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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

The formation of terrains antipodal to major impacts

The SALE, or Simplified Arbitrary Lagrangian Eulerian code is presently used to calculate the antipodal pressures generated by large impacts on icy satellites and planets of various compositions and core sizes. While in a high density core/lower density mantle planet there is a refraction of the incident pressure wave away from the antipode by the core, resulting in a low antipodal pressure, a planet with a low velocity core with a higher-wave speed mantle will focus the waveform to maximize antipodal pressure. Specific impact basins on the moon, Mercury, and several icy satellites are modeled to ascertain whether the impacts were capable of producing the observed antipodal features.

Watts, Alison W.↗
NASA NTRS1992

A hydrodynamic treatment of the cold dark matter cosmological scenario

The evolution of structure in a postrecombination Friedmann-Robertson-Walker universe containing both gaseous baryons and cold dark matter (CDM) is studied by means of an Eulerian code coupled with a standard particle-mesh code. Ionization state and radiative opacity are calculated in detail, and the hydrodynamic simulations make it possible to compute properties of gas distribution on scales larger than three cell sizes. The model yields a soft X-ray background consistent with the latest cosmic nucleosynthesis values, and can accurately reproduce the galaxy-galaxy two-point correlation. The rate of galaxy formation peaks at a relatively late epoch. With regard to mass function, the smallest objects are stabilized against collapse by thermal energy: the mass-weighted mass spectrum peaks in the vicinity of m(b) = 10 exp 9.2 solar masses with a reasonable fit to the Schecter luminosity function if the baryon mass to blue light ratio is approximately 4. Overall, the simulations provide strong support for the CMD scenario. Of particular interest is that, while the baryons are not biased on scales greater than 1/h Mpc, the galaxies are, and that the 'galaxies' have a correlation function of the required slope and the correct amplitude.

Cen, Renyue↗
NASA NTRS2013

Why Is the Overheating Problem Difficult: the Role of Entropy

The development of computational fluid dynamics over the last few decades has yielded enormous successes and capabilities being routinely employed today; however there remain some open problems to be properly resolved-some are fundamental in nature and some resolvable by operational changes. These two categories are distinguished and broadly explored previously. One, that belongs to the former, is the so-called overheating problem, especially in rarefying flow. This problem up to date still dogs every method known to the author; a solution to it remains elusive. The study in this paper concludes that: (1) the entropy increase is quantitatively linked to the increase in the temperature increase, (2) it is argued that the overheating is inevitable in the current shock capturing or traditional finite difference framework, and (3) a simple hybrid method is proposed that removes the overheating problem in the rarefying problems, but also retains the property of accurate shock capturing. This remedy (enhancement of current numerical methods) can be included easily in the present Eulerian codes.

Liou, Meng-Sing↗
DOE OSTI2016

Contaminant Entrainment in a Liquid Fuel Fire with Multi-Component Evaporation Droplet Model

A number of fire scenarios can result in the release of hazardous chemical or radiological contaminants as sub-micron solid particulates, posing a significant danger of inhalation. These particulates may be entrained in the air around the fire through a variety of mechanisms including liquid droplet formation above the boiling surface of the contaminated fuel. The formation of both film drops from the rupture of a liquid film as a boiling bubble bursts and jet drops from the collapse of the cavity of a ruptured bubble may be involved. A 2015 study by Brown and Louie focused on such a fire scenario to investigate the physics of contaminant release. This paper extends that study by supplementing the existing physics models with a multicomponent evaporation mechanism, where liquid droplets formed near the boiling fuel surface experience evaporation of their various components at different rates based on distinct material properties (density, specific heat, heat of vaporization, etc.). As in the Brown and Louie study, the Sierra low-Mach module Fuego is used as the Lagrangian-Eulerian code for simulation of this scenario. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Modeling of direct-drive cylindrical implosion experiments with an Eulerian radiation-hydrodynamics code

Recent improvements to xRAGE, Los Alamos National Laboratory's Eulerian radiation-hydrodynamics code, have enabled the computation of laser-driven experiments relevant to inertial confinement fusion and high energy density physics. Here, previous directly driven cylindrical implosion experiments are modeled in order to benchmark xRAGE design simulations for future cylindrical implosion experiments, representing the first attempt to model such systems with an Eulerian code with adaptive mesh refinement. Simulations in 2D of transverse and axial cross-sections of the cylindrical target are performed, and the results are combined to form a 3D representation of the imploding cylinder. Synthetic radiographs are produced and analyzed from the simulation results, allowing for a direct comparison with experimentally measured quantities. The zeroth-order hydrodynamic trajectories of targets with no specified initial perturbation are well matched by the computations. Simulations of targets with a preimposed sinusoidal perturbation in the azimuthal direction show single-mode instability growth that is in agreement with the available data, but higher fidelity experimental measurements are required to enable more detailed comparisons. As a result, the mode growth observed in computations compares favorably with predictions of a linear theory for the ablative Rayleigh-Taylor instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Hydro-Code Implementation and Testing of a Kinetic Phase Transition Framework

In this report we describe the Kinetic Phase Transition (KPT) framework that has been worked out over the last 10 years (from around 2014) and the implementation of it into three different codes, the one-dimensional hydro- LASLO and the three-dimensional magneto-hydro- ALEGRA, Sandia codes, via subroutines in the LAMBDA Equations of State and constitutive models package, and Flag, an arbitrary Lagrangian-Eulerian multiphysics code developed within the Lagrangian Applications project (LAP) at LANL. We discuss the introduction of phase mass (and/or volume) fractions that are needed in a code for it to be ‘phase aware’, that is, not only the thermodynamic state is known in each point but also the mixture of the materials’ phases in that point. Further we point to the need of a full Equations of State for each phase in a material to achieve phase awareness and we review the equilibrium phase model, where a phase mixture is at its lowest Gibbs free energy state, to make this point clear. Contrasting the kinetic phase transition to this equilibrium model seamlessly introduce us to the KPT framework that is subsequently thoroughly discussed. While the determination of the total state and the states and mass fractions of phases in each point is a problem that can borrow many of its numerical details from Eulerian codes and mixture of materials (not phases), the update of mass fractions with time in a KPT framework needs a new set of considerations. General for any update model is that we need to prevent mass fractions from becoming unphysical (negative or their sum to be larger than one). We have solved this problem by implementing a subdivision of the hydro time step that prevents the phase from being fully present to not present at all in one subdivided time step by limiting the size of the subdivided time step. This scheme also corrects numerical problems from abrupt changes in parameter values, the so called Gibbs phenomena, that gives rise to slushing between phases in the KPT framework. Interspersed throughout the report are discussions on different thermodynamics considerations. EOS validity windows, limitations on the EOS phase space, are needed for the KPT framework and are discussed separately and exemplified. The KPT framework described in this report has been verified by code comparison, but validation is still an active area of research. There is room for improvement in the update model, both in the model for determination of rates and in how to prevent the mass fractions from becoming unphysical. In addition, the parameters in the KPT update model and the placement of the phase boundary in the EOS phase space, and interactions with other constitutive models, are closely related and interfering with each other. One possible way forward is to simultaneously develop KPT parameters, EOS, and constitutive models for each material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Progress with the 5D full-F continuum gyrokinetic code COGENT

COGENT is an Eulerian gyrokinetic code being developed for edge plasma modelling. The code is distinguished by the use of a high-order finite-volume (conservative) discretization combined with mapped multi-block grid technology. Our recent work is focused on the development of a 5D full-F COGENT version.Anumerical algorithm utilizing locally a field-aligned multi-block coordinate system is implemented to facilitate simulations of highly anisotropic microturbulence in the presence of a strong magnetic shear. In this approach, the toroidal direction is divided into blocks such that,within each block, the cells are field-aligned and a non-matching (non-conformal) grid interface is allowed at the block boundaries. In this paper we report on details of the numerical implementation and present preliminary results of verification studies performed for the case of the ion temperature gradient (ITG) instability in a sheared toroidal annulus geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

ALE3D: An Arbitrary Lagrangian-Eulerian Multi-Physics Code

ALE3D is a multi-physics numerical simulation software tool utilizing arbitrary-Lagrangian- Eulerian (ALE) techniques. The code is written to address both two-dimensional (2D plane and axisymmetric) and three-dimensional (3D) physics and engineering problems using a hybrid finite element and finite volume formulation to model fluid and elastic-plastic response of materials on an unstructured grid. As shown in Figure 1, ALE3D is a single code that integrates many physical phenomena.

42 ENGINEERING↗
DOE OSTI2018

Experimental validation of thermodynamic mixture rules at extreme pressures and densities

Accurate modeling of a mixed material Equation of State (EOS) at high pressures (~1 to 100 Mbar) is critical for simulating inertial confinement fusion and high energy density systems. Here, this paper presents a comparison of two mixing rule models to the experiment to assess their applicability in this regime. The shock velocities of polystyrene, aluminum, and nickel aluminide (NiAl) were measured at a shock pressure of ~3 TPa (~30 Mbar) on the Omega EP laser facility (Laboratory for Laser Energetics, University of Rochester, New York). The resultant shock velocities were compared to those derived from the RAGE (Eulerian) hydrodynamics code to validate various mixing rules used to construct an EOS for NiAl. The simulated shock transit time through the sample (Al or NiAl) matched the measurements to within the ±45ps measurement uncertainty. The law of partial volume (Amagat) and the law of partial pressure (Dalton) mixture rules provided equally good matches to the NiAl shock data. Other studies showed that the Amagat mixing rule is superior, and we recommend it since our results also show a satisfactory match. In conclusion, the comparable quality of the simulation to data for the Al and NiAl samples implies that a mixture rule can supply an EOS for plasma mixtures with adequate fidelity for simulations where mixing takes place, such as advective mix in an Eulerian code or when two materials are mixed together via diffusion, turbulence, or other physical processes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Linearized Coulomb Collision Operator for Simulation of Interpenetrating Plasma Streams

We present an extension of a linearized Coulomb collision operator, previously used in several Eulerian kinetic codes for like-species collisions and unlike-species collisions in the case where the backgrounds about which the linearization is made all are in collisional equilibrium, to the situation of interpenetrating plasma streams. In the latter case, the backgrounds can not be taken to be in equilibrium and a significant generalization is required. Our development is targeted towards the Eulerian kinetic plasma code LOKI, which evolves the Vlasov- Poisson or Vlasov-Maxwell system in a Cartesian “2+2-dimensional” phase space. The extended operator has been implemented in a test code, and results of both quantitative verification and qualitative “realizability” tests are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

2D Magnetohydrodynamic Simulations of the Electrothermal Instability in Metallic Liners

The Virginia Tech (VT) Plasma Dynamics Laboratory Computational (PDCL) and Lawrence Livermore National Laboratory (LLNL) are performing two dimensional (2D) simulations of the electrothermal instability (ETI) using the LLNL multi-physics code Ares. Ares is a multi-physics arbitrary–Lagrangian-Eulerian (ALE) code developed by LLNL and is of particular use in studying magnetohydrodynamic (MHD) instabilities like the ETI due to its resistive MHD, magnetic diffusion, and radiative-hydrodynamics packages. Among its capabilities, it has the ability to model material strength, perform adaptive mesh refinement (AMR), and incorporate a wide variety of equations of state models and conductivity models. The 2D Ares simulation model created by VT-LLNL for studying the development and growth of the electrothermal instability has been configured with initial conditions based on the Mykonos Electrothermal Instability II (METI-II) experiments described by this grant and conducted by team members at the University of Nevada (UNR), the University of New Mexico (UNM), and Sandia National Laboratories. Previously, preliminary 2D Ares simulations of the ETI had been run to approximately 80ns. The rods in these simulations were initiated with sinusoidal perturbations at a similar order of magnitude to those measured on the aluminum rods used for the Mykonos experiment. This model has been improved by increasing the spatial resolution of the simulations and running the simulations further in time. In addition to the simulation run-times extending, the preliminary sinusoidal perturbation has been replaced with a perturbation derived from amplitude measurements by the experimental team, thereby correlating the simulation inputs better to the experimental runs. These new runs are capable of reaching 120ns of simulated time for the uncoated cases and to 200ns the 41 μm coated cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Simulation and Emulation of X-Ray Diffraction from Dynamic Compression Experiments

Many important aspects of the dynamic thermo-mechanical response of materials occur at the mesoscale, i.e. a physical scale of interactions smaller than what can be adequately described by homogenous behaviors, yet larger than the scale of the atomic lattice. Concurrent advancements in computational power, continuum theory, and experimental diagnostics are enabling unprecedented understanding of such interactions. However, we cannot develop a sufficient level of confidence in such mesoscale capability until the constitutive description of the underlying constituents is reliably representative of their actual physical behavior. Therefore, there is a strong need to combine experimental, modeling, and data-science techniques to validate models of the thermomechanical response of individual single crystals. One experimental diagnostic with high potential impact to shock physics and materials science is in-situ x-ray diffraction. This paper is primarily focused on simulation of x-ray diffraction in shock physics, but with an aim toward quantifying parametric uncertainty of simulation models. Here, we develop and demonstrate a data-science and model-driven approach to constrain the parameterization of continuum models of crystal lattice deformation associated with the shock response of crystalline materials. The framework is built around the connection between continuum hydrodynamic simulations of lattice deformation and a new Bragg diffraction simulation code, BarberShop. The dynamic deformation of a crystal lattice is modeled using the DiscoFlux model within an arbitrary Lagrangian-Eulerian hydrodynamic code, FLAG. These detailed continuum simulations of lattice deformation can be computationally slow, thus a statistical model is used to emulate the evolution of lattice deformation fields in time and across the considered model parameter space. Emulated lattice deformation fields can then be generated rapidly for any combination of physics model parameters. In turn, these fields can be fed into BarberShop to realize a rapid prediction of Bragg diffraction patterns associated with particular values of physics model parameters. The framework enables parameterization of the single crystal model to obtain Bragg diffraction patterns that most closely resemble a corresponding measurement. Furthermore, the framework naturally provides sensitivities of the lattice deformation to the physics parameters. We highlight the utility of this framework through the application to a synthetic closed-loop inverse problem leading to the parameterization of a single crystal material model. As a model problem, we consider the dynamic response of the energetic molecular crystal, cyclotrimethylenetrinitramine (or RDX), under dynamic compression induced by simulated flyer plate impact experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Large-eddy simulation and Reynolds-averaged Navier-Stokes modeling of a reacting Rayleigh-Taylor mixing layer in a spherical geometry

Tenth-order compact difference code Miranda is utilized to perform large-eddy simulation (LES) of a hydrogen gas–plastic mixing layer in a spherical geometry. Once the mixing layer has achieved self-similar growth, it is heated to 1 keV, and the second-order arbitrary Lagrangian-Eulerian (ALE) code Ares is used to simulate mixing layer evolution as it undergoes thermonuclear (TN) burn. Both premixed (in which deuterium and tritium are initially present in the gas) and nonpremixed (in which deuterium is initially present only in the plastic) variants are considered at Atwood numbers 0.05 and 0.50. The effect of turbulent mixing on mean TN reaction rate is examined, and a four-equation k – L – a – V Reynolds-averaged Navier-Stokes (RANS) model is presented. The k – L – a – V model, which represents an extension of the k – L – a model [Morgan and Wickett, Phys. Rev. E 91, 043002 (2015)] by the addition of a transport equation for the scalar mass fraction variance, is then applied in one-dimensional simulations of the reacting mixing layer under consideration. Excellent agreement is gained between LES and RANS in total TN neutron production when fluctuations in reaction cross-section can be neglected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Three-dimensional hydrodynamic simulations of OMEGA implosions

Here, the effects of large-scale (with Legendre modes ≲10) asymmetries in OMEGA direct-drive implosions caused by laser illumination nonuniformities (beam-power imbalance and beam mispointing and mistiming), target offset, and variation in target-layer thickness were investigated using the low-noise, three-dimensional Eulerian hydrodynamic code ASTER. Simulations indicate that these asymmetries can significantly degrade the implosion performance. The most important sources of the asymmetries are the target offsets (~10 to 20 μm), beam-power imbalance (σ rms ~ 10%), and variations (~5%) in target-layer thickness. Large-scale asymmetries distort implosion cores, resulting in a reduced hot-spot confinement and an increased residual kinetic energy of implosion targets. The ion temperature inferred from the width of simulated neutron spectra is influenced by bulk fuel motion in the distorted hot spot and can result in up to an ~1 -keV increase in apparent temperature. Similar temperature variations along different lines of sight are observed. Demonstrating hydrodynamic equivalence to ignition designs on OMEGA requires a reduction in large-scale target and laser-imposed nonuniformities, minimizing target offset, and employing highly efficient mid-adiabat (α = 4) implosion designs, which mitigate cross-beam energy transfer and suppress short-wavelength Rayleigh–Taylor growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Effects of residual kinetic energy on yield degradation and ion temperature asymmetries in inertial confinement fusion implosions

The study of Rayleigh–Taylor instability in the deceleration phase of inertial confinement fusion implosions is carried out using the three-dimensional (3-D) radiation-hydrodynamic Eulerian parallel code DEC3D. In this paper, we show that the yield-over-clean is a strong function of the residual kinetic energy (RKE) for low modes. Our analytical models indicate that the behavior of larger hot-spot volumes observed in low modes and the consequential pressure degradation can be explained in terms of increasing the RKE. These results are derived using a simple adiabatic implosion model of the deceleration phase as well as through an extensive set of 3-D single-mode simulations using the code DEC3D. The effect of the bulk velocity broadening on ion temperature asymmetries is analyzed for different mode numbers ℓ = 1 -12. The jet observed in low mode ℓ = 1 is shown to cause the largest ion temperature variation in the mode spectrum. Finally, the vortices of high modes within the cold bubbles are shown to cause lower ion temperature variations than low modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Simulations of three-layer Richtmyer–Meshkov mixing in a shock tube

Here, the Richtmyer–Meshkov instability causes perturbations to grow after a shock traverses a fluid density interface. This increases the mixing rate between fluid from either side of the interface. We use the Flash Eulerian hydrodynamic code to investigate alterations when a thin third layer of intermediate density is placed along the interface, effectively creating two adjacent unstable interfaces. This is a common occurrence in engineering applications where a thin barrier initially separates two materials. We find that the width of the mixing layer is similar or slightly reduced; however, the total mass of mixed material can actually increase. The mixing layer becomes more compact and efficient. However, the normalized mixed mass decreases, meaning that finger entrainment becomes more important than in the simple two-layer case. The effect of adding the central layer appears to decrease when the Atwood number is decreased. The Flash results are also benchmarked against two-layer experimental data from a shock tube at the University of Arizona.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Investigating the radial structure of axisymmetric fluctuations in the TCV tokamak with local and global gyrokinetic GENE simulations

Axisymmetric (n=0) density fluctuations measured in the TCV tokamak are observed to possess a frequency f<sub>0</sub> which is either varying (radially dispersive oscillations) or a constant over a large fraction of the plasma minor radius (radially global oscillations) as reported in a companion paper [Z. Huang <i>et al.</i>, this issue]. Given that f<sub>0</sub> scales with the sound speed and given the poloidal structure of density fluctuations, these oscillations were interpreted as Geodesic Acoustic Modes, even though f<sub>0</sub> is in fact smaller than the local linear GAM frequency f<sub>GAM</sub> . In this work we employ the Eulerian gyrokinetic code GENE to simulate TCV relevant conditions and investigate the nature properties of these oscillations, in particular their relation to the safety factor profile. Local and global simulations are carried out and a good qualitative agreement is observed between experiments and simulations. By varying also the plasma temperature and density profiles, we conclude that a variation of the edge safety factor alone is not sufficient to induce a transition from global to radially inhomogeneous oscillations, as was initially suggested by experimental results. This transition appears instead to be the combined result of variations in the different plasma profiles, collisionality and finite machine size effects. In conclusion, simulations also show that radially global GAM-like oscillations can be observed in all fluxes and fluctuation fields, suggesting that they are the result of a complex nonlinear process involving also finite toroidal mode numbers and not just linear global GAM eigenmodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗