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NASA NTRS1983

Navier-Stokes solution on the CYBER-203 by a pseudospectral technique

A three-level, time-split, mixed spectral/finite difference method for the numerical solution of the three-dimensional, compressible Navier-Stokes equations has been developed and implemented on the Control Data Corporation (CDC) CYBER-203. This method uses a spectral representation for the flow variables in the streamwise and spanwise coordinates, and central differences in the normal direction. The five dependent variables are interleaved one horizontal plane at a time and the array of their values at the grid points of each horizontal plane is a typical vector in the computation. The code is organized so as to require, per time step, a single forward-backward pass through the entire data base. The one-and two-dimensional Fast Fourier Transforms are performed using software especially developed for the CYBER-203.

Lambiotte, J. J.↗

NASA NTRS1992

Mixing and chemical reaction in sheared and nonsheared homogeneous turbulence

Direct numerical simulations were made to examine the local structure of the reaction zone for a moderately fast reaction between unmixed species in decaying, homogeneous turbulence and in a homogeneous turbulent shear flow. Pseudospectral techniques were used in domains of 64 exp 3 and higher wavenumbers. A finite-rate, single step reaction between non-premixed reactants was considered, and in one case temperature-dependent Arrhenius kinetics was assumed. Locally intense reaction rates that tend to persist throughout the simulations occur in locations where the reactant concentration gradients are large and are amplified by the local rate of strain. The reaction zones are more organized in the case of a uniform mean shear than in isotropic turbulence, and regions of intense reaction rate appear to be associated with vortex structures such as horseshoe vortices and fingers seen in mixing layers. Concentration gradients tend to align with the direction of the most compressive principal strain rate, more so in the isotropic case.

Leonard, Andy D.↗

NASA NTRS1991

Three-Dimensional Analysis and Modeling of a Wankel Engine

A new computer code, AGNI-3D, has been developed for the modeling of combustion, spray, and flow properties in a stratified-charge rotary engine (SCRE). The mathematical and numerical details of the new code are described by the first author in a separate NASA publication. The solution procedure is based on an Eulerian-Lagrangian approach where the unsteady, three-dimensional Navier-Stokes equations for a perfect gas-mixture with variable properties are solved in generalized, Eulerian coordinates on a moving grid by making use of an implicit finite-volume, Steger-Warming flux vector splitting scheme. The liquid-phase equations are solved in Lagrangian coordinates. The engine configuration studied was similar to existing rotary engine flow-visualization and hot-firing test rigs. The results of limited test cases indicate a good degree of qualitative agreement between the predicted and measured pressures. It is conjectured that the impulsive nature of the torque generated by the observed pressure nonuniformity may be one of the mechanisms responsible for the excessive wear of the timing gears observed during the early stages of the rotary combustion engine (RCE) development. It was identified that the turbulence intensities near top-dead-center were dominated by the compression process and only slightly influenced by the intake and exhaust processes. Slow mixing resulting from small turbulence intensities within the rotor pocket and also from a lack of formation of any significant recirculation regions within the rotor pocket were identified as the major factors leading to incomplete combustion. Detailed flowfield results during exhaust and intake, fuel injection, fuel vaporization, combustion, mixing and expansion processes are also presented. The numerical procedure is very efficient as it takes 7 to 10 CPU hours on a CRAY Y-MP for one entire engine cycle when the computations are performed over a 31 x16 x 20 grid.

Raju, M. S.↗

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 OSTI2020

Structural response of α-quartz under plate-impact shock compression

Because of its far-reaching applications in geophysics and materials science, quartz has been one of the most extensively examined materials under dynamic compression. Despite 50 years of active research, questions remain concerning the structure and transformation of SiO 2 under shock compression. Continuum gas-gun studies have established that under shock loading quartz transforms through an assumed mixed-phase region to a dense high-pressure phase. While it has often been assumed that this high-pressure phase corresponds to the stishovite structure observed in static experiments, there have been no crystal structure data confirming this. In this study, we use gas-gun shock compression coupled with in situ synchrotron x-ray diffraction to interrogate the crystal structure of shock-compressed α-quartz up to 65 GPa. Our results reveal that α-quartz undergoes a phase transformation to a disordered metastable phase as opposed to crystalline stishovite or an amorphous structure, challenging long-standing assumptions about the dynamic response of this fundamental material.

58 GEOSCIENCES↗

NASA NTRS1994

The stabilizing effect of compressibility in turbulent shear flow

Direct numerical simulation of turbulent homogeneous shear flow is performed in order to clarify compressibility effects on the turbulence growth in the flow. The two Mach numbers relevant to homogeneous shear flow are the turbulent Mach number M(t) and the gradient Mach number M(g). Two series of simulations are performed where the initial values of M(g) and M(t) are increased separately. The growth rate of turbulent kinetic energy is observed to decrease in both series of simulations. This 'stabilizing' effect of compressibility on the turbulent energy growth rate is observed to be substantially larger in the DNS series where the initial value of M(g) is changed. A systematic companion of the different DNS cues shows that the compressibility effect of reduced turbulent energy growth rate is primarily due to the reduced level of turbulence production and not due to explicit dilatational effects. The reduced turbulence production is not a mean density effect since the mean density remains constant in compressible homogeneous shear flow. The stabilizing effect of compressibility on the turbulence growth is observed to increase with the gradient Mach number M(g) in the homogeneous shear flow DNS. Estimates of M(g) for the mixing and the boundary layer are obtained. These estimates show that the parameter M(g) becomes much larger in the high-speed mixing layer relative to the high-speed boundary layer even though the mean flow Mach numbers are the same in the two flows. Therefore, the inhibition of turbulent energy production and consequent 'stabilizing' effect of compressibility on the turbulence (over and above that due to the mean density variation) is expected to be larger in the mixing layer relative to the boundary layer in agreement with experimental observations.

Sarkar, S.↗

NASA NTRS1997

Investigation of Mixing a Supersonic Stream with the Flow Downstream of a Wedge

The flow characteristics in the base region of a two-dimensional supersonic compression ramp are investigated. A stream-wise oriented air jet, M = 1.75, is injected through a thin horizontal slot into a supersonic air main flow, M = 2.3, at the end of a two-dimensional compression ramp. The velocity profile and basic characteristics of the flow in the base region immediately following the ramp are determined. Visualization of the flowfield for qualitative observations is accomplished via Dark Central Ground Interferometry (DCGI). Two-dimensional velocity profiles are obtained using Laser Doppler Velocimetry (LDV). The study is the initial phase of a four-year investigation of base flow mixing. The current study is to provide more details of the flowfield.

Sheeley, Joseph↗

DOE OSTI2022

Observations of twinning microstructure in iron ramp-compressed through the α – ε phase transition

Single crystal iron was ramp-compressed along the [100] axis at 4 GPa/ns through the α–ϵ phase transformation at 13 GPa. Unlike shock experiments, in these ramp compression experiments the bcc lattice is observed to be nearly isotropically relaxed before the phase transition. There was a mixed α/ϵ phase region starting at ~13 GPa which was observed for 0.75 ns until the peak stress of 18 GPa was reached. In situ x-ray diffraction measurements show the formation of new hcp orientations not reported in shock or quasistatic compression experiments. The new hcp orientations appear to be caused by {10¯11} <10¯1 ¯2> → {¯1011} <¯101¯2> sequential twins that occur during the phase transition. This twinning mechanism relieves the shear strain caused by the bcc-hcp phase transition from the isotropically relaxed bcc phase while subject to uniaxial compression. Furthermore, these results show that in iron the induced microstructure through a phase transition and the phase transition mechanism depend on the loading history.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Heat transfer and transport property contrast effects on the compressible Rayleigh-Taylor instability

In extreme environments, the Rayleigh-Taylor instability (RTI) may occur under large variations in density and temperature and with fluid transport properties strongly dependent on temperature. Direct numerical simulations of the 3D fully compressible RTI are conducted, examining the idealized configuration of a hotter, less dense fluid pushing against a colder, denser fluid. Various temperature ratios and transport property configurations are explored to examine how heat conduction, large variations in transport properties, and sudden changes in transport properties can affect the evolution of the mixing layer. Nonuniform fluid expansion and contraction induced by heat transfer can significantly affect local density differences and overall instability growth, causing profile asymmetries about the initial interface for flow and mixing statistics. The departures from classical self-similar development of the instability along with misalignment between regions of mixing and regions of most intense turbulent activity caused by both heat transfer and transport property contrasts are examined. After sudden changes in fluid transport properties, which may occur as a result of rapid heating (e.g., in inertial confinement fusion), the flow quickly responds and begins to relax towards quasi-self-similar late-time evolution. For many dynamical quantities such as vorticity and dissipation, this late-time evolution resembles that of the configuration that already started with the final transport property magnitudes, suggesting that these quantities depend only on the transport properties and not on past flow history, provided that the density field distributions for the flows remain similar. On the other hand, the mixing evolution after the transport property change is unique, implying that both property magnitudes and previous history are impactful on the mixing. In conclusion, these simulations demonstrate how various temperature-related effects are extremely important to consider in compressible RTI flows with large temperature variations.

42 ENGINEERING↗

DOE OSTI2021

Joint Topology Identification and State Estimation in Unobservable Distribution Grids

Many distribution system operations (e.g., state estimation, control, fault detection/localization) rely on the assumption that the underlying topology is accurately defined. In general, topology identification is a challenging problem in distribution systems as these systems are unobservable with a very limited number of available measurements. In this paper, we tackle this problem by designing a compressive sensing framework that jointly estimates the systems states and network topology via an integrated mixed integer nonlinear program (MINLP) formulation. Here, two reformulations of the original MINLP problems are investigated. Firstly, in order to remove the nonlinearity in the MINLP formulation, a mixed integer linear programming (MILP) problem that employs auxiliary variables is derived. Furthermore, to achieve a faster solution, convex relaxation of the original formulation is derived. Finally, using a Markovian model for topology changes, prior information about system topology is used to improve topology identification particularly when a limited amount of measurements is available. Simulation results on IEEE 37-bus test feeder and IEEE 123-bus test feeder illustrate the efficiency and scalability of the proposed approaches from both state estimation and topology identification point of view (even with 30% of available data).

42 ENGINEERING↗

DOE OSTI2021

Distribution of rare earth elements in the pilot-scale processing of fly ashes derived from eastern Kentucky coals: Comparisons of the feed and processed ashes

Beneficiated fly ash from the combustion of Central Appalachian high volatile bituminous coals was extracted with HNO 3 in a pilot-scale processing plant. Several major oxides (notably CaO and SO 3 , but also including Fe 2 O 3 , MgO, K 2 O, and P 2 O 5 ) and minor elements (Mn, As, Sr, Ba, and Pb) are depleted in the post-HNO 3 -extraction spent ash. The total lanthanides, Y, and Sc concentration is reduced by about 20% in the spent ash, with Gd showing the greatest decrease. Along with Gd, Nd and Dy are also well differentiated between the feed and spent ashes, with La and Sm showing minimal partitioning. The Gd decrease is correlated with the depletion of Fe 2 O 3 . The heavy rare earth elements (REE heavier than Eu) and Y are disproportionately concentrated in the HNO 3 -leachate compared to the light REE. For the ashes studied, Sc did not partition between the feed and spent ashes. Pozzolanicity tests show that the compressive strength and strength activity indices of the spent ash + ordinary Portland cement (OPC) mixes are comparable to 100% OPC, indicating that the spent ashes produced in the pilot-scale runs have the potential to be sold as a Class F fly ash. Finally, the beneficiated ash chemistry influences the chemistry of the post-HNO 3 -extraction spent ash and the HNO 3 -leachate. A 500-ppm-REE fly ash will presumably be a more economically favorable feedstock than an ash with a significantly lesser concentration.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

Modeling ablator grain structure impacts in ICF implosions

High-density carbon is a leading ablator material for inertial confinement fusion (ICF). This and some other ablator materials have grain structure which is believed to introduce very small-scale (~nm) density inhomogeneity. In principle, such inhomogeneity can affect key ICF metrics like fuel compression and yield, by, for example, acting as a seed for instabilities and inducing mix between ablator and fuel. However, assessments of such effects are uncertain due to the difficulty of modeling this small-scale structure in ICF simulations, typically requiring reduced-resolution modeling that scales these features. We present a grain model and show both the impact of de-resolving grains and the complex mixing dynamics such structures can induce. We find that different methods for de-resolving grains can yield both different total deposition of kinetic energy perturbations and different fuel–ablator mixing. We then show a simple-to-implement approach for approximately conserving the deposition of perturbed kinetic energy and demonstrate that, for the present grain model and test cases, this approach yields a reasonably matched time history of mix width between less and more resolved grain models. The simulations here also demonstrate the complex interaction history between grain-induced mixing and instability around the fuel–ablator interface, showing, for example, that the grain-induced perturbations typically trigger instability of conduction-driven density gradients in the DT fuel, enhancing mix penetration early in the acceleration of the shell. Furthermore simulating both microscale and nanoscale grains, we find initial evidence for larger mixing in the microscale case of the present model, despite smaller deposited kinetic energy perturbation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

High Energy Density Physics of Inertial Confinement Fusion Ablator Materials (Final Technical Report)

The goal of this project was to conduct dynamic compression experiments and predictive simulations to reveal the fundamental high-energy-density (HED) physics of amorphous carbon. These results are essential for assessing amorphous carbon as a potential ablator material for next generation of inertial confinement fusion (ICF) capsules. We made significant progress in exploring the HED properties of amorphous carbon through experiments at Omega EP Laser and the European XFEL, in addition to billion-atom, quantum-accurate molecular dynamics (MD) simulations. Through our joint experimental and simulation program, we mapped the phase diagram of amorphous carbon, uncovering its range of metastability and identifying phase transitions to diamond and liquid carbon along the Hugoniot and at higher pressures using double shock compression pathways. Our findings indicate that amorphous carbon melts at significantly lower shock pressures than high-density carbon (diamond). However, nanocrystalline diamond nucleates across a broad range of pressures and temperatures. This emergence of the nanocrystalline microstructure during compression can negatively impact the planarity of the shock front and potentially trigger ablator/fuel mixing during Inertial Fusion Energy (IFE) applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1978

Design theory and performance of cryogenic molecular adsorption refrigeration systems

Closed-cycle operation of molecular adsorption refrigeration systems (MARS) has been demonstrated by using thermally cycled zeolites to adsorb and desorb various gases under pressures of 20-60 atm. This paper develops three aspects of the design theory: the physical theory of molecular adsorption of small molecules such as A, N2, N2O and NH3, the design relations for closed-cycle flow for three or more compressors, and the coefficient of performance. This work is intended to demonstrate nonmechanical gas compression for various cryogenic gases than can compete with mechanical systems with a different mix of advantages and disadvantages.

Hartwig, W. H.↗

NASA NTRS2002

Analysis of Graphite-Reinforced Cementitious Composites

Strategically embedding graphite meshes in a compliant cementitious matrix produces a composite material with relatively high tension and compressive properties as compared to steel-reinforced structures fabricated from a standard concrete mix. Although these composite systems are somewhat similar, the methods used to analyze steel-reinforced composites often fail to characterize the behavior of their more advanced graphite-reinforced counterparts. This Technical Memorandum describes some of the analytical methods being developed to determine the deflections and stresses in graphite-reinforced cementitious composites. It is initially demonstrated that the standard transform section method fails to provide accurate results when the elastic moduli ratio exceeds 20. An alternate approach is formulated by using the rule of mixtures to determine a set of effective material properties for the composite. Tensile tests are conducted on composite samples to verify this approach. When the effective material properties are used to characterize the deflections of composite beams subjected to pure bending, an excellent agreement is obtained. Laminated composite plate theory is investigated as a means for analyzing even more complex composites, consisting of multiple graphite layers oriented in different directions. In this case, composite beams are analyzed using the laminated composite plate theory with material properties established from tensile tests. Then, finite element modeling is used to verify the results. Considering the complexity of the samples, a very good agreement is obtained.

Vaughan, R. E.↗

NASA NTRS2016

Micro Acoustic Resonant Chambers for Heating/Agitating/Mixing (MARCHAM)

A variety of applications require the mixing and/or heating of a slurry made from a powder/fluid mixture. One of these applications, Sub Critical Water Extraction (SCWE), is a process where water and an environmental powder sample (sieved soil, drill cuttings, etc.) are heated in a sealed chamber to temperatures greater than 200 degrees Celsius by allowing the pressure to increase, but without reaching the critical point of water. At these temperatures, the ability of water to extract organics from solid particulate increases drastically. This paper describes the modeling and experimentation on the use of an acoustic resonant chamber which is part of an amino acid detection instrument called Astrobionibbler [Noell et al. 2014, 2015]. In this instrument we use acoustics to excite a fluid- solid fines mixture in different frequency/Amplitude regimes to accomplish a variety of sample processing tasks. Driving the acoustic resonant chamber at lower frequencies can create circulation patterns in the fluid and mixes the liquid and fines, while driving the chamber at higher frequencies one can agitate the fluid and powder and create a suspension. If one then drives the chamber at high amplitude at resonance heating of the slurry occurs. In the mixing and agitating cell the particle levitation force depends on the relative densities and compressibility’s of the particulate and fluid and on the kinetic and potential energy densities associated with the velocity and pressure fields [Glynne-Jones, Boltryk and Hill 2012] in the cell. When heating, the piezoelectric transducer and chamber is driven at high power in resonance where the solid/fines region is modelled as acoustic transmission line with a large loss component. In this regime, heat is pumped into the solution/fines mixture and rapidly heats the sample. We have modeled the piezoelectric transducer/chamber/ sample using Mason’s equivalent circuit. In order to assess the validity of the model we have built and tested a variety of chambers. This paper describes the experimental results which are in general agreement with theory within the limitations of the modeling.

fluid particle interaction↗

NASA NTRS1991

Stellar turbulent convection - A new model and applications

Improvements of the mixing-length theory (MLT) of turbulent convection in stellar atmospheres are developed theoretically. It is pointed out that inaccuracies are introduced into MLT by the approximating assumptions of a single large eddy (rather than many eddies of different sizes) and of incompressibility. In the proposed new model, the full spectrum of turbulent eddies is determined using more recent turbulence models (e.g., the eddy-damped quasi-normal Markovian model of Orszag, 1977), and a new formula for the convective flux is obtained which gives values up to 10 times greater than those of the MLT at high convective efficiencies. The problem of compressibility is addressed by adding one of two new expressions (one with no free parameters) for the mixing length. Numerical results from simulations of a solar-type star and a 0.8-solar-mass globular-cluster star are presented in tables and graphs and discussed in detail; the agreement with observations is found to be better than with the MLT.

Canuto, V. M.↗

NASA NTRS1989

The gaseous jet in supersonic crossflow

An analytical/numerical model for the deflection and mixing of a single gaseous jet in a supersonic crossflow is presented. The jet cross-section is described in terms of the compressible vortex pair resulting from viscous and impulsive forces acting at the jet periphery, and the vortex pair data are combined with data for the mass and momentum balance along the jet axis in order to model the trajectory and mixing of the injected fluid. A numerical technique is employed to solve for the inviscid outer flow and the position of the bow shock which envelopes the jet. The model is shown to be capable of predicting overall jet penetration (for perfectly or slightly underexpanded jets) to within 10 percent of experimental findings, while requiring only a few seconds of computer time.

Heister, S. D.↗