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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modeling Vapor Transport Deposition of Metal-halide Perovskite Thin Films for Photovoltaic and Optoelectronic Devices

Over the past decade, metal halide perovskites (MHPs) have emerged as a promising materials platform for high-efficiency solar cells and low-cost optoelectronics. However, there are challenges that frustrate the large-scale manufacturing of MHP devices, including difficulty in controlling film composition, interface formation and their device instability under ambient conditions. Vapor processing offers an attractive path to manufacturability, while also opening the door to new opportunities in device design that could favorably impact ultrahigh efficiency tandem solar cells or overall stability. Emphasis here is on the use of an alternate processing methodology, vapor transport deposition (VTD), to deposit the MHP layer. In experimental work, we found that our deposition system had significant run-to-run variations in film thickness and composition. To understand and resolve these issues, we use COMSOL Multiphysics software to model the precursor deposition rate numerically, trying to guide the broad range of parameters in the system. The result can be matched with experimental data and provides insight into system hydrodynamics and molar transport effects. Finally, we show that chamber pressure is a key factor to scale up the VTD technique.

Hsu, Wan-Ju↗
DOE OSTI2018

A fully 3-D numerical model to predict flood wave propagation and assess efficiency of flood protection measures

Discussed are the development and validation of a 3-D, non-hydrostatic, Reynolds-Averaged Navier–Stokes (RANS) model using the Volume of Fluid (VOF) approach to simulate flooding events in natural environments. A series of validation simulations in simple and complex geometries are performed to test the different modules of the flow solver. The paper also discusses the differences between simulation results obtained using the 3-D model and those obtained using a standard, 2-D hydrostatic, depth-averaged model. The predictions by the two models show fairly large differences in regions where 3-D effects are expected to be significant (e.g., in regions containing highly-curved river reaches and near hydraulic structures). Then, the validated 3-D model is employed to investigate the efficiency of using flood-protection walls to reduce adverse effects of flooding in the Iowa River near Iowa City, Iowa, USA. Finally, the propagation of a flood wave in a reach of the Iowa River containing a bridge is simulated and the effects of the flow becoming pressurized beneath the bridge deck are discussed. For such applications, in which the regime can change locally between open channel and pressurized flow, the use of fully 3-D, non-hydrostatic models may be the only viable option to accurately predict flow hydrodynamics and its effects on bed shear stresses and sediment entrainment potential, especially around locations where the flow becomes pressurized.

Water Resources↗
DOE OSTI2022

Local Lagrangian reduced-order modeling for the Rayleigh-Taylor instability by solution manifold decomposition

The Rayleigh-Taylor instability is a classical hydrodynamic instability of great interest in various disciplines of science and engineering, including astrophysics, atmospheric sciences and climate, geophysics, and fusion energy. Analytical methods cannot be applied to explain the long-time behavior of the Rayleigh-Taylor instability, and therefore, numerical simulation of the full problem is required. However, in order to capture the growth of amplitude of perturbations accurately, both the spatial and temporal discretizations need to be extremely fine for traditional numerical methods, and long-time simulation may become prohibitively expensive. In this paper, we propose efficient reduced order model techniques to accelerate the simulation of the Rayleigh-Taylor instability in compressible gas dynamics. Here, we introduce a general framework for decomposing the solution manifold to construct the temporal domain partition and temporally-local reduced order model construction with varying Atwood number. We propose two practical approaches in this framework, namely decomposition by physical time and by penetration distance. Numerical results are presented to examine the performance of the proposed approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Integrated Tokamak modeling: When physics informs engineering and research planning

Modeling tokamaks enables a deeper understanding of how to run and control our experiments and how to design stable and reliable reactors. We model tokamaks to understand the nonlinear dynamics of plasmas embedded in magnetic fields and contained by finite size, conducting structures, and the interplay between turbulence, magneto-hydrodynamic instabilities, and wave propagation. This tutorial guides through the components of a tokamak simulator, highlighting how high-fidelity simulations can guide the development of reduced models that can be used to understand how the dynamics at a small scale and short time scales affects macroscopic transport and global stability of plasmas. It discusses the important role that reduced models have in the modeling of an entire plasma discharge from startup to termination, the limits of these models, and how they can be improved. It discusses the important role that efficient workflows have in the coupling between codes, in the validation of models against experiments and in the verification of theoretical models. Finally, it reviews the status of integrated modeling and addresses the gaps and needs towards predictions of future devices and fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

High-volume and -adiabat capsule (“HVAC”) ignition: Lowered fuel compression requirements using advanced Hohlraums

Lower-than-expected deuterium–tritium fuel areal densities have been experimentally inferred across a variety of high-convergence, nominally low-adiabat implosion campaigns at the National Ignition Facility (NIF) using cylinder-shaped Hohlraums [Hurricane et al., Phys. Plasmas 26, 052704 (2019)]. A leading candidate explanation is the presence of atomic mix between the fuel and ablator from hydrodynamic instability growth [Clark et al., Phys. Plasmas 26, 050601 (2019)], leading to reduced fuel compressibility and an effectively higher (in-flight) fuel adiabat α. Tolerating a high-α implosion can be obtained with significantly higher capsule absorbed energy Ecap according to the one-dimensional (1-D) ignition-threshold-factor analytic scaling [S. Atzeni and J. Meyer-ter-Vehn, Nucl. Fusion 41, 465 (2001)], ITF∼Ecap·α−1.8. Recent experiments with large Al shells in rugby-shaped Hohlraums have established high laser-capsule coupling efficiencies of ≽ 30% [Ping et al., Nat. Phys. 15, 138 (2019)], enabling a path to Ecap≽ 0.5 MJ at the NIF and increased performance margin M ≡ ITF − 1. The ability to operate at high adiabat with large capsules using nonstandard Hohlraums leads to the predicted onset of a volume-ignition mode, defined as when both the entire fuel is the “hot spot” and inertial confinement is principally provided by the ablator compared with the compressed fuel. Such an ignition mode, normally reserved for high-Z targets, e.g., double shells [Amendt et al., Phys. Plasmas 14, 056312 (2007)], is predicted to lead to lower fuel convergence and less exposure to mix due to the intended high adiabat—but at the expense of ∼3–4 × reduced (1-D) yield compared with conventional central hot-spot ignition designs.

Amendt, Peter (ORCID:0000000174021777)↗
DOE OSTI2016

Hydrodynamics of suspensions of passive and active rigid particles: a rigid multiblob approach

We develop a rigid multiblob method for numerically solving the mobility problem for suspensions of passive and active rigid particles of complex shape in Stokes flow in unconfined, partially confined, and fully confined geometries. As in a number of existing methods, we discretize rigid bodies using a collection of minimally resolved spherical blobs constrained to move as a rigid body, to arrive at a potentially large linear system of equations for the unknown Lagrange multipliers and rigid-body motions. Here we develop a block-diagonal preconditioner for this linear system and show that a standard Krylov solver converges in a modest number of iterations that is essentially independent of the number of particles. Key to the efficiency of the method is a technique for fast computation of the product of the blob-blob mobility matrix and a vector. For unbounded suspensions, we rely on existing analytical expressions for the Rotne-Prager-Yamakawa tensor combined with a fast multipole method (FMM) to obtain linear scaling in the number of particles. For suspensions sedimented against a single no-slip boundary, we use a direct summation on a graphical processing unit (GPU), which gives quadratic asymptotic scaling with the number of particles. For fully confined domains, such as periodic suspensions or suspensions confined in slit and square channels, we extend a recently developed rigid-body immersed boundary method by B. Kallemov, A. P. S. Bhalla, B. E. Griffith, and A. Donev (Commun. Appl. Math. Comput. Sci. 11 (2016), no. 1, 79-141) to suspensions of freely moving passive or active rigid particles at zero Reynolds number. We demonstrate that the iterative solver for the coupled fluid and rigid-body equations converges in a bounded number of iterations regardless of the system size. In our approach, each iteration only requires a few cycles of a geometric multigrid solver for the Poisson equation, and an application of the block-diagonal preconditioner, leading to linear scaling with the number of particles. We optimize a number of parameters in the iterative solvers and apply our method to a variety of benchmark problems to carefully assess the accuracy of the rigid multiblob approach as a function of the resolution. We also model the dynamics of colloidal particles studied in recent experiments, such as passive boomerangs in a slit channel, as well as a pair of non-Brownian active nanorods sedimented against a wall.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Dense plasma heating and Gbar shock formation by a high intensity flux of energetic electrons

Process of shock ignition in inertial confinement fusion implies creation of a high pressure shock with a laser spike having intensity of the order of a few PW/cm{sup 2}. However, the collisional (Bremsstrahlung) absorption at these intensities is inefficient and a significant part of laser energy is converted in a stream of energetic electrons. The process of shock formation in a dense plasma by an intense electron beam is studied in this paper in a planar geometry. The energy deposition takes place in a fixed mass target layer with the areal density determined by the electron range. A self-similar isothermal rarefaction wave of a fixed mass describes the expanding plasma. Formation of a shock wave in the target under the pressure of expanding plasma is described. The efficiency of electron beam energy conversion into the shock wave energy depends on the fast electron energy and the pulse duration. The model is applied to the laser produced fast electrons. The fast electron energy transport could be the dominant mechanism of ablation pressure creation under the conditions of shock ignition. The shock wave pressure exceeding 1 Gbar during 200–300 ps can be generated with the electron pulse intensity in the range of 5–10 PW/cm{sup 2}. The conclusions of theoretical model are confirmed in numerical simulations with a radiation hydrodynamic code coupled with a fast electron transport module.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Beam-water Interaction System for PFAS Treatment

Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants that resist conventional water treatment due to the strength of their carbon fluorine bonds. Electron-beam irradiation has shown potential for PFAS degradation; however, its effectiveness is limited by shallow energy penetration, restricting treatment to the upper region of the water surface. This project addresses this limitation through the design of a compact mixing chamber and recirculation system to enhance surface renewal and improve treatment efficiency. The system, constrained to approximately 10 cm 20 cm 20 cm, was developed using computer-aided design, computational fluid dynamics (CFD), and MATLAB-based hydraulic analysis to evaluate flow behavior, head loss, and pump compatibility. A perforated-baffle geometry and controlled flow range of 1 3 GPM were implemented to promote uniform mixing while maintaining a stable free surface for electron-beam exposure. Modeling results indicate improved flow distribution and reduced dead zones, supporting more consistent interaction between contaminated water and the beam. The final design enhances hydrodynamic performance within system constraints, contributing to scalable electron-beam water treatment technologies for improved PFAS degradation.

Ramos, Gerardo [Northern Illinois U.]↗
DOE OSTI2020

Performance evaluation of surface riding wave energy converter with linear electric generator

In this work, we devised a new WEC (wave energy converter) called SR-WEC (Surface Riding WEC). The SR-WEC consists of two bodies: the outer cylinder with an armature assembly (body #1) and a magnet assembly (body #2) sliding inside the armature. For the SR-WEC, the relative sliding displacement and velocity are caused by gravity acceleration and the outer cylinder's motions, and they lead to electrical power generation. To evaluate its performance, a numerical simulation tool was developed, which solves the fully-coupled floater-mooring-generator dynamics. During the developing stage, the appropriate hydrodynamics model, sliding mechanics model, mooring dynamics model, and LEG (linear electric generator) electro-magnetic model were independently developed and then fully coupled in time domain to account for the cross-coupling interactions among them. Then, the developed simulation tool was verified component by component against various laboratory tests. Subsequently, systematic parametric studies were conducted with several important design parameters under various wave conditions to enhance power generation. After that, the average output power was evaluated in enlarged operational wave conditions. The present SR-WEC is particularly designed to be efficient at low sea states, which is good since they cover the majority of typical annual sea states.

42 ENGINEERING↗
NASA NTRS1999

Particle-Image Velocimetry in Microgravity Laminar Jet Diffusion Flames

This paper discusses planned velocity measurements in microgravity laminar jet diffusion flames. These measurements will be conducted using Particle-Image Velocimetry (PIV) in the NASA Glenn 2.2-second drop tower. The observations are of fundamental interest and may ultimately lead to improved efficiency and decreased emissions from practical combustors. The velocity measurements will support the evaluation of analytical and numerical combustion models. There is strong motivation for the proposed microgravity flame configuration. Laminar jet flames are fundamental to combustion and their study has contributed to myriad advances in combustion science, including the development of theoretical, computational and diagnostic combustion tools. Nonbuoyant laminar jet flames are pertinent to the turbulent flames of more practical interest via the laminar flamelet concept. The influence of gravity on these flames is deleterious: it complicates theoretical and numerical modeling, introduces hydrodynamic instabilities, decreases length scales and spatial resolution, and limits the variability of residence time. Whereas many normal-gravity laminar jet diffusion flames have been thoroughly examined (including measurements of velocities, temperatures, compositions, sooting behavior and emissive and absorptive properties), measurements in microgravity gas-jet flames have been less complete and, notably, have included only cursory velocity measurements. It is envisioned that our velocity measurements will fill an important gap in the understanding of nonbuoyant laminar jet flames.

Sunderland, P. B.↗
DOE OSTI2020

Collinear dual-pulse laser optical breakdown and energy deposition

A non-equilibrium model for laser-generated plasmas is used to represent collinear dual nano-second-pulse interactions. In the specific case considered, the breakdown is initiated with an ultraviolet (UV) laser pulse at 266 nm, which pre-ionizes the gas, and it is followed by a near-infrared (NIR) pulse at 1064 nm, which deposits significant energy into the ionized mixture. The model is validated against corresponding experiments, and simulation results are interrogated to understand key features of the plasma-kernel dynamics and the post-discharge hydrodynamics. The hydrodynamics of the non-equilibrium plasma is governed by the two-temperature Navier–Stokes equations accounting for both multiphoton ionization and inverse bremsstrahlung. The interaction between the laser beam and the plasma is modeled based on the radiative transfer equation. The temporal and spatial offsets of the two pulses can generate ionization kernels with different topology and dynamics. It is shown that the UV pre-ionization pulse can tailor the plasma region, leading to a larger ionized volume than would occur for a single-pulse breakdown, and it increases the efficiency of the energy deposition for the following NIR discharge. Vorticity in the early post-discharge phase is generated via baroclinic torque from the misalignment of the radial gradient of density (sudden gas expansion) and the strong pressure gradient (initiated by energy deposition from the laser beam). It is predicted that the collinear dual pulse can be designed to specify the plasma kernel size, shape, and maximum temperature in the breakdown phase, and the initial post-breakdown vorticity and plasma-core decay.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

MODELING THE RISE OF FIBRIL MAGNETIC FIELDS IN FULLY CONVECTIVE STARS

Many fully convective stars exhibit a wide variety of surface magnetism, including starspots and chromospheric activity. The manner by which bundles of magnetic field traverse portions of the convection zone to emerge at the stellar surface is not especially well understood. In the solar context, some insight into this process has been gleaned by regarding the magnetism as consisting partly of idealized thin flux tubes (TFTs). Here we present the results of a large set of TFT simulations in a rotating spherical domain of convective flows representative of a 0.3 M {sub ⊙} main-sequence star. This is the first study to investigate how individual flux tubes in such a star might rise under the combined influence of buoyancy, convection, and differential rotation. A time-dependent hydrodynamic convective flow field, taken from separate 3D simulations calculated with the anelastic equations, impacts the flux tube as it rises. Convective motions modulate the shape of the initially buoyant flux ring, promoting localized rising loops. Flux tubes in fully convective stars have a tendency to rise nearly parallel to the rotation axis. However, the presence of strong differential rotation allows some initially low-latitude flux tubes of moderate strength to develop rising loops that emerge in the near-equatorial region. Magnetic pumping suppresses the global rise of the flux tube most efficiently in the deeper interior and at lower latitudes. The results of these simulations aim to provide a link between dynamo-generated magnetic fields, fluid motions, and observations of starspots for fully convective stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Lagrangian large eddy simulations via physics-informed machine learning

High-Reynolds number homogeneous isotropic turbulence (HIT) is fully described within the Navier–Stokes (NS) equations, which are notoriously difficult to solve numerically. Engineers, interested primarily in describing turbulence at a reduced range of resolved scales, have designed heuristics, known as large eddy simulation (LES). LES is described in terms of the temporally evolving Eulerian velocity field defined over a spatial grid with the mean-spacing correspondent to the resolved scale. This classic Eulerian LES depends on assumptions about effects of subgrid scales on the resolved scales. Here, we take an alternative approach and design LES heuristics stated in terms of Lagrangian particles moving with the flow. Our Lagrangian LES, thus L-LES, is described by equations generalizing the weakly compressible smoothed particle hydrodynamics formulation with extended parametric and functional freedom, which is then resolved via Machine Learning training on Lagrangian data from direct numerical simulations of the NS equations. The L-LES model includes physics-informed parameterization and functional form, by combining physics-based parameters and physics-inspired Neural Networks to describe the evolution of turbulence within the resolved range of scales. The subgrid-scale contributions are modeled separately with physical constraints to account for the effects from unresolved scales. We build the resulting model under the differentiable programming framework to facilitate efficient training. We experiment with loss functions of different types, including physics-informed ones accounting for statistics of Lagrangian particles. We show that our L-LES model is capable of reproducing Eulerian and unique Lagrangian turbulence structures and statistics over a range of turbulent Mach numbers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Neutrino fast flavor oscillations with moments: Linear stability analysis and application to neutron star mergers

Providing an accurate modeling of neutrino physics in dense astrophysical environments such as binary neutron star mergers presents a challenge for hydrodynamic simulations. Nevertheless, understanding how flavor transformation can occur and affect the dynamics, the mass ejection, and the nucleosynthesis will need to be achieved in the future. Computationally expensive, large-scale simulations frequently evolve the first classical angular moments of the neutrino distributions. By promoting these quantities to matrices in flavor space, we develop a linear stability analysis of fast flavor oscillations using only the first two “quantum” moments, which notably requires generalizing the classical closure relations that appropriately truncate the hierarchy of moment equations in order to treat quantum flavor coherence. After showing the efficiency of this method on a well-understood test situation, we perform a systematic search of the occurrence of fast flavor instabilities in a neutron star merger simulation. Here, we discuss the successes and shortcomings of moment linear stability analysis, as this framework provides a time-efficient way to design and study better closure prescriptions in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

CAN HELIUM ENVELOPES CHANGE THE OUTCOME OF DIRECT WHITE DWARF COLLISIONS?

A pivotal feature for the viability of white dwarf (WD) collisions as SN Ia progenitors is that a significant fraction of the mass is highly compressed to the densities required for efficient {sup 56}Ni production before the ignition of the detonation wave. Previous studies have employed model WDs composed of carbon–oxygen (CO), whereas WDs typically have a non-negligible helium envelope. Given that helium is more susceptible to explosive burning than CO under the conditions of WD collision, a legitimate concern is whether or not early time He detonation ignition can lead to early time CO detonation, drastically reducing {sup 56}Ni synthesis. We investigate the role of He in determining the fate of WD collisions by performing a series of two-dimensional hydrodynamics calculations. We find that a necessary condition for non-trivial reduction of the CO ignition time is that the He detonation birthed in the contact region successfully propagates into the unshocked shell. We determine the minimal He shell mass as a function of the total WD mass that upholds this condition. Although we utilize a simplified reaction network similar to those used in previous studies, our findings are in good agreement with detailed investigations concerning the impact of network size on He shell detonations. This allows us to extend our results to the case with more realistic burning physics. Based on the comparison of these findings against evolutionary calculations of WD compositions, we conclude that most, if not all, WD collisions will not be drastically impacted by their intrinsic He components.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

On the origin of the Hubble sequence: I. Insights on galaxy color migration from cosmological simulations

An analysis of more than 3000 galaxies resolved at better than 114 h{sup –1} pc at z = 0.62 in a 'LAOZI' cosmological adaptive mesh refinement hydrodynamic simulation is performed and insights are gained on star formation quenching and color migration. The vast majority of red galaxies are found to be within three virial radii of a larger galaxy at the onset of quenching, when the specific star formation rate experiences the sharpest decline to fall below ∼10{sup –2}-10{sup –1} Gyr{sup –1} (depending on the redshift). Thus, we shall call this mechanism 'environment quenching', which encompasses satellite quenching. Two physical processes are largely responsible: Ram pressure stripping first disconnects the galaxy from the cold gas supply on large scales, followed by a longer period of cold gas starvation taking place in a high velocity-dispersion environment, in which during the early part of the process, the existing dense cold gas in the central region (≤10 kpc) is consumed by in situ star formation. On average, quenching is found to be more efficient (i.e., a larger fraction of galaxies being quenched) but not faster (i.e., the duration being weakly dependent on the environment) in a denser environment. Throughout this quenching period and the ensuing one in the red sequence, galaxies follow nearly vertical tracks in the color-stellar mass diagram. In contrast, individual galaxies of all masses grow most of their stellar masses in the blue cloud, prior to the onset of quenching, and progressively more massive blue galaxies with already relatively older mean stellar ages continue to enter the red sequence. Consequently, correlations among observables of red galaxies—such as the age-mass relation— are largely inherited from their blue progenitors at the onset of quenching. While the color makeup of the entire galaxy population strongly depends on the environment, which is a direct result of environment quenching, physical properties of blue galaxies as a subpopulation show little dependence on the environment. A variety of predictions from the simulation are shown to be in accordance with extant observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

CFD Simulation of Helium Flow Loop Test Section

A helium flow loop is being assembled at Oak Ridge National Laboratory to analyze heat transfer enhancement for systems such as blanket and divertor components. To efficiently identify optimum geometries for heat transfer enhancement in these applications, simulation work is performed to optimize test section designs that are built and tested in the helium flow loop that operates at 4 MPa and a mass flow rate of 100 g/s. Different ribbed geometries that examine rib shape, rib height, rib orientation, rib spacing, and three dimensional orientation are modeled and simulated in STAR-CCM+ to compare their ability to remove heat and mitigate pressure drop. Following the simulations, models are selected and manufactured for the helium flow loop tests. Simulations initially focus on a hydrodynamic study to determine the appropriate mesh and physics models and then add a heat flux to analyze the heat transfer abilities of the models. The simulations are run in steady state and use a Reynolds-averaged Navier-Stokes k-ε turbulence model. The helium is modeled as an ideal gas. The simulation explores models of geometries that enhance the heat transfer and decrease pressure drop with an overall goal of increasing fluid collision with the wall. Enhanced geometries are simulated to select appropriate designs for manufacturing, and preliminary experimental results are used to validate the simulations. Furthermore, the factors that are being analyzed in the comparison between the experimental and the simulated results include matching thermocouple temperatures, pressure drop, roughness, and fluid velocity.

42 ENGINEERING↗