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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 649 records · Page 36
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DOE OSTI2020

Two-way coupled particle-turbulence interaction: Effect of numerics and resolution on fluid and particle statistics

Euler-Lagrange point-particle simulation has emerged as a premier methodology for studying dispersed particle-laden flows. This method's popularity stems from its ability to resolve fine-scale fluid structures while also tracking individual particles at reduced cost using an appropriate particle acceleration model. However, the point-particle model has known convergence issues in that refinement of the fluid grid can lead to changes in the predicted statistics. The reasons for non-convergence are twofold: the point-particle two-way coupling force in the Navier-Stokes equations requires a numerical regularization and, without careful implementation, yields a singular force on the fluid with grid refinement. The second factor that yields grid-dependent statistics is that the point-particle force model in general depends on the undisturbed fluid velocity. When the undisturbed fluid velocity is not robustly modeled in a grid-insensitive way, the calculated force for both particles and fluid will be grid-dependent, contaminating their respective statistics. While the first issue regarding regularizing the point-particle source term has received attention in the literature, the consequences of robustly modeling the undisturbed velocity in the context of grid refinement of turbulence has received little attention. Here, we consider decaying homogeneous isotropic turbulence laden with particles at different Stokes numbers. For a given Stokes number, we systematically refine the grid and demonstrate that explicitly modeling the undisturbed fluid velocity yields relative grid insensitivity for the energy of the particle and fluid phases, as well as acceleration of the particles. We also demonstrate that an appropriately defined dissipation rate is also grid-insensitive when an undisturbed fluid velocity correction is used. In contrast, when the undisturbed fluid velocity is modeled using the conventional approach of interpolating the local fluid velocity to the particle location, we show this procedure yields divergent statistics with grid refinement. In particular, we show that higher-order interpolation of the fluid velocity in two-way coupled problems is worse than lower-order interpolation, in the absence of a correction procedure to estimate the undisturbed fluid velocity. We also examine velocity derivative statistics of the fluid phase and demonstrate that these statistics are not in general convergent even when the undisturbed fluid velocity is explicitly modeled. Collectively, the observations in this paper are used to present a philosophy on the types of questions which are answerable with point-particle methods.

42 ENGINEERING↗
DOE OSTI2017

Model's sparse representation based on reduced mixed GMsFE basis methods

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

STARLESS CLOUD CORE L1517B IN ENVELOPE EXPANSION WITH CORE COLLAPSE

Various spectral emission lines from the star-forming molecular cloud core L1517B manifest red asymmetric double-peaked profiles with stronger red peaks and weaker blue peaks, in contrast to the oft-observed blue-skewed molecular spectral line profiles with blue peaks stronger than red peaks. Invoking a spherically symmetric general polytropic hydrodynamic shock model for the envelope expansion with a core collapse (EECC) phase, we show the radial flow velocity, mass density, and temperature structures of a self-similar evolution for L1517B in a dynamically consistent manner. By prescribing simple radial profiles of abundance distribution for pertinent molecules, we perform molecular excitation and radiative transfer calculations using the publicly available RATRAN code set for the spherically symmetric case. Emphatically, the spectral profiles of line emissions from the same molecules but for different line transitions as well as spectra of closely pertinent isotopologues strongly constrain the self-similar hydrodynamics of a cloud core with prescribed abundances. Our computational results show that the EECC model reproduces molecular spectral line profiles in sensible agreement with the observational data of the Institut de Radioastronomie Millimetrique (IRAM), Five College Radio Astronomical Observatory, and Effelsberg 100 m telescopes for L1517B. We also report the spatially resolved observations of the optically thick line HCO{sup +}(1 - 0) using the Purple Mountain Observatory 13.7 m telescope at Delingha in China and the relevant fitting results. Hyperfine line structures of NH{sub 3} and N{sub 2}H{sup +} transitions are also fitted to consistently reveal the dynamics of the central core collapse. As a consistent model check, radial profiles of 1.2 mm and 850 {mu}m dust continua observed by the IRAM 30 m telescope and the Submillimeter Common-User Bolometer Array, respectively, are also fitted numerically using the same EECC model that produces the molecular line profiles. L1517B is likely undergoing an EECC shock phase. For future observational tests, we also predict several molecular line profiles with spatial distributions, the radial profile of the sub-millimeter continuum at wavelength 450 {mu}m, as well as the radial profiles of the column density and visual extinction for L1517B.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Numerical Simulation of Gas and Liquid Two-Phase Flow in the RH Process

A mathematical model has been established to simulate the gas–liquid two-phase flow in the RH process. The effects of interphase forces and the bubble-induced turbulence on the fluid flow and motion of gas bubbles were investigated. The interphase forces include the drag force, the virtual mass force, the lift force, and the pressure gradient force, respectively. The prediction results of the liquid velocity and the recirculation rate were compared with the experimental data measured with a Particle Image Velocimetry technique. The results indicated that the drag force and the virtual mass force dominated the gas plume shape in the up-leg snorkel, and significantly influenced the liquid velocity and the distribution of the gas phase. The lift force mainly affected the spreading of gas bubbles in the radial direction of the snorkel. However, the pressure gradient force could be neglected because it had no effect on the liquid velocity and the gas volume fraction. The increase of the bubble-induced turbulence decreased the liquid velocity, and by adjusting the lift force, it widened the shape of the individual gas plumes. To accurately simulate the gas–liquid flow behavior in the RH degasser, these appropriate parameters, such as the drag coefficient, the virtual mass coefficient, the lift coefficient, and the bubble-induced turbulence coefficient, were determined by comparing the predicted results and the measured data.

42 ENGINEERING↗
DOE OSTI2017

Electron Scattering by High-frequency Whistler Waves at Earth’s Bow Shock

Electrons are accelerated to non-thermal energies at shocks in space and astrophysical environments. While different mechanisms of electron acceleration have been proposed, it remains unclear how non-thermal electrons are produced out of the thermal plasma pool. Here, we report in situ evidence of pitch-angle scattering of non-thermal electrons by whistler waves at Earth’s bow shock. On 2015 November 4, the Magnetospheric Multiscale (MMS) mission crossed the bow shock with an Alfvén Mach number ∼11 and a shock angle ∼84°. In the ramp and overshoot regions, MMS revealed bursty enhancements of non-thermal (0.5–2 keV) electron flux, correlated with high-frequency (0.2–0.4 Ω{sub ce}, where Ω{sub ce} is the cyclotron frequency) parallel-propagating whistler waves. The electron velocity distribution (measured at 30 ms cadence) showed an enhanced gradient of phase-space density at and around the region where the electron velocity component parallel to the magnetic field matched the resonant energy inferred from the wave frequency range. The flux of 0.5 keV electrons (measured at 1 ms cadence) showed fluctuations with the same frequency. These features indicate that non-thermal electrons were pitch-angle scattered by cyclotron resonance with the high-frequency whistler waves. However, the precise role of the pitch-angle scattering by the higher-frequency whistler waves and possible nonlinear effects in the electron acceleration process remains unclear.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Impact of relative phase shift on inward turbulent spreading

The relative cross-phase between density, temperature, and potential perturbations plays a major role in turbulent spreading and transport. Nonlinear Landau-Fluid simulations show that the electron wave-particle resonances provide a relatively strong parallel damping effect on the electron temperature perturbation and can induce a relative cross-phase shift of smaller than π∕2 angle between E × B velocity and the electron temperature perturbation for large electron temperature gradient, which yields a large spreading for electron. The relative phase for ions is about π∕2 and has no turbulent spreading effect on it. The inward turbulent spreading stops at the position where the radial turbulent correlation length is shorter than the magnetic surface spacing. The temperature pedestal height determines the energy loss due to the turbulent spreading.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

On the statistical and transport properties of a non-dissipative Fermi-Ulam model

The transport and diffusion properties for the velocity of a Fermi-Ulam model were characterized using the decay rate of the survival probability. The system consists of an ensemble of non-interacting particles confined to move along and experience elastic collisions with two infinitely heavy walls. One is fixed, working as a returning mechanism of the colliding particles, while the other one moves periodically in time. The diffusion equation is solved, and the diffusion coefficient is numerically estimated by means of the averaged square velocity. Our results show remarkably good agreement of the theory and simulation for the chaotic sea below the first elliptic island in the phase space. From the decay rates of the survival probability, we obtained transport properties that can be extended to other nonlinear mappings, as well to billiard problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Excitation and evolution of finite-amplitude plasma wave

The evolution of a small spatially periodic perturbation in the electron velocity distribution function in collisionless plasma is reconsidered by numerically solving the Vlasov and Poisson equations. The short as well as long time behaviors of the excited oscillations and damping/modulation are followed. In the small but finite-amplitude excited plasma wave, resonant electrons become trapped in the wave potential wells and their motion affects the low-velocity electrons participating in the plasma oscillations, leading to modulation of the latter at an effective trapping frequency. It is found that the phase space of the resonant and low-velocity electrons becomes chaotic, but then self-organization takes place but remains fine-scale chaotic. It is also found that as long as particles are trapped, there is only modulation and no monotonic damping of the excited plasma wave. The modulation period/amplitude increases/decreases as the magnitude of the initial disturbance is reduced. For the initial and boundary conditions used here, linear Landau damping corresponds to the asymptotic limit of the modulation period becoming infinite, or no trapping of the resonant electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

REVISITING ACCELERATION OF CHARGED GRAINS IN MAGNETOHYDRODYNAMIC TURBULENCE

We study the acceleration of charged grains by magnetohydrodynamic (MHD) turbulence in the interstellar medium (ISM). We begin with revisiting gyroresonance acceleration by taking into account the fluctuations of grain guiding center along a uniform magnetic field (i.e., nonlinear theory-NLT). We calculate grain velocities due to gyroresonance by fast MHD modes using the NLT for different phases of the ISM and compare them with results obtained using quasi-linear theory (QLT). We find for the parameters applicable to the typical ISM phases that the fluctuations of the grain guiding center reduce grain velocities by less than 15%, but they can be important for more special circumstances. We confirm that large grains can be accelerated to super-Alfvenic velocities through gyroresonance. For such super-Alfvenic grains, we investigate the effect of further acceleration via transit-time damping (TTD) by fast modes. We find that due to the broadening of the resonance condition in the NLT, the TTD acceleration is not only important for the cosines of grain pitch angle relative to the magnetic field {mu} > V{sub A}/v, but also for {mu} < V{sub A}/v where v is the grain velocity and V{sub A} is the Alfven speed. We show that the TTD acceleration is dominant over the gyroresonance for large grains, and can increase substantially grain velocities induced by gyroresonance acceleration. We quantify another stochastic acceleration mechanism arising from low-frequency Alfven waves. We discuss the range of applicability of the mechanisms and their implications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The propagation of particulate gravity currents in a V-shaped triangular cross section channel: Lock-release experiments and shallow-water numerical simulations

In this study, we investigate the motion of particulate gravity currents in a horizontal V-shaped channel. The particulate currents consisted of particles whose size varied between 0 and 100 μm but whose mean size increased. Particles were poorly sorted as the variance of the grain size distributions varied between 50 and 200. While the phases of propagation of homogeneous currents in such a geometry have been studied in the literature, this study considers the effects of the grain size on the propagation. The distance of propagation and front velocity of full-depth high-Reynolds-number lock-release experiments and shallow-water equation simulations were analyzed as the mean grain size of the initial particle distributions, defined by mass, was increased from 19 to 58 μm. Similar to the homogeneous currents, three consecutive phases of the front velocity could be identified but their characteristics and extent depend on the particle size. The initial phase, in particular, depends on a dimensionless settling number β that is defined as the ratio of two characteristic time scales, the propagation time x{sub 0}/U, where U is the scale for the front speed and x{sub 0} the lock length, and the settling time h{sub 0}/v{sub s}, where v{sub s} is the scale for the settling velocity and h{sub 0} the initial height of the current. For dimensionless settling numbers less than 0.001, the initial phase is characterized by a constant velocity for over about 6-7 lock lengths that is alike the initial slumping phase of perfectly constant velocity of the homogeneous currents. For dimensionless settling numbers greater than 0.001 and less than 0.015, the initial phase is no longer characterized by a constant velocity but an almost constant velocity for over about a similar 6-7 lock lengths. For dimensionless settling numbers greater than 0.015, however, as such, this phase is no longer seen. This initial phase is followed by a continuous decrease of the front advance, which results from the sedimentation of the particles. Unlike the homogeneous currents, this phase is a non-self-similar propagation. This phase is ended by a viscosity-dominated phase appearing to vary as ∼t{sup 1/7}. The good agreement between the front advance of the experiments and shallow-water equation simulations demonstrates that the mean size by mass is a fairly good proxy of poorly sorted particles.

42 ENGINEERING↗
DOE OSTI2021

Physics-Informed Neural Networks for Heat Transfer Problems

Abstract Physics-informed neural networks (PINNs) have gained popularity across different engineering fields due to their effectiveness in solving realistic problems with noisy data and often partially missing physics. In PINNs, automatic differentiation is leveraged to evaluate differential operators without discretization errors, and a multitask learning problem is defined in order to simultaneously fit observed data while respecting the underlying governing laws of physics. Here, we present applications of PINNs to various prototype heat transfer problems, targeting in particular realistic conditions not readily tackled with traditional computational methods. To this end, we first consider forced and mixed convection with unknown thermal boundary conditions on the heated surfaces and aim to obtain the temperature and velocity fields everywhere in the domain, including the boundaries, given some sparse temperature measurements. We also consider the prototype Stefan problem for two-phase flow, aiming to infer the moving interface, the velocity and temperature fields everywhere as well as the different conductivities of a solid and a liquid phase, given a few temperature measurements inside the domain. Finally, we present some realistic industrial applications related to power electronics to highlight the practicality of PINNs as well as the effective use of neural networks in solving general heat transfer problems of industrial complexity. Taken together, the results presented herein demonstrate that PINNs not only can solve ill-posed problems, which are beyond the reach of traditional computational methods, but they can also bridge the gap between computational and experimental heat transfer.

Engineering↗
DOE OSTI2015

Excited state reaction dynamics of Ti(a{sup 5}F{sub J}) + O{sub 2} → TiO(A{sup 3}Φ, B{sup 3}Π, C{sup 3}Δ) + O studied by a crossed-beam velocity map imaging technique

Oxidation reactions of the gas-phase titanium atom in its excited state with oxygen molecule, Ti(a{sup 5}F{sub J}) + O{sub 2} → TiO(A{sup 3}Φ, B{sup 3}Π, C{sup 3}Δ) + O, were studied by a crossed-beam velocity map imaging technique at 14.3 kJ/mol of collision energy. Metastable excited Ti, Ti(a{sup 5}F{sub J}), was generated by an optical pumping method and the reaction products were detected by single photon-ionization followed by a time-of-flight mass analysis and a two dimensional detection. Three wavelengths were selected to ionize electronically excited TiO{sup ∗}, TiO(A{sup 3}Φ, B{sup 3}Π, C{sup 3}Δ). Time sliced images were measured, and angular and speed distributions of TiO{sup ∗} were determined. In all three ionization wavelengths, the angular distributions showed a forward-backward symmetry with low intensity at the sideway direction. The speed distributions were represented by the distributions based on the statistical energy partition into products. These results suggested that the reaction of Ti(a{sup 5}F{sub J}) to form TiO(B) and TiO(C) proceeds via a long-lived intermediate and confirmed that the mechanism proposed by the previous chemiluminescence study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Validating time-distance helioseismology with realistic quiet-sun simulations

Linear time-distance helioseismic inversions are carried out for vector flow velocities using travel times measured from two ∼100{sup 2} Mm{sup 2} × 20 Mm realistic magnetohydrodynamic quiet-Sun simulations of about 20 hr. The goal is to test current seismic methods on these state-of-the-art simulations. Using recent three-dimensional inversion schemes, we find that inverted horizontal flow maps correlate well with the simulations in the upper ∼3 Mm of the domains for several filtering schemes, including phase-speed, ridge, and combined phase-speed and ridge measurements. In several cases, however, the velocity amplitudes from the inversions severely underestimate those of the simulations, possibly indicating nonlinearity of the forward problem. We also find that, while near-surface inversions of the vertical velocities are best using phase-speed filters, in almost all other example cases these flows are irretrievable due to noise, suggesting a need for statistical averaging to obtain better inferences.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Regularity of the Speed of Biased Random Walk in a One-Dimensional Percolation Model

We consider biased random walks on the infinite cluster of a conditional bond percolation model on the infinite ladder graph. Axelson-Fisk and Häggström established for this model a phase transition for the asymptotic linear speed v̄ of the walk. Namely, there exists some critical value λ{sub c}>0 such that v̄>0 if λ∈(0,λ{sub c}) and v̄=0 if λ≥λ{sub c}. We show that the speed v̄ is continuous in λ on (0,∞) and differentiable on (0,λ{sub c}/2). Moreover, we characterize the derivative as a covariance. For the proof of the differentiability of v̄ on (0,λ{sub c}/2), we require and prove a central limit theorem for the biased random walk. Additionally, we prove that the central limit theorem fails to hold for λ≥λ{sub c}/2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Scale-Adaptive Simulation of Transient Two-Phase Flow in Continuous-Casting Mold

Scale-adaptive simulation (SAS) of the transient gas–liquid two-phase flow in a laboratory-scale continuous-casting mold is presented. The main objective is to investigate the applicability of the scale-adaptive unsteady Reynolds-averaged Navier–Stokes turbulent model (URANS SAS) for predicting the transient multiscale turbulent structures in a two-phase flow. Good quantitative agreements with the experimental data and the large eddy simulation (LES) results are obtained both for the time-averaged velocity field and for the transient turbulent characteristics. The introduction of the von Karman length-scale into the turbulence-scale equation allows the SAS model to dynamically adjust to the resolved turbulent structures. The LES-like pulsating behavior of the air gas and the large-scale liquid eddy magnitudes in the unsteady regions of flow field are captured by the SAS model. The classical − 5/3 law of power spectrum density (PSD) of the axial velocity is kept properly for the single-phase turbulent flow. For two-phase flow, the decay of PSD is too steep at the high-frequency region; the predicted PSD obtained with SAS is damped stronger than that estimated by LES. The SAS model offers an attractive alternative to the existing LES approach or to the other hybrid RANS/LES models for strongly unsteady flows.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Probing the meta-stability of oxide core/shell nanoparticle systems at atomic resolution

Hybrid nanoparticles allow exploiting the interplay of confinement, proximity between different materials and interfacial effects. However, to harness their properties an in-depth understanding of their (meta)stability and interfacial characteristics is crucial. This is especially the case of nanosystems based on functional oxides working under reducing conditions, which may severely impact their properties. Here, the in-situ electron-induced selective reduction of Mn 3 O 4 to MnO is studied in magnetic Fe 3 O 4 /Mn 3 O 4 and Mn 3 O 4 /Fe 3 O 4 core/shell nanoparticles by means of high-resolution scanning transmission electron microscopy combined with electron energy-loss spectroscopy. Such in-situ transformation allows mimicking the actual processes in operando environments. A multi-stage image analysis using geometric phase analysis combined with particle image velocity enables direct monitoring of the relationship between structure, chemical composition and strain relaxation during the Mn 3 O 4 reduction. In the case of Fe 3 O 4 /Mn 3 O 4 core/shell the transformation occurs smoothly without the formation of defects. However, for the inverse Mn 3 O 4 /Fe 3 O 4 core/shell configuration the electron beam-induced transformation occurs in different stages that include redox reactions and void formation followed by strain field relaxation via formation of defects. This study highlights the relevance of understanding the local dynamics responsible for changes in the particle composition in order to control stability and, ultimately, macroscopic functionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Characterizing the pore-scale impacts of enhanced-solubilization solutions on organic-liquid morphology and fluid-fluid interfacial area with microtomography

Synchrotron X-ray microtomography was used to directly quantify the impact of enhanced-solubilization solutions on mobilization of a non-wetting fluid in a natural porous medium. Polyoxyethylene sorbitan monooleate (tween 80), hydroxypropyl-β-cyclodextrin (HPCD), sodium dodecyl sulfate (SDS), and ethanol were used as the solubilization reagents. Tetrachloroethene (PCE) was used as the entrapped organic immiscible liquid. Microtomography images were collected prior to and after successive floods with each reagent solution. The total trapping number was varied by more than three orders of magnitude by changing the velocity and viscosity of the aqueous phase as well as the interfacial tension between fluid phases. The results were compared to those obtained from equivalent experiments conducted with water flooding. Inspection of images indicated that mobilization caused a change in PCE morphology and distribution for all reagents with the exception of HPCD, for which a lower trapping number was determined compared to the other experiments. Mobilization of organic liquid was observed at total trapping numbers that were consistent with prior work. The enhanced-solubilization solutions had minimal impact on the configuration or magnitude of fluid-fluid interfacial area.

Interfacial area↗
DOE OSTI2016

Evaluation of stochastic particle dispersion modeling in turbulent round jets

ODT (one-dimensional turbulence) simulations of particle-carrier gas interactions are performed in the jet flow configuration. Particles with different diameters are injected onto the centerline of a turbulent air jet. The particles are passive and do not impact the fluid phase. Their radial dispersion and axial velocities are obtained as functions of axial position. The time and length scales of the jet are varied through control of the jet exit velocity and nozzle diameter. Dispersion data at long times of flight for the nozzle diameter (7 mm), particle diameters (60 and 90 µm), and Reynolds numbers (10, 000–30, 000) are analyzed to obtain the Lagrangian particle dispersivity. Flow statistics of the ODT particle model are compared to experimental measurements. It is shown that the particle tracking method is capable of yielding Lagrangian prediction of the dispersive transport of particles in a round jet. In this study, three particle-eddy interaction models (Type-I, -C, and -IC) are presented to examine the details of particle dispersion and particle-eddy interaction in jet flow.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗