbitrary aspect ratio and Biot number are derived. The effect of the intrinsic conductivity of fibers on the thermal transport in fibrous materials is found to depend on the density of contacts and can be significant in sufficiently dense fiber networks even if the Biot number for a single thermal contact is small. Semiempirical corrections to the theoretical equations are derived for small and moderate fiber densities. The power law exponent describing the approximate dependence of the conductivity on the density parameter is found to vary from values close to 1 up to values exceeding 2 when evaluated within different finite ranges of the density parameter. This finding explains the variability of scaling laws for thermal conductivity of fibrous materials suggested in the literature based on numerical simulations performed in different regions of the space of material parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantum simulations of hydrodynamics via the Madelung transformation

Developing numerical methods to simulate efficiently nonlinear fluid dynamics on universal quantum computers is a challenging problem. In this paper, a generalization of the Madelung transform is defined to solve quantum relativistic charged fluid equations interacting with external electromagnetic forces via the Dirac equation. The Dirac equation is discretized into discrete-time quantum walks which can be efficiently implemented on universal quantum computers. A variant of this algorithm is proposed to implement simulations using current noisy intermediate scale quantum (NISQ) devices in the case of homogeneous external forces. High resolution (up to N=2 17 grid points) numerical simulations of relativistic and nonrelativistic hydrodynamical shocks on current IBM NISQs are performed with this algorithm. Here, this paper demonstrates that fluid dynamics can be simulated on NISQs, and opens the door to simulating other fluids, including plasmas, with more general quantum walks and quantum automata.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

Numerical Schemes for the Hamilton-Jacobi and Level Set Equations on Triangulated Domains

Borrowing from techniques developed for conservation law equations, numerical schemes which discretize the Hamilton-Jacobi (H-J), level set, and Eikonal equations on triangulated domains are presented. The first scheme is a provably monotone discretization for certain forms of the H-J equations. Unfortunately, the basic scheme lacks proper Lipschitz continuity of the numerical Hamiltonian. By employing a virtual edge flipping technique, Lipschitz continuity of the numerical flux is restored on acute triangulations. Next, schemes are introduced and developed based on the weaker concept of positive coefficient approximations for homogeneous Hamiltonians. These schemes possess a discrete maximum principle on arbitrary triangulations and naturally exhibit proper Lipschitz continuity of the numerical Hamiltonian. Finally, a class of Petrov-Galerkin approximations are considered. These schemes are stabilized via a least-squares bilinear form. The Petrov-Galerkin schemes do not possess a discrete maximum principle but generalize to high order accuracy.

Barth, Timothy J.↗
NASA NTRSDate not supplied

Construction of an Exact Pressure-Equilibrium Scheme for the Five-Equation Two-Phase Flow Model With Thermal Relaxation

Numerical simulation of compressible multiphase flows based on the four-equation (homogeneous relaxation) model is known to suffer from two fundamental difficulties with (a) wave propagation and (b) pressure equilibrium preservation. First, the mixture sound speed exhibits non-monotonic dependency with respect to the volume fraction, which leads to robustness issues in the resolution of shocks and acoustic wave propagation across two-phase regions. This difficulty can be mitigated by solving Allaire’s five-equation model augmented with infinitely fast phasic temperature equilibrium, from which solutions of the four-equation model can be recovered. However, when temperature is non-uniform, this augmented five-equation formulation still fails to preserve pressure equilibrium across material interfaces. In this work, we propose a fully conservative numerical scheme that exactly preserves pressure equilibrium at the discrete level for the augmented five-equation model, for arbitrary initial distributions of temperature and volume fraction. Combined with the monotonic sound speed property of the five-equation formulation, the proposed pressure-equilibrium preserving scheme significantly improves robustness in the presence of strong multiphase interactions, including shock–interface interactions and advection of material interfaces.

ESG↗
DOE OSTI2020

Front propagation formulation for large eddy simulation of turbulent premixed flames

The front propagation formulation (FPF) for large eddy simulation (LES) of turbulent premixed flames is presented and discussed. The FPF method adopts a regularized Dirac delta function to minimize the spurious propagation of under-resolved filtered flame fronts in LES, while reproducing the reaction characteristics of premixed flame fronts. Here, the extension of the FPF method to LES and the relation to existing sub-filter combustion models are discussed. An algebraic model for the regularized Dirac delta function is presented and validated using direct numerical simulation (DNS) data for statistically planar premixed flames propagating in homogeneous isotropic turbulence. A posteriori validation for a filtered 1-D planar laminar flame is performed to demonstrate the characteristics of FPF in reproducing the propagation speed and the thickness of the under-resolved flame front. LES of a turbulent Bunsen flame is also performed to demonstrate the performance of the proposed method.

42 ENGINEERING↗
DOE OSTI2025

Modeling low cycle fatigue (LCF) of additively manufactured Hastelloy X using An accelerated crystal plasticity fatigue damage model

This paper presents a microstructure-based model for low cycle fatigue (LCF) behavior and life of Nickel-based alloy Hastelloy X manufactured using laser-powder bed fusion (L-PBF) additive manufacturing (AM). AM Hastelloy X, a solution-strengthened alloy, is tested at elevated temperature under fully reversed LCF conditions at different strain levels. A generalized plane strain finite element model is generated from electron backscatter diffraction (EBSD) characterization. The constitutive behavior of the material under fatigue is modeled using crystal plasticity and calibrated with both monotonic tensile and cyclic stress–strain data. The fatigue micro-crack initiation and propagation in the microstructure is modeled using a modified Chaboche fatigue damage model. An embedded boundary condition with a homogenous medium is used to apply the cyclic deformation and prevent numerically introduced over-constraints during fatigue simulation. A ‘cycle-jump’ method is used to accelerate the fatigue simulation and reduce the computational cost. The simulation results are compared to LCF experiments, showing satisfactory matches in cyclic stress behavior and number of cycles to macro-crack initiation for all applied strain ranges. In addition, the model illustrates the potential for quantifying microscale fatigue life impacting factors such as microstructure and surface roughness, which is needed to accurately quantify the reliability of AM components in service.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fossil records of early solar irradiation and cosmolocation of the CAI factory: A reappraisal

Calcium-aluminum–rich inclusions (CAIs) in meteorites carry crucial information about the environmental conditions of the nascent Solar System prior to planet formation. Based on models of 50V– 10 Be co-production by in-situ irradiation, CAIs are considered to have formed within ~0.1 AU from the proto-Sun. Here, we present vanadium (V) and strontium (Sr) isotopic co-variations in fine- and coarse-grained CAIs and demonstrate that kinetic isotope effects during partial condensation and evaporation best explain V isotope anomalies previously attributed to solar particle irradiation. We also report initial excesses of 10 Be and argue that CV CAIs possess essentially a homogeneous level of 10 Be, inherited during their formation. Based on numerical modeling of 50V–10Be co-production by irradiation, we show that CAI formation during protoplanetary disk build-up likely occurred at greater heliocentric distances than previously considered, up to planet-forming regions (~1AU), where solar particle fluxes were sufficiently low to avoid substantial in-situ irradiation of CAIs.

58 GEOSCIENCES↗
NASA NTRS1974

Nonstationary homogeneous nucleation

The theory of homogeneous condensation is reviewed and equations describing this process are presented. Numerical computer solutions to transient problems in nucleation (relaxation to steady state) are presented and compared to a prior computation.

Harstad, K. G.↗
NASA NTRS1975

Panel flutter optimization by gradient projection

A gradient projection optimal control algorithm incorporating conjugate gradient directions of search is described and applied to several minimum weight panel design problems subject to a flutter speed constraint. New numerical solutions are obtained for both simply-supported and clamped homogeneous panels of infinite span for various levels of inplane loading and minimum thickness. The minimum thickness inequality constraint is enforced by a simple transformation of variables.

Pierson, B. L.↗
NASA NTRS1985

Preparation for microgravity science investigation of compound semiconductor crystal growth

Preparatory work on Bridgman directional solidification (BDS) of PbSnTe crystals prior to microgravity crystal growth experiments on Shuttle flights are reported. Gravitational effects become important in crystal growth when density gradients are present. The situation is critical in BDS of PbSnTe because of the necessity of obtaining homogeneous compositional distributions, which can be disturbed when convective processes occur. Numerical models have been defined which quantify the effects of convection in the crystal growth solution. The models were verified by earth-based crystal-growth tests in a two-zone furnace using equal concentrations of each of the elements. Data are provided to demonstrate the differences in composition among crystals grown at different orientations to the gravitational field vector.

Fripp, A. L.↗
NASA NTRS1989

The structure of pressure fluctuations in turbulent shear flows

Pressure fluctuations in a turbulent channel and a homogeneous shear flows are investigated by analyzing databases obtained from direct numerical simulations. Detailed statistics associated with the pressure fluctuations in both flows are discussed. Characteristics associated with the rapid (linear) and slow (nonlinear) pressure are examined. The global dependence of the pressure fluctuations and pressure-strain correlations are also examined by evaluating the integral associated with Green's function representations of them.

Kim, John↗