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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Non-locality of mean scalar transport in two-dimensional Rayleigh–Taylor instability using the macroscopic forcing method

The importance of non-locality of mean scalar transport in two-dimensional Rayleigh–Taylor Instability (RTI) is investigated. The macroscopic forcing method is utilized to measure spatio-temporal moments of the eddy diffusivity kernel representing passive scalar transport in the ensemble averaged fields. Presented in this work are several studies assessing the importance of the higher-order moments of the eddy diffusivity, which contain information about non-locality, in models for RTI. First, it is demonstrated through a comparison of leading-order models that a purely local eddy diffusivity is insufficient to capture the mean field evolution of the mass fraction in RTI. Therefore, higher-order moments of the eddy diffusivity operator are not negligible. Models are then constructed by utilizing the measured higher-order moments. It is demonstrated that an explicit operator based on the Kramers–Moyal expansion of the eddy diffusivity kernel is insufficient. An implicit operator construction that matches the measured moments is shown to offer improvements relative to the local model in a converging fashion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Algorithms for the Fractional Calculus: A Selection of Numerical Methods

Many recently developed models in areas like viscoelasticity, electrochemistry, diffusion processes, etc. are formulated in terms of derivatives (and integrals) of fractional (non-integer) order. In this paper we present a collection of numerical algorithms for the solution of the various problems arising in this context. We believe that this will give the engineer the necessary tools required to work with fractional models in an efficient way.

Diethelm, K.↗
DOE OSTI2023

Self-consistent hopping theory of activated relaxation and diffusion of dilute penetrants in dense crosslinked polymer networks

We generalize a microscopic statistical mechanical theory of the activated dynamics of dilute spherical penetrants in glass-forming liquids to study the influence of crosslinking in polymer networks on the penetrant relaxation time and diffusivity over a wide range of temperature and crosslink fraction (f n ). Our calculations are relevant to recent experimental studies of a nm-sized molecule diffusing in poly-(n-butyl methacrylate) networks. The theory predicts the penetrant relaxation time increases exponentially with the glass transition temperature, T g (f n ), which grows roughly linearly with the square root of fn due to the coupling of local hopping to longer-range collective elasticity. Moreover, T g is also found to be proportional to a geometric confinement parameter defined as the ratio of the penetrant diameter to the mean network mesh size. The decoupling ratio of the penetrant and Kuhn segment alpha times displays a complex non-monotonic dependence on f n and temperature that is well collapsed based on the variable T g (f n )/T. A model for the penetrant diffusion constant that combines activated relaxation and entropic mesh confinement is proposed, which results in a significantly stronger suppression of mass transport with degree of effective supercooling than predicted for the penetrant alpha time. Furthermore, this behavior corresponds to a new network-based type of “decoupling” of diffusion and relaxation. In contrast to the diffusion of larger nanoparticles in high temperature rubbery networks, our analysis in the supercooled regime suggests that for the penetrants studied the mesh confinement effects are of secondary importance relative to the consequences of crosslink-induced slowing down of activated hopping of glassy physics origin.

Chemistry↗
DOE OSTI2022

Assessment of diffuse-interface methods for compressible multiphase fluid flows and elastic-plastic deformation in solids

This work describes three diffuse-interface methods for the simulation of immiscible, compressible multiphase fluid flows and elastic-plastic deformation in solids. The first method is the localized-artificial-diffusivity approach of Cook, Subramaniam et al., and Adler and Lele, in which artificial diffusion terms are added to the individual phase mass fraction transport equations and are coupled with the other conservation equations. The second method is the gradient-form approach that is based on the quasi-conservative method of Shukla et al., in which the diffusion and sharpening terms (together called regularization terms) are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. The third approach is the divergence-form approach that is based on the fully conservative method of Jain et al., in which the regularization terms are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. In the present study, all three diffuse-interface methods are used in conjunction with a four-equation, multicomponent mixture model, in which pressure and temperature equilibria are assumed among the various phases. The primary objective of this work is to compare these three methods in terms of their ability to: maintain constant interface thickness throughout the simulation; conserve mass, momentum, and energy; and maintain accurate interface shape for long-time integration. The second objective of this work is to consistently extend these methods to model interfaces between solid materials with strength. To assess and compare the methods, they are used to simulate a wide variety of problems, including (1) advection of an air bubble in water, (2) shock interaction with a helium bubble in air, (3) shock interaction and the collapse of an air bubble in water, and (4) Richtmyer–Meshkov instability of a copper–aluminum interface. The current work focuses on comparing these methods in the limit of relatively coarse grid resolution, which illustrates the true performance of these methods. In conclusion, this is because it is rarely practical to use hundreds of grid points to resolve a single bubble or drop in large-scale simulations of engineering interest.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Numerical solution of the problem of flame propagation by the use of the random element method

A numerical, grid-free algorithm is presented for one-dimensional reaction-diffusion model of laminar flame propagation in premixed gases. It is based on the random element method we developed for the analysis of diffusional processes. The effect of combustion is taken into account by applying the principle of fractional steps to separate the process of diffusion, modeled by the random walk of computational elements, from the exothermic effects of chemical reaction, monitoring their strength. The validity of the algorithm is demonstrated by application to flame propagation problems for which exact solutions exist. The flame speed evaluated by its use oscillates around the exact value at a relatively small amplitude, while the temperature and species concentration profiles are self-correcting in their convergence to the exact solution. A satisfactory resolution is obtained by the use of quite a small number of computational elements which automatically adjust their distribution of fit sharp gradients.

Ghoniem, A. F.↗
DOE OSTI2022

Effect of sucrose on the oxidation-reduction conditions and retention of rhenium during vitrification of low-activity waste

Technetium speciation and solubility during nuclear waste vitrification are affected by oxygen partial pressure in the melt. Thus, reducing agents such as sucrose, which are routinely added to nuclear waste feeds to repress foaming, can significantly affect the volatilization of Tc and increase its retention in glass. Using Re as a surrogate for Tc, we measured the effect of sucrose addition to two low-activity waste melter feeds on the Re retention, oxygen partial pressure, and iron redox as functions of temperature. As expected, Re retention in glass increased as the sucrose content increased. Furthermore, this is attributed to sucrose reaction with nitrates and nitrites in the feed. Destruction of nitrates and nitrites reduces the salt phase fraction and thus likely promotes Re diffusion into the glass-forming melt. In agreement with available literature, we discuss that a modest increase in the sucrose content (compared to current practice) can significantly improve the Tc retention without reducing Fe 2+ to metal.

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

Affine Approximation of Parametrized Kernels and Model Order Reduction for Nonlocal and Fractional Laplace Models

In this work, we consider parametrized problems driven by spatially nonlocal integral operators with parameter-dependent kernels. In particular, kernels with varying nonlocal interaction radius $\delta > 0$ and fractional Laplace kernels, parametrized by the fractional power $s\in(0,1)$, are studied. Furthermore, in order to provide an efficient and reliable approximation of the solution for different values of the parameters, we develop the reduced basis method as a parametric model order reduction approach. Major difficulties arise since the kernels are not affine in the parameters, singular, and discontinuous. Moreover, the spatial regularity of the solutions depends on the varying fractional power $s$. To address this, we derive regularity and differentiability results with respect to $\delta$ and $s$, which are of independent interest for other applications such as optimization and parameter identification. We then use these results to construct affine approximations of the kernels by local polynomials. Finally, we certify the method by providing reliable a posteriori error estimators, which account for all approximation errors, and support the theoretical findings by numerical experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Predictive Integrated Modeling of Heated Tokamak Plasmas (Final Technical Report)

The research carried out by the Lehigh University fusion group during this reporting period: (1) Self-consistent predictive core-pedestal ITER scenario modeling; (2) Microtearing instabilities and electron thermal transport in standard and spherical tokamak discharges; (3) Neural network model of the Multi-Mode anomalous transport module; (4) Anomalous transport in KSTAR, JET, EAST, Alcator C-Mod and DIII-D discharges; (5) Theory for transport in magnetized plasmas; (6) Control-oriented modeling of the q-profile dynamic response in preparation for advanced scenario control in KSTAR and in EAST; (7) Modeling of edge harmonic oscillation in DIII-D QH mode discharges; (8) Elucidating plasma dynamics in Hasegawa-Wakatani turbulence by information geometry; (9) Non-linear Langevin and Fractional Fokker–Planck equations for anomalous diffusion by Levy stable processes; and (10) Investigation of the plasma shaping effects on the H-mode pedestal structure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Analysis of Tempered Fractional Operators

Tempered fractional operators are useful in models for subsurface transport and diffusion due to their ability to capture anomalous diffusion: a behavior which the classical partial differential equation models cannot describe. We analyze tempered fractional operators within the nonlocal vector calculus framework in order to assimilate them to the rigorous mathematical structure developed for nonlocal models. First, we show they are special instances of generalized nonlocal operators in correspondence of a proper choice of nonlocal kernels. Then, we work towards showing tempered fractional operators are equivalent to truncated fractional operators. These truncated operators are useful because they are less computationally intensive than the tempered operators.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

A study of galaxy groups and clusters - The case for a clumpy intergalactic medium.

A nonuniform model for a dense intergalactic medium is constructed under the assumption that all groups and clusters of galaxies are gravitationally bound by ionized gas. Catalogs by de Vaucouleurs and Abell are utilized to provide an almost complete sample of the spatial distribution of groups and clusters over a wide range of richness, and a distribution function is derived for galaxy groups and clusters as a function of velocity dispersion. A simple scaling law is applied to predict velocity dispersions for the very rich Abell clusters. Thermal bremsstrahlung emission from the intracluster gas accounts for the observed emission over 2 to 10 keV from several rich clusters, and also contributes up to 20% of the diffuse X-ray background over a considerable fraction of the observed range. The amount of X-ray emitting gas is restricted to a small fraction of the virial mass, with the remainder of the binding mass present as cooler ionized clouds. Available soft X-ray and ultraviolet diffuse background observations are used to define a narrow range of permissible temperatures and densities for these clouds.

Silk, J.↗
NASA NTRS1978

The formation of molecules in interstellar clouds from singly and multiply ionized atoms

The suggestion is considered that multiply ionized atoms produced by K- and L-shell X-ray ionization and cosmic-ray ionization can undergo ion-molecule reactions and also initiate molecule production. The role of X-rays in molecule production in general is discussed, and the contribution to molecule production of the C(+) radiative association with hydrogen is examined. Such gas-phase reactions of singly and multiply ionized atoms are used to calculate molecular abundances of carbon-, nitrogen-, and oxygen-bearing species. The column densities of the molecules are evaluated on the basis of a modified version of previously developed isobaric cloud models. It is found that reactions of multiply ionized carbon with H2 can contribute a significant fraction of the observed CH in diffuse interstellar clouds in the presence of diffuse X-ray structures or discrete X-ray sources and that substantial amounts of CH(+) can be produced under certain conditions.

Langer, W. D.↗
NASA NTRS1987

The abundance of interstellar CO

Data from recent observations of interstellar CO column densities are compiled in tables and graphs and compared with the predictions of theoretical models. The energy-level structure of CO and the excitation of interstellar CO are discussed; UV-absorption and IR line observations are characterized; and techniques used to estimate the CO column density from mm-wavelength observations (based on calibration of the CO line intensity with the column density of H2) are described in detail. Consideration is then given to CO chemistry under interstellar-cloud conditions (isotope fractionation and photodissociation) and models for diffuse, translucent, and dense clouds. A number of unsolved problems requiring additional observations or laboratory investigations are identified.

Van Dishoeck, Ewine F.↗
NASA NTRS1996

Laser-induced incandescence calibration via gravimetric sampling

Absolute calibration of laser-induced incandescence (LII) is demonstrated via comparison of LII signal intensities with gravimetrically determined soot volume fractions. This calibration technique does not rely upon calculated or measured optical characteristics of soot. The variation of the LII signal with gravimetrically measured soot volume fractions ranging from 0.078 to 1.1 ppm established the linearly of the calibration. With the high spatial and temporal resolution capabilities of laser-induced incandescence (LII), the spatial and temporal fluctuations of the soot field within a gravimetric chimney were characterized. Radial uniformity of the soot volume fraction, f(sub v) was demonstrated with sufficient averaging of the single laser-shot LII images of the soot field thus confirming the validity of the calibration method for imaging applications. As illustration, instantaneous soot volume fractions within a Re = 5000 ethylene/air diffusion flame measured via planar LII were established quantitatively with this calibration.

Choi, M. Y.↗
NASA NTRS2000

Chandra Observations of M31 and their Implications for its ISM

As part of the Chandra X-ray Observatory's Survey/Monitoring Program of M31, we have been regularly observing the bulge amd inner disk of M31 for nearly 1 year, using both the HRC and ACIS Instruments. We present results from our program th it are of interest to the study of the ISM in M31. In particular, spectral analysis of bright, unresolved x-ray sources in the bulge reveals the presence of significant local x-ray extinction (N(sub H) is about 2 x 10(exp 21)/square cm), and we will attempt to map out this extinction, Further, we find that diffuse emission accounts for a significant fraction of the overall x-ray flux from the bulge. Finally, our search for x-ray counterparts to supernova remnants in M31 yields surprisingly few candidates.

Primini, F.↗
NASA NTRS2010

Irradiation of FeS: Implications for the Lifecycle of Sulfur in the Interstellar Medium and Presolar FeS Grains

Fe(Ni) sulfides are ubiquitous in chondritic meteorites and cometary samples where they are the dominant host of sulfur. Despite their abundance in these early solar system materials, their presence in interstellar and circumstellar environments is poorly understood. Fe-sulfides have been reported from astronomical observations of pre- and post-main sequence stars [1, 2] and occur as inclusions in bonafide circumstellar silicate grains [3, 4]. In cold, dense molecular cloud (MC) environments, sulfur is highly depleted from the gas phase [e.g. 5], yet observations of sulfur-bearing molecules in dense cores find a total abundance that is only a small fraction of the sulfur seen in diffuse regions [6], therefore the bulk of the depletion must reside in an abundant unobserved phase. In stark contrast, sulfur is essentially undepleted from the gas phase in the diffuse interstellar medium (ISM) [7-9], indicating that little sulfur is incorporated into solid grains in this environment. This is a rather puzzling observation unless Fe-sulfides are not produced in significant quantities in stellar outflows, or their lifetime in the ISM is very short due to rapid destruction. The main destruction mechanism is sputtering due to supernova shocks in the warm, diffuse ISM [10]. This process involves the reduction of Fe-sulfide with the production of Fe metal as a by-product and returning S to the gas phase. In order to test this hypothesis, we irradiated FeS and analyzed the resulting material using X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM).

Keller, Lindsay P.↗
DOE OSTI2025

An extension of the localized artificial diffusivity method for immiscible and high density ratio flows

The localized artificial diffusivity (LAD) method is widely regarded as the preferred multi-material regularization scheme for the compact finite difference method, because it is conservative, easy to implement, and generally robust for a wide range of multi-material problems. However, traditional LAD methods face significant challenges when applied to flows with large density ratios and when maintaining thermodynamic equilibrium across material interfaces. These limitations arise from the formulation of the artificial diffusivity flux and the reliance on enthalpy diffusion for interface regularization. Additionally, traditional LAD methods struggle to ensure stability under large density ratio conditions, fail to maintain a finite interface thickness, and are therefore unsuitable for modeling immiscible interfaces. Here, in this work, we discuss the origins of these issues in traditional LAD methods and propose modifications which enable the simulation of large density ratio and immiscible flows. The proposed method targets the artificial diffusion fluxes at gradients and ringing in the volume fraction, rather than the mass fraction in traditional methods, to consistently regularize large density ratio interfaces. Furthermore, the proposed method introduces an artificial bulk density diffusion term to enforce equilibrium conditions across interfaces. To address the challenge of modeling immiscible flows, a conservative diffuse interface term is incorporated into the formulation to ensure a finite interface thickness. Specific consideration is taken in the design of the method to ensure that these crucial properties are maintained for N -material flows. The effectiveness of the proposed method is demonstrated through a series of canonical test cases, and its accuracy is validated by comparison with experimental data on micro-bubble collapse in water. These results highlight the method’s robustness and its ability to overcome the limitations of traditional LAD approaches.

Artificial diffusivity↗
NASA NTRS1993

Diffuse gamma-ray emission from pulsars in the Large Magellanic Cloud

We investigate the contribution of pulsars to the diffuse gamma-ray emission from the LMC. The pulsar birth rate in the LMC is a factor of about 10 lower than that of the Galaxy and the distance to pulsars in the LMC is about 5-10 times larger than to Galactic pulsars. The resulting total integrated photon flux from LMC pulsars is thus reduced by a factor of about 100 to 1000. However, the surface brightness is not reduced by the same amount because of the much smaller angular extent of the LMC in comparison to the diffuse glow from the Galactic plane. We show that gamma-ray emission due to pulsars born in the LMC could produce gamma-ray fluxes that are larger than the inverse Compton component from relativistic cosmic-ray electrons and a significant fraction of the extragalactic isotropic background or the diffuse Galactic background in that direction. The diffuse pulsar glow above 100 MeV should therefore be included in models of high-energy emission from the LMC. For a gamma-ray beaming fraction of order unity the detected emissions from the LMC constrain the pulsar birth rate to less than one per 50 yr. This limit is about one order of magnitude above the supernova rate inferred from the historic record or from the star-formation rate.

Hartmann, Dieter H.↗
NASA NTRS1972

The effect of an isotopic non-equilibrium plasma on electron temperature measurements

Electron temperatures determined by electrostatic probe, diffuse resonance, and radar backscatter techniques in an isotropic two temperature plasma are presented. Plasma models corresponding to the addition of a minor component of energetic electrons, and models corresponding to a process that cools a fraction of the ionospheric electrons are considered. The diffuse resonance temperature is found to lie between the probe and radar backscatter temperatures. The isotropic models corresponding to the addition of energetic electrons cannot support the reported discrepancies between radio wave and probe electron temperature measurements. Temperature differences similar to the observed differences can be produced by models with a fraction of the electrons at a temperature cooler than that of the main component of electrons.

Benson, R. F.↗