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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
DOE OSTI2021

Convergence of micro-geochemistry and micro-geomechanics towards understanding proppant shale rock interaction: A Caney shale case study in southern Oklahoma, USA

As a direct outcome of economic development coupled with an increase in population, global energy demand will continue to rise in the coming decades. Although renewable energy sources are increasingly investigated for optimal production, the immediate needs require focus on energy sources that are currently available and reliable, with a minimal environmental impact; the efficient exploration and production of unconventional hydrocarbon resources is bridging the energy needs and energy aspirations, during the current energy transition period. The main challenges are related to the accurate quantification of the critical rock properties that influence production, their heterogeneity and the multiscale driven physico-chemical nature of rock–fluid interactions. A key feature of shale reservoirs is their low permeability due to dominating nanoporosity of the clay-rich matrix. As a means of producing these reservoirs in a cost-effective manner, a prerequisite is creation of hydraulic fracture networks capable of the highest level of continued conductivity. Fracturing fluid chemical design, formation brine geochemical composition, and rock mineralogy all contribute to swelling-induced conductivity damage. The Caney Shale is an organic-rich, often calcareous mudrock. Many studies have examined the impact that clay has on different kinds of shale productivity but there is currently no data reported on the Caney Shale in relation to horizontal drilling; all reported data on the Caney Shale is on vertical wells which are shallow, compared to an emerging play that is at double the depth. Here, in this work we develop geochemical–geomechanical integration of rock properties at micro-and nanoscales that can provide insights into the potential proppant embedment and its mitigation. The novel methodology amalgamates the following: computed X-ray tomography, scanning electron microscopy, energy dispersive spectroscopy, micro-indentation, and Raman spectroscopy techniques. Here, our results show that due to the multiscale heterogeneity in the Caney Shale, these geochemical and structural properties translate into a variation in mechanical properties that will impact interaction between the proppant and the host shale rock.

03 NATURAL GAS↗
DOE OSTI2021

Fundamental Processes and Practical Considerations of Lead Chalcogenide Mesocrystals Formed via Self-Assembly and Directed Attachment of Nanocrystals at a Fluid Interface

Significant advances in the synthesis and processing of colloidal nanocrystals have given scientists and engineers access to a vast library of building blocks with precisely defined size, shape, and composition. These materials have inspired exciting prospects to enable bottom-up fabrication of programmable materials with properties by design. Successfully assembling and connecting the building blocks into superstructures in which constituent nanocrystals can purposefully interact requires robust understanding of and control over a complex interplay of dynamic physicochemical processes. Fluid interfaces provide an advantageous experimental workbench to both probe and control these processes. Despite the ostensible simplicity of fabricating nanocrystal assemblies at a fluid interface, sensitivity to processing conditions and limited reproducibility have underscored the complexity of this process. In situ studies have provided mechanistic insights into the competing dynamics of key subprocesses including solvent spreading and evaporation, superlattice formation, ligand detachment kinetics, and nanocrystal attachment. Understanding how these subprocesses influence the complex choreography of self-assembly, structure transformation, and oriented attachment processes presents a rich research challenge. In this context, we present a detailed methodology for self-assembly and attachment of lead chalcogenide nanocrystals at a liquid–gas interface as a model system for the fabrication of mono- and multilayer cubic connected superlattices. We discuss key experimental parameters such as the characteristics of the building blocks and processing conditions and detailed steps from colloidal nanocrystal injection to superlattice transfer. Furthermore, we hope that this Methods/Protocols paper will provide guidance for future advances in the exciting path toward bringing the prospect of nanocrystal-based programmable materials to fruition.

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

Measuring local volume fraction, long-wavelength correlations, and fractionation in a phase-separating polydisperse fluid

We dynamically simulate fractionation (partitioning of particle species) during spinodal gas-liquid separation of a size-polydisperse colloid, using polydispersity up to ∼40% and a skewed parent size distribution. We introduce a novel coarse-grained Voronoi method to minimise size bias in measuring local volume fraction, along with a variety of spatial correlation functions which detect fractionation without requiring a clear distinction between the phases. These can be applied whether or not a system is phase separated, to determine structural correlations in particle size, and generalise easily to other kinds of polydispersity (charge, shape, etc.). We measure fractionation in both mean size and polydispersity between the phases, its direction differing between model interaction potentials which are identical in the monodisperse case. These qualitative features are predicted by a perturbative theory requiring only a monodisperse reference as input. The results show that intricate fractionation takes place almost from the start of phase separation, so can play a role even in nonequilibrium arrested states. The methods for characterisation of inhomogeneous polydisperse systems could in principle be applied to experiment as well as modelling.

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

Testing coupled dark energy with large scale structure observation

The coupling between the dark components provides a new approach to mitigate the coincidence problem of cosmological standard model. In this paper, dark energy is treated as a fluid with a constant equation of state, whose coupling with dark matter is Q-bar =3Hξ{sub x}ρ-bar {sub x}. In the frame of dark energy, we derive the evolution equations for the density and velocity perturbations. According to the Markov Chain Monte Carlo method, we constrain the model by currently available cosmic observations which include cosmic microwave background radiation, baryon acoustic oscillation, type Ia supernovae, and fσ{sub 8}(z) data points from redshift-space distortion. The results show the interaction rate in σ regions: ξ{sub x} = 0.00328{sub -0.00328-0.00328-0.00328}{sup +0.000736+0.00549+0.00816}, which means that the recently cosmic observations favor a small interaction rate which is up to the order of 10{sup -2}, meanwhile, the measurement of redshift-space distortion could rule out the large interaction rate in the σ region.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Internal Shock Interactions in Propulsion/Airframe Integrated Three-Dimensional Sidewall Compression Scramjet Inlets

The advantages and design requirements of propulsion/airframe integration for high Mach number flight have led to extensive study of the three-dimensional sidewall compression scramjet inlet in recent years. Recent research publications have indicated testing over a broad range of Mach number (2 to 18) in a variety of test gases, such as air, helium, and tetrafluoromethane. Multiple experimental techniques have been employed to obtain detailed internal shock interaction data, performance data, and inlet starting limits. Computational fluid dynamics has been effectively used for preliminary parametric studies as well as in parallel with experiments to aid in the explanation of unusual or unexpected flow phenomena. Inlets of this genre afford a relatively simple, generic geometry while producing a highly complex, three-dimensional flow field dominated by shock/shock and shock/boundary layer interactions. While the importance of the viscous effects in high speed inlet interactions is recognized, the present work addresses in a parametric fashion the inviscid effects of leading edge sweep, sidewall compression, and inflow Mach number on the internal shock structure in terms of inlet compression and mass capture. In the process, the source of the of the Mach number invariance with leading edge sweep for a constant sidewall compression class of inlet is identified, and a previously undocumented spillage phenomenon in a constant effective wedge angle class of inlets is discussed.

Holland, Scott D.↗
DOE OSTI2025

Planetary waves can activate resonant drag instabilities in 3D dusty gaseous discs

Resonant drag instabilities (RDIs) in protoplanetary discs are driven by the aerodynamic back-reaction of dust on gas and occur when the relative dust-gas motion resonate with a wave mode intrinsic to the gas fluid. Axisymmetric models indicate that the RDI generates filamentary perturbations, leading to grain clumping and planetesimal formation. Motivated by these findings, we investigate the dust–gas interaction in a non-axisymmetric inviscid protoplanetary disc with an embedded low-mass planet ($M_{\mathrm{p}}\in [0.3, 3] \, \rm M_{\oplus }$, here $\, \rm M_{\oplus }$ is the Earth mass). We conduct global 3D high-resolution two-fluid simulations, with the dust being parametrized by the Stokes number $\mathrm{St}\in [0.01,0.5]$. We find that planetary waves (PWs; also known as Rossby waves), which propagate along the downstream separatrices of the horseshoe region, resonate with the streaming motion and trigger the RDI. The consequent development of a global-scale filamentary dust distribution does not sensitively depend on the Stokes number, nor does it depend on the fast dust settling that takes place in an inviscid disc. The rapid onset of this instability, which is comparable to the dynamical orbital time-scale, suppresses the formation of asymmetric structures in the dust in the vicinity of the planet (such as dust voids and filaments). Additionally, we find that the dust feedback enables buoyancy resonances in an otherwise non-buoyant (globally isothermal) disc. Therefore, our results provide the first numerical evidence of RDIs generation driven by planetary waves.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Vortical Flows Research Program of the Fluid Dynamics Research Branch

The research interests of the staff of the Fluid Dynamics Research Branch in the general area of vortex flows are summarized. A major factor in the development of enchanced maneuverability and reduced drag by aerodynamic means is the use of effective vortex control devices. The key to control is the use of emerging computational tools for predicting viscous fluid flow in close coordination with fundamental experiments. In fact, the extremely complex flow fields resulting from numerical solutions to boundary value problems based on the Navier-Stokes equations requires an intimate relationship between computation and experiment. The field of vortex flows is important in so many practical areas that a concerted effort in this area is justified. A brief background of the research activity undertaken is presented, including a proposed classification of the research areas. The classification makes a distinction between issues related to vortex formation and structure, and work on vortex interactions and evolution. Examples of current research results are provided, along with references where available. Based upon the current status of research and planning, speculation on future research directions of the group is also given.

Source record↗
NASA NTRS2004

Rotor Airloads Prediction Using Loose Aerodynamic Structural Coupling

This work couples a computational fluid dynamics (CFD) code and rotorcraft computational structural dynamics (CSD) code to calculate helicopter rotor airloads across a range of flight conditions. An iterative loose (weak) coupling methodology is used to couple the CFD and CSD codes on a per revolution, periodic basis. The CFD uses a high fidelity, Navier-Stokes, overset grid methodology with first principles-based wake capturing. Modifications are made to the CFD code for aeroelastic analysis. For a UH-60A Blackhawk helicopter, four challenging level flight conditions are computed: 1) low speed (u = 0.15) with blade-vortex interaction, 2) high speed (u = 0.37) with advancing blade negative lift, 3) high thrust with dynamic stall (u = 0.24), and 4) hover. Results are compared with UH-60A Airloads Program fight test data. Most importantly, for all cases the loose coupling methodology is shown to be stable, convergent, and robust with full coupling of normal force, pitching moment, and chord force. In comparison with flight test data, normal force and pitching moment magnitudes are in good agreement. For the high speed and dynamic stall cases a phase lag in comparison with the data is seen, nonetheless, the shapes of the curves are very good. Overall, the results are noteworthy improvement over lifting line aerodynamics used in rotorcraft comprehensive codes.

Potsdam, Mark↗
NASA NTRS2011

Modeling Powered Aerodynamics for the Orion Launch Abort Vehicle Aerodynamic Database

Modeling the aerodynamics of the Orion Launch Abort Vehicle (LAV) has presented many technical challenges to the developers of the Orion aerodynamic database. During a launch abort event, the aerodynamic environment around the LAV is very complex as multiple solid rocket plumes interact with each other and the vehicle. It is further complicated by vehicle separation events such as between the LAV and the launch vehicle stack or between the launch abort tower and the crew module. The aerodynamic database for the LAV was developed mainly from wind tunnel tests involving powered jet simulations of the rocket exhaust plumes, supported by computational fluid dynamic simulations. However, limitations in both methods have made it difficult to properly capture the aerodynamics of the LAV in experimental and numerical simulations. These limitations have also influenced decisions regarding the modeling and structure of the aerodynamic database for the LAV and led to compromises and creative solutions. Two database modeling approaches are presented in this paper (incremental aerodynamics and total aerodynamics), with examples showing strengths and weaknesses of each approach. In addition, the unique problems presented to the database developers by the large data space required for modeling a launch abort event illustrate the complexities of working with multi-dimensional data.

Chan, David T.↗
DOE OSTI2022

Transport of polymer-coated metal–organic framework nanoparticles in porous media

Abstract Injecting fluids into deep underground geologic structures is a critical component to development of long-term strategies for managing greenhouse gas emissions and facilitating energy extraction operations. Recently, we reported that metal–organic frameworks are low-frequency, absorptive-acoustic metamaterial that may be injected into the subsurface to enhance geophysical monitoring tools used to track fluids and map complex structures. A key requirement for this nanotechnology deployment is transportability through porous geologic media without being retained by mineral-fluid interfaces. We used flow-through column studies to estimate transport and retention properties of five different polymer-coated MIL-101(Cr) nanoparticles (NP) in siliceous porous media. When negatively charged polystyrene sulfonate coated nanoparticles (NP-PSS-70K) were transported in 1 M NaCl, only about 8.4% of nanoparticles were retained in the column. Nanoparticles coated with polyethylenimine (NP-PD1) exhibited significant retention (> 50%), emphasizing the importance of complex nanoparticle-fluid-rock interactions for successful use of nanofluid technologies in the subsurface. Nanoparticle transport experiments revealed that nanoparticle surface characteristics play a critical role in nanoparticle colloidal stability and as well the transport.

58 GEOSCIENCES↗
NASA NTRS2026

Development of a One-Domain Volume-Averaged Navier–Stokes Solver

The interaction between a high-enthalpy flow and a thermal protection material is inherently multiscale and multiphysics. In conventional aerothermal analyses, the external flow and material response are generally modeled using separate computational domains coupled through boundary conditions at the material surface. Although this approach has supported many practical applications, it requires assumptions about the location and behavior of the interface and may become difficult to apply when material decomposition, internal reactions, and surface recession substantially alter the porous structure. This report presents the development of a one-domain formulation in which the free-fluid and porous-material regions are represented within a single computational domain. The formulation is based on the volume-averaged Navier–Stokes (VANS) equations, derived from the governing equations for reacting, compressible flow and condensed material. Volume averaging transfers the influence of the unresolved material microstructure to the macroscale equations through effective transport properties, interfacial source terms, and dispersion fluxes. Particular attention is given to regions in which porosity and permeability vary rapidly, including the diffuse transition between a porous material and the surrounding fluid. The resulting equations are implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO). The report describes the pressure–velocity coupling strategy used by the solver, examines spatial filtering techniques for deriving effective properties, and evaluates the influence of a smoothly varying interface permeability. Numerical demonstrations include canonical porous-flow configurations, a flow-tube configuration representative of FiberForm® permeability experiments, and the oxidation of a porous carbon material. The purpose of this work is to establish a mathematical and computational foundation for a unified treatment of flow and thermal protection material response. The present formulation is intended to support the progressive inclusion of additional physical processes, including multicomponent transport, finite-rate gas–surface chemistry, pyrolysis, internal oxidation, and material recession. It also provides a framework for connecting pore-scale simulations and microstructural characterization with macroscale aerothermal-response calculations. This report is intended for researchers and engineers working in computational fluid dynamics, porous-media transport, material response, and thermal protection system modeling. It documents both the theoretical development and the initial numerical assessment of the one-domain approach, while identifying the closure of effective and dispersion terms as an important subject for continued investigation.

Ablation↗
DOE OSTI2020

Probing the Core–Shell Organization of Nanoconfined Methane in Cylindrical Silica Pores Using In Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations

Determining the structure of nanoconfined fluids is essential for predicting the fate of these fluids in subsurface geologic formations with nanoporous features and for engineering novel nanoporous materials for storing compressed gases. In this study, we probe the structure of nanoconfined methane at pressures in the range of 15–100 bar using in situ small-angle neutron scattering (SANS) measurements and molecular dynamics (MD) simulations. The structure of methane is probed in MCM-41 and SBA-15 with cylindrical pores and diameters of 3.3 and 6.8 nm, respectively. In situ SANS measurements and MD simulations showed that the confined methane molecules are organized in a core–shell structure, with the shell arising from the adsorption of methane molecules on the silica surface. The shell thicknesses of the adsorbed deuterated methane (CD4) molecules in MCM-41 obtained by SANS measurements are 1.4 ± 0.5, 2.1 ± 0.1, 3.2 ± 0.8, 4.0 ± 0.3, and 6.0 ± 0.7 Å at equilibrated pressures of 15.6, 35.6, 55.5, 73.3, and 95.7 bar, respectively. The shell thicknesses of the adsorbed CD4 layer in SBA-15 pores are 2.7 ± 0.5, 4.3 ± 0.7, 6.6 ± 0.7, 10.2 ± 0.3, and 14.6 ± 0.8 Å at equilibrated pressures of 15.5, 32.7, 52.4, 70, and 99.5 bar, respectively. These experimental results are in close agreement with the results predicted from MD simulations. Adsorption of methane molecules on the silica surfaces is primarily driven by van der Waals interactions between the methane molecules and the hydroxyl groups on the silica surface, while electrostatic interactions play a minor role. In conclusion, the experimental and simulation approaches described in this study provide fundamental insights into the organization of confined gases using methane as a specific example in the context of compressed fluid storage in natural and engineered materials for adaptive energy use.

03 NATURAL GAS↗
DOE OSTI2017

Helicity transformation under the collision and merging of two magnetic flux ropes

Magnetic helicity has become a useful tool in the analysis of astrophysical plasmas. Its conservation in the magnetohydrodynamic limit (and other fluid approaches) constrains the global behavior of large plasma structures. One such astrophysical structure is a magnetic flux rope: a tube-like, current-carrying plasma embedded in an external magnetic field. Bundles of these ropes are commonly observed in the near-earth environment and solar atmosphere. In this well-diagnosed experiment (three-dimensional measurements of n e , T e , V p , B, J, E, and u flow ), two magnetic flux ropes are generated in the Large Plasma Device at UCLA. These ropes are driven kink-unstable to trigger complex motion. As they interact, helicity conservation is examined in regions of reconnection. We examine (1) the transport of helicity and (2) the dissipation of the helicity. As the ropes move and the topology of the field lines diverge, a quasi-separatrix layer (QSL) is formed. As the QSL forms, magnetic helicity is dissipated within this region. Here, at the same time, there is an influx of canonical helicity into the region such that the temporal derivative of magnetic helicity is zero

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Turbulent mixing of a slightly supercritical van der Waals fluid at low-Mach number

Supercritical fluids near the critical point are characterized by liquid-like densities and gas-like transport properties. These features are purposely exploited in different contexts ranging from natural products extraction/fractionation to aerospace propulsion. Large part of studies concerns this last context, focusing on the dynamics of supercritical fluids at high Mach number where compressibility and thermodynamics strictly interact. Despite the widespread use also at low Mach number, the turbulent mixing properties of slightly supercritical fluids have still not investigated in detail in this regime. This topic is addressed here by dealing with Direct Numerical Simulations of a coaxial jet of a slightly supercritical van der Waals fluid. Since acoustic effects are irrelevant in the low Mach number conditions found in many industrial applications, the numerical model is based on a suitable low-Mach number expansion of the governing equation. According to experimental observations, the weakly supercritical regime is characterized by the formation of finger-like structures – the so-called ligaments – in the shear layers separating the two streams. The mechanism of ligament formation at vanishing Mach number is extracted from the simulations and a detailed statistical characterization is provided. Ligaments always form whenever a high density contrast occurs, independently of real or perfect gas behaviors. The difference between real and perfect gas conditions is found in the ligament small-scale structure. More intense density gradients and thinner interfaces characterize the near critical fluid in comparison with the smoother behavior of the perfect gas. A phenomenological interpretation is here provided on the basis of the real gas thermodynamics properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Magnetohydrodynamic MACH Code Used to Simulate Magnetoplasmadynamic Thrusters

The On-Board Propulsion program at the NASA Glenn Research Center is utilizing a state of-the-art numerical simulation to model the performance of high-power electromagnetic plasma thrusters. Such thrusters are envisioned for use in lunar and Mars cargo transport, piloted interplanetary expeditions, and deep-space robotic exploration of the solar system. The experimental portion of this program is described in reference 1. This article describes the numerical modeling program used to guide the experimental research. The synergistic use of numerical simulations and experimental research has spurred the rapid advancement of high-power thruster technologies for a variety of bold new NASA missions. From its inception as a U.S. Department of Defense code in the mid-1980's, the Multiblock Arbitrary Coordinate Hydromagnetic (MACH) simulation tool has been used by the plasma physics community to model a diverse range of plasma problems--including plasma opening switches, inertial confinement fusion concepts, compact toroid formation and acceleration, z-pinch implosion physics, laser-target interactions, and a variety of plasma thrusters. The MACH2 code used at Glenn is a time-dependent, two-dimensional, axisymmetric, multimaterial code with a multiblock structure. MACH3, a more recent three-dimensional version of the code, is currently undergoing beta tests. The MACH computational mesh moves in an arbitrary Lagrangian-Eulerian (ALE) fashion that allows the simulation of diffusive-dominated and dispersive-dominated problems, and the mesh can be refined via a variety of adaptive schemes to capture regions of varying characteristic scale. The mass continuity and momentum equations model a compressible viscous fluid, and three energy equations are used to simulate nonthermal equilibrium between electrons, ions, and the radiation field. Magnetic fields are modeled by an induction equation that includes resistive diffusion, the Hall effect, and a thermal source for magnetic fields. Various models of plasma resistivity are included, along with ablation models and multiport circuit solvers. The set of equations is closed using either an ideal gas or real equation of state.

Mikellides, Pavlos G.↗
NASA NTRS1975

Two dimensional turbulence in inviscid fluids or guiding center plasmas

Analytic theory for two-dimensional turbulent equilibria for the inviscid Navier-Stokes equations is examined mathematically. Application of the technique to electrostatic guiding center plasma is discussed. A good fit is demonstrated for the approach to a predicted energy per Fourier mode obtained from a two-temperature canonical ensemble. Negative as well as positive temperature regimes are explored. Fluctuations about the mean energy per mode also compare well with theory. In the regime of alpha less than zero, beta greater than zero, with the minimum value of alpha plus beta times k squared near zero, contour plots of the stream function reveal macroscopic vortex structures similar to those seen previously in discrete vortex simulations. Eulerian direct interaction equations, which can be used to follow the approach to inviscid equilibrium, are derived.

Seyler, C. E., Jr.↗
DOE OSTI2023

Investigation of Farm-to-Farm Interactions and Blockage Effects from AWAKEN using Large-Scale Numerical Simulations

A large-scale numerical computation of five wind farms was performed as a part of the American Wake Experiment (AWAKEN). This high-fidelity computation used the ExaWind/AMR-Wind LES solver to simulate a 100km × 100km domain containing 541 turbines under unstable atmospheric conditions matching previous measurements. The turbines were represented by Joukowski and OpenFAST coupled actuator disk models. Results of this qualitative comparison illustrate the interactions with wind farms with large scale ABL structures in the flow, as well as the extent of downstream wake penetration in the flow and blockage effects around wind farms.

Cheung, Lawrence C.↗