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DOE OSTI2022

Machine learning-assisted upscaling analysis of reservoir rock core properties based on micro-computed tomography imagery

Optimum solutions for geologic modeling and reservoir simulation in industries such as oil and gas recovery and carbon capture and storage require accurate characterization of reservoir properties, which are often heterogeneous. In this study, high-quality micro-computed tomography (CT) images (1.475-μm/pixel resolution) of a sandstone core acquired from the Bell Creek oil field, USA, were used to provide nondestructive analysis of pore- and core-scale heterogeneity across measurement scales of 94–566 μm. In addition to characterizing the as-received sample, the core sample was flooded with brine to evaluate the capacity of the core sample to receive injected fluids. The micro-CT images were systematically segmented into pore spaces and grains via machine learning (ML) steps including image preprocessing, label creation using a traditional ML method based on limited manual image annotation, and finally U-Net segmentation. The segmented image stacks were reconstructed into digital cubes of various scales of voxel lengths. The 3D porosity values were calculated for all the digital cubes, and the fractal dimensions of the cubes were estimated using a box-counting method. The results showed that smaller cubes had greater heterogeneity and that the porosity values could be accurately estimated by fractal dimension and voxel lengths using ML models. For the core sample with brine flooding, the ratio of pores filled by brine to the total pore space was related to the porosity and could also be accurately estimated by porosity, fractal dimension, and voxel lengths using ML models. In conclusion, the results of this study demonstrate that the concept of fractal dimension can be a useful vector to perform upscaling analysis of sandstone rock heterogeneity from the pore to core scale and that fractal dimensions can be used to estimate porosity values and pore space-filling capacity across those scales.

58 GEOSCIENCES↗

DOE OSTI2023

Motion of a viscous slug on heterogeneous surfaces: crossover from stick–slip to steady sliding

We present a theoretical study of viscous slug motion inside a microscopically rough capillary tube, where pronounced stick–slip motion can emerge at slow displacement rates. The mathematical description of this intermittent motion can be reduced to a system of ordinary differential equations, which also describe the motion of a pendulum inside a fluid-filled rotating drum. We use this analogy to show that the stick–slip motion transitions to steady sliding at high displacement rates. We characterize this crossover with a simple scaling relation and show that the crossover is accompanied by a shift in the dominant energy dissipation mechanisms within the system.

Mechanics↗

DOE OSTI2020

A novel, magnetically driven convergent Richtmyer–Meshkov platform

Here, we introduce a novel experimental platform for the study of the Richtmyer–Meshkov instability in a cylindrically converging geometry using a magnetically driven cylindrical piston. Magnetically driven solid liner implosions are used to launch a shock into a liquid deuterium working fluid and, ultimately, into an on-axis rod with a pre-imposed perturbation. The shock front trajectory is tracked through the working fluid and up to the point of impacting the rod through the use of on axis photonic Doppler velocimetry. This configuration allows for precise characterization of the shock state as it impacts the perturbed rod interface. Monochromatic x-ray radiography is used to measure the post-shock interface evolution and rod density profile. The ALEGRA MHD model is used to simulate the dynamics of the experiment in one dimension. We show that late in time the perturbation growth becomes non-linear as evidenced by the observation of high-order harmonics, up to n = 5. Two dimensional simulations performed using a combination of the GORGON MHD code and the xRAGE radiation hydrodynamics code suggest that the late time non-linear growth is modified by convergence effects as the bubbles and spikes experience differences in the pressure of the background flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Modeling the Nonlinear Rheology of Polymer Additive Manufacturing

This report summarizes molecular and continuum simulation studies focused on developing physics - based predictive models for the evolution of polymer molecular order during the nonlinear processing flows of additive manufacturing. Our molecular simulations of polymer elongation flows identified novel mechanisms of fluid dissipation for various polymer architectures that might be harnessed to enhance material processability. In order to predict the complex thermal and flow history of polymer realistic additive manufacturing processes, we have developed and deployed a high - performance mesh - free hydrodynamics module in Sandia's LAMMPS software. This module called RHEO – short for Reproducing Hydrodynamics and Elastic Objects – hybridizes an updated - Lagrange reproducing - kernel method for complex fluids with a bonded particle method (BPM) to capture solidification and solid objects in multiphase flows. In combination, our two methods allow rapid, multiscale characterization of the hydrodynamics and molecular evolution of polymers in realistic processing geometries.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Initial use of Nek5000/Cardinal to improve closure models in Pronghorn

Heat transfer coefficient closure models for pebble bed reactors are built using a data-driven approach by leveraging the capabilities of an Evolutionary Algorithm entitled Particle Swarm Optimization (PSO). In the present work, the Computational Fluid Dynamics code nekRS was used in order to collect the high-fidelity flow data for a core with 1,568 pebbles. To characterize the heat transfer, multiple concentric regions were considered to extract the physical quantities of interest, e.g./ the Reynolds number. The PSO algorithm is employed as part of an inverse problem targeting determine what are the coefficients for a Nusselt number correlation to match the collected data. Such correlation should follow any given format that is defined a priori. Finally, two correlations are proposed, one with an implicit dependence on the pebbles’ wall temperatures and another expressed as a fully explicit correlation depending on the flow conditions and the position within the core. Anyway, given the generic nature of the proposed approach, correlations following different formats could be tested. Preliminary results for the high-fidelity simulation of a fast MSR core are presented. The target Reynolds number is currently 20K, with the expectation that this will increase, pending the availability of further computational resources. These simulations will be used to inform lower fidelity models, including a coarse CFD turbulence model in Pronghorn. Additionally, they will serve as a reference for the RANS models in Nek5000/NekRS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1986

Water facilities in retrospect and prospect: An illuminating tool for vehicle design

Water facilities play a fundamental role in the design of air, ground, and marine vehicles by providing a qualitative, and sometimes quantitative, description of complex flow phenomena. Water tunnels, channels, and tow tanks used as flow-diagnostic tools have experienced a renaissance in recent years in response to the increased complexity of designs suitable for advanced technology vehicles. These vehicles are frequently characterized by large regions of steady and unsteady three-dimensional flow separation and ensuing vortical flows. The visualization and interpretation of the complicated fluid motions about isolated vehicle components and complete configurations in a time and cost effective manner in hydrodynamic test facilities is a key element in the development of flow control concepts, and, hence, improved vehicle designs. A historical perspective of the role of water facilities in the vehicle design process is presented. The application of water facilities to specific aerodynamic and hydrodynamic flow problems is discussed, and the strengths and limitations of these important experimental tools are emphasized.

Erickson, G. E.↗

NASA NTRS1994

Evolution of energy-containing turbulent eddies in the solar wind

Previous theoretical treatments of fluid-scale turbulence in the solar wind have concentrated on describing the state and dynamical evolution of fluctuations in the inertial range, which are characterized by power law energy spectra. In the present paper a model for the evolution of somewhat larger, more energetic magnetohydrodynamic (MHD) fluctuations is developed by analogy with classical hydrodynamic turbulence in the quasi-equilibrium range. The model is constructed by assembling and extending existing phenomenologies of homogeneous MHD turbulence, as well as simple two-length-scale models for transport of MHD turbulence in a weekly inhomogeneous medium. A set of equations is presented for the evolution of the turbulence, including the transport and nonlinear evolution of magnetic and kinetic energy, cross helicity, and their correlation scales. Two versions of the model are derived, depending on whether the fluctuations are distributed isotropically in three dimensions or restricted to the two-dimensional plane perpendicular to the mean magnetic field. This model includes a number of potentially important physical effects that have been neglected in previous discussions of transport of solar wind turbulence.

Matthaeus, William H.↗

NASA NTRS1999

Double Diffusive Convection in Materials Processing

A great number of crystals grown in space are plagued by convective motions which contribute to structural flaws. The character of these instabilities is not well understood but is associated with density variations in the presence of residual gravity (g-jitter). As a specific example, past HgCdTe crystal growth space experiments by Lehoczky and co-workers indicate radial compositional asymmetry in the grown crystals. In the case of HgCdTe the rejected component into the melt upon solidification is HgTe which is denser than the melt. The space grown crystals indicate the presence of three dimensional flow with the heavier HgTe-rich material clearly aligned with the residual gravity (0.55-1.55 micro g) vector. This flow stems from double-diffusive convection, namely, thermal and solutal buoyancy driven flow in the melt. The study of double-diffusive convection is multi-faceted and rather vast. In our investigation, we seek to focus on one specific aspect of this discipline that is of direct relevance to materials processing especially crystal growth, namely, the side ways heating regime. This problem has been widely studied, both experimentally and numerically, in the context of solar ponds wherein the system is characterized by a linear salt (solutal) gradient with an imposed lateral temperature gradient. The induced flow instabilities arise from the wide disparity between the fluid thermal diffusivity and the solute diffusivity. The extension of the analysis to practical crystal growth applications has however not been rigorously made and understood. One subtle but important difference in crystal growth systems is the fact that die system solute gradient is non-linear (typically exponential). Besides, the crystal growth problem has the added complexities of solidification, both lateral and longitudinal thermal gradients and segregation phenomena in systems where binary and ternary compounds are being grown. This paper treats the side ways heating problem alone in a model fluid system. Results from detailed numerical calculations, mainly two dimensional are provided. The interactions between a non-linear solute gradient and an imposed transverse thermal gradient are investigated. The buoyancy effects are treated in the traditional Boussinesq approximation and also in a more complete density formulation to address recent concerns of the first approach especially in simulations of the system response in a reduced gravity environment. Detailed flow, temperature and solute field plots along with heat and mass transfer results are presented in the paper. Implications to practical crystal growth systems as discerned from the modeling results are also explored and reported.

Ramachandra, Narayanan↗

NASA NTRS1999

A Multiphase Equation of State for Hydrazine and Monomethylhydrazine

The objective of this work was to obtain a validated equation of state for hydrazine and monomethylhydrazine (MMH) and use this equation to calculate thermodynamic properties. The approach was based on using both reliable critical property values and a value of the acentric factor in the Soave Redlich Kwong and the Peng Robinson model equations of state. These equations were validated by comparing calculated molar volumes for phase equilibrium with published experimental values and comparing calculated vapor pressures with published experimental values over the temperature range appropriate for the corresponding state equations. The equation of state giving the best results was used to calculate enthalpy and entropy departure functions and fugacity values. Additional thermodynamic property calculations were performed to produce partial Mollier diagrams and thermodynamic properties containing internal energy, enthalpy, and entropy values for hydrazine and MMH. The analyses of systems in which either adiabatic or near-adiabatic compression of liquid or vapor hydrazine or low velocity detonations occur require a validated equation of state for representing occurring molar volumes and for energy calculations. Other calculations for thermodynamic properties of hydrazine are available, but the values are for a strict ideal gas state. This work characterized destructive events using hydrazine by calculating for isentropic compression temperatures. The final temperatures were calculated and compared using the ideal and real gas fluid equations of state.

Barragan, Michelle↗

NASA NTRS2007

Automated Knowledge Discovery From Simulators

A computational method, SimLearn, has been devised to facilitate efficient knowledge discovery from simulators. Simulators are complex computer programs used in science and engineering to model diverse phenomena such as fluid flow, gravitational interactions, coupled mechanical systems, and nuclear, chemical, and biological processes. SimLearn uses active-learning techniques to efficiently address the "landscape characterization problem." In particular, SimLearn tries to determine which regions in "input space" lead to a given output from the simulator, where "input space" refers to an abstraction of all the variables going into the simulator, e.g., initial conditions, parameters, and interaction equations. Landscape characterization can be viewed as an attempt to invert the forward mapping of the simulator and recover the inputs that produce a particular output. Given that a single simulation run can take days or weeks to complete even on a large computing cluster, SimLearn attempts to reduce costs by reducing the number of simulations needed to effect discoveries. Unlike conventional data-mining methods that are applied to static predefined datasets, SimLearn involves an iterative process in which a most informative dataset is constructed dynamically by using the simulator as an oracle. On each iteration, the algorithm models the knowledge it has gained through previous simulation trials and then chooses which simulation trials to run next. Running these trials through the simulator produces new data in the form of input-output pairs. The overall process is embodied in an algorithm that combines support vector machines (SVMs) with active learning. SVMs use learning from examples (the examples are the input-output pairs generated by running the simulator) and a principle called maximum margin to derive predictors that generalize well to new inputs. In SimLearn, the SVM plays the role of modeling the knowledge that has been gained through previous simulation trials. Active learning is used to determine which new input points would be most informative if their output were known. The selected input points are run through the simulator to generate new information that can be used to refine the SVM. The process is then repeated. SimLearn carefully balances exploration (semi-randomly searching around the input space) versus exploitation (using the current state of knowledge to conduct a tightly focused search). During each iteration, SimLearn uses not one, but an ensemble of SVMs. Each SVM in the ensemble is characterized by different hyper-parameters that control various aspects of the learned predictor - for example, whether the predictor is constrained to be very smooth (nearby points in input space lead to similar output predictions) or whether the predictor is allowed to be "bumpy." The various SVMs will have different preferences about which input points they would like to run through the simulator next. SimLearn includes a formal mechanism for balancing the ensemble SVM preferences so that a single choice can be made for the next set of trials.

Burl, Michael↗

NASA NTRS2012

Development of a Fluid Structures Interaction Test Technique for Fabrics

Application of fluid structures interaction (FSI) computational techniques to configurations of interest to the entry, descent and landing (EDL) community is limited by two factors - limited characterization of the material properties for fabrics of interest and insufficient experimental data to validate the FSI codes. Recently ILC Dover Inc. performed standard tests to characterize the static stress-strain response of four candidate fabrics for use in EDL applications. The objective of the tests described here is to address the need for a FSI dataset for CFD validation purposes. To reach this objective, the structural response of fabrics was measured in a very simple aerodynamic environment with well controlled boundary conditions. Two test series were undertaken. The first series covered a range of tunnel conditions and the second focused on conditions that resulted in fabric panel buckling.

Zilliac, Gregory G.↗

NASA NTRS2017

Investigation of a Tricarbide Grooved Ring Fuel Element for a Nuclear Thermal Rocket

Deep space exploration, especially that of Mars, is on the horizon as the next big challenge for space exploration. Nuclear propulsion, through which high thrust and efficiency can be achieved, is a promising option for decreasing the cost and logistics of such a mission. Work on nuclear thermal engines goes back to the days of the NERVA program. Currently, nuclear thermal propulsion is under development again in various forms to provide a superior propulsion system for deep space exploration. The authors have been working to develop a concept nuclear thermal engine that uses a grooved ring fuel element as an alternative to the traditional hexagonal rod design. The authors are also studying the use of carbide fuels. The concept was developed in order to increase surface area and heat transfer to the propellant. The use of carbides would also raise the temperature limitations of the reactor. It is hoped that this could lead to a higher thrust to weight nuclear thermal engine. This paper describes the modeling of neutronics, heat transfer, and fluid dynamics of this alternative nuclear fuel element geometry. Fabrication experiments of grooved rings from carbide refractory metals are also presented along with material characterization and interactions with a hot hydrogen environment.

Taylor, Brian D.↗

NASA NTRS2018

Study of a Tricarbide Grooved Ring Fuel Element for Nuclear Thermal Propulsion

Deep space exploration, especially that of Mars, is on the horizon as the next big challenge for space exploration. Nuclear propulsion, through which high thrust and efficiency can be achieved, is a promising option for decreasing the cost and logistics of such a mission. Work on nu- clear thermal engines goes back to the days of the NERVA program. Currently, nuclear thermal propulsion is under development again in various forms to provide a superior propulsion system for deep space exploration. The authors have been working to develop a concept nuclear thermal engine that uses a grooved ring fuel element as an alternative to the traditional hexagonal rod design. The authors are also studying the use of carbide fuels. The concept was developed in order to increase surface area and heat transfer to the propellant. The use of carbides would also raise the operating temperature of the reactor. It is hoped that this could lead to a higher thrust to weight nuclear thermal engine. This paper describes the modeling of neutronics, heat transfer, and fluid dynamics of this alternative nuclear fuel element geometry. Fabrication experiments of grooved rings from carbide refractory metals are also presented along with material characterization and interactions with a hot hydrogen environment. Results of experiments and associated analysis are desired densities with some success in material distribution and reaching a solid solution. Future work is needed to improve distribution of material, minimize oxidation during the milling process, and de ne a fabrication process that will serve for constructing grooved ring fuel rods for large system tests.

Taylor, Brian↗

NASA NTRS2018

Study of a Tricarbide Grooved Ring Fuel Element for Nuclear Thermal Propulsion

Deep space exploration, especially that of Mars, is on the horizon as the next big challenge for space exploration. Nuclear propulsion, through which high thrust and efficiency can be achieved, is a promising option for decreasing the cost and logistics of such a mission. Work on nuclear thermal engines goes back to the days of the NERVA program. Currently, nuclear thermal propulsion is under development again in various forms to provide a superior propulsion system for deep space exploration. The authors have been working to develop a concept nuclear thermal engine that uses a grooved ring fuel element as an alternative to the traditional hexagonal rod design. The authors are also studying the use of carbide fuels. The concept was developed in order to increase surface area and heat transfer to the propellant. The use of carbides would also raise the operating temperature of the reactor. It is hoped that this could lead to a higher thrust to weight nuclear thermal engine. This paper describes the modeling of neutronics, heat transfer, and fluid dynamics of this alternative nuclear fuel element geometry. Fabrication experiments of grooved rings from carbide refractory metals are also presented along with material characterization and interactions with a hot hydrogen environment. Results of experiments and associated analysis are discussed. The authors demonstrated success in reaching desired densities with some success in material distribution and reaching a solid solution. Future work is needed to improve distribution of material, minimize oxidation during the milling process, and define a fabrication process that will serve for constructing grooved ring fuel rods for large system tests.

Taylor, Brian↗

NASA NTRS2000

Determination of Interfacial Rheological Properties through Microgravity Oscillations of Bubbles and Drops

This report summarizes our derivations of analytical expressions for the frequencies and damping constants for small-amplitude axisymmetric shape oscillations of a liquid drop suspended in an immiscible fluid host in microgravity. In particular, this work addresses large Reynolds number shape oscillations and focuses on the surface rheological effects that arise from the presence of insoluble surfactants at the interface. Parameters characterizing viscous effects from the bulk phases, surface viscous effects, Marangoni effects from the surface advection and diffusion of surfactants, and the Gibbs elasticity are all considered and analyzed to determine the relative importance of each contribution. Supplementing the analytical treatment for small-amplitude oscillations, a numerical boundary integral equation formulation is developed for the study of large-amplittide axisymmetric oscillations of a drop in vacuum. The boundary integral formulation is an extension of classical potential flow theory and approximately accounts for viscous effects in the bulk fluid as well as the surface viscous and Marangoni effects resulting from an insoluble surfactant contaminating the interface. Theoretical and numerical results are presented for four distinct cases. These, range from the case when the effects of the surfactants are 'negligible' to 'large' when compared to the viscous effects in the bulk phases. The feasibility of the non-contact measurement of the surface parameters, using experimental observations for the oscillation frequencies and damping constants of drops and bubbles, is discussed.

Nadim, Ali↗

NASA NTRS1983

Pressure letdown method and device for coal conversion systems

In combination with a reactor for a coal utilization system, a pressure letdown device accepts from a reactor, a polyphase fluid at an entrance pressure and an entrance velocity, and discharges the fluid from the device at a discharge pressure substantially lower than the entrance pressure and at a discharge temperature and a discharge velocity substantially equal to the entrance temperature and entrance velocity. The device is characterized by a series of pressure letdown stages including several symmetrical baffles, disposed in coaxially nested alignment. In each baffle several ports or apertures of uniform dimensions are defined. The number of ports or apertures for each baffle plate is unique with respect to the number of ports or apertures defined in each of the other baffles. The mass rate of flow for each port is a function of the area of the port, the pressure of the fluid as applied to the port, and a common pressure ratio established across the ports.

Kendal, J. M.↗

DOE OSTI2023

Subsurface Characterization for Evaluating Geothermal Resource Potential from Existing Oil and Gas Wells in Tuttle, Oklahoma

Oil and gas (O&G) wells often encounter co-produced hot water, possibly suitable for geothermal direct-use applications. The City of Tuttle is located on the eastern part of the Anadarko sedimentary basin in Oklahoma with high heat-in-place potential and recovery capability at depth. This study aims at demonstrating the potential of geothermal energy production for direct-use applications in two public schools and 250 nearby houses in Tuttle via repurposing existing O&G wells. In this scope, geochemistry, geology, and borehole log data were collected and incorporated into a 3D conceptual subsurface model. A digital elevation model (DEM) was used to represent the study area topography with four O&G wells. In addition, hydrogeochemical characteristics of the geothermal fluid and scaling potential were analyzed using ternary diagrams and chemical ratios to develop mixing models. The subsurface geology model indicated that the study area primarily consists of Permian to Mississippian Sandstone and Limestone formations, implying a porosity ranging between 12% and 22%, and a permeability up to 3.90E-14 m2 in certain reservoir levels. The reservoir temperature is expected to be ranging between 80 degrees C to 95 degrees C around 3 km depth with an average temperature gradient of 22.8 degrees C/km. Chemical geothermometers also estimated the reservoir temperature as 90 degrees C. Findings of the chemical model demonstrated that the geothermal fluid is Sodium-Potassium-Chloride-Sulfate type and possibly mixed with shallow groundwater resulting in higher Ca and Mg concentrations and lower Na/K ratio implying lower calcite scaling. These results comprehensively characterize the potential of geothermal resources in the study area and imply that geothermal energy production by repurposing existing O&G wells is suitable for low-temperature direct-use applications.

gas wells↗

DOE OSTI2023

Subsurface Characterization for Evaluating Geothermal Resource Potential from Existing Oil and Gas Wells in Tuttle, Oklahoma: Preprint

GEOTHERMAL ENERGY↗