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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

FY22 Progress on Multicontinuum Methods in Containment

Estimation of two-phase fluid flow properties is important to understand and predict water and gas movement through the vadose zone for agricultural, hydrogeological, and engineering applications, such as containment transport and/or containment of gases in the subsurface. To estimate rock fluid flow properties and subsequently predict physically realistic processes such as patterns and timing of water, gas, and energy (e.g., heat) movement in the subsurface, laboratory spontaneous water imbibition with simultaneous temperature measurement and numerical modeling methods are presented in the FY22 progress report. A multiple-overlapping-continua conceptual model is used to explain and predict observed complex multi-phenomenological laboratory test behavior during spontaneous imbibition experiments. This report primarily addresses two complexities that arise during the experiments: 1) capturing the late-time behavior of spontaneous imbibition tests with dual porosity; and 2) understanding the thermal perturbation observed at or ahead of the imbibing wetting front, which are associated with adsorption of water in initially dry samples. We use numerical approaches to explore some of these issues, but also lay out a plan for further laboratory experimentation and modeling to best understand and leverage these unique observations.

58 GEOSCIENCES↗
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

Interfacial and Confinement-Mediated Organization of Gas Hydrates, Water, Organic Fluids, and Nanoparticles for the Utilization of Subsurface Energy and Geological Resources

Harnessing the subsurface geologic environments in an efficient and environmentally sustainable manner is challenged by uncertainties associated with predicting the fate of fluids and sustaining porosity and permeability in subsurface geologic environments. Some of these uncertainties arise from confined and interfacially induced structures of fluids in subsurface geologic environments. The formation of gas hydrates, phase transitions of confined fluids, assembly and deposition of heavy hydrocarbons, and the agglomeration and fate of nanoparticles in confined environments are summarized in this review. Nanoscale confinement contributes to anisotropic structures and dynamics of fluids, which is the basis for anomalous phase transition thermodynamics, reactivity, transport, and geomechanical behavior. In this review, we discuss the structures of confined fluids and deviation in observed properties from bulk fluids. The factors influencing the structures of confined fluids can be generally divided into two groups: (a) pore characteristics including pore size, pore surface chemistry, and pore geometry and (b) confined fluid/solid characteristics such as molecular structure, concentrations, charges, pore filling, and presence of additives. Scientific advancements and knowledge gaps in our understanding of the structures of confined fluids and the associated differences in observed properties compared to bulk fluids are discussed. Here, the phenomena discussed in this review are of particular relevance to our efforts in harnessing the subsurface environments for a low carbon future by increasing the utilization of geothermal energy, using CO 2 as a working fluid, and storing CO 2 in subsurface geologic environments.

42 ENGINEERING↗
DOE OSTI2024

Improving the reliability of machine learned potentials for modeling inhomogeneous liquids

The atomic-scale response of inhomogeneous fluids at interfaces and surrounding solute particles plays a critical role in governing chemical, electrochemical, and biological processes. Classical molecular dynamics simulations have been applied extensively to simulate the response of fluids to inhomogeneities directly, but are limited by the accuracy of the underlying interatomic potentials. Here, we use neural network potentials (NNPs) trained to ab initio simulations to accurately predict the inhomogeneous responses of two distinct fluids: liquid water and molten NaCl. Although NNPs can be readily trained to model complex bulk systems across a range of state points, we show that to appropriately model a fluid's response at an interface, relevant inhomogeneous configurations must be included in the training data. In order to sufficiently sample appropriate configurations of such inhomogeneous fluids, we develop protocols based on molecular dynamics simulations in the presence of external potentials. We demonstrate that NNPs trained on inhomogeneous fluid configurations can more accurately predict several key properties of fluids—including the density response, surface tension and size-dependent cavitation free energies—for liquid water and molten NaCl, compared to both empirical interatomic potentials and NNPs that are not trained on such inhomogeneous configurations. This work therefore provides a first demonstration and framework to extract the response of inhomogeneous fluids from first principles for classical density-functional treatment of fluids free from empirical potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Investigation of two-dimensional radio-frequency sheath properties using a microscale fluid model

Abstract In previous work (Kohno and Myra 2023 Comput. Phys. Commun. 291 108841), we developed a numerical scheme based on a two-dimensional microscale radio-frequency (RF) sheath model with periodically curved wall boundaries. Here, we expand the capability of this scheme through modification of the boundary conditions (BCs) on the conducting walls, which allows the ion flow to turn back to the plasma at locations on the walls where the electromagnetic force on the ions is reversed from its usual direction. Numerical simulations are carried out to investigate the dependences of the surface-integrated admittances on the wall bump height, ion magnetization, ion mobility, and the magnetic field angle, and to visualize the sheath structures in several cases. One of the main results is the ion cyclotron admittance resonance observed under the condition of low ion mobility (high normalized frequency). It is shown that the amplitude of the resonance peak depends on the wall bump height and the ion velocity is reversed on the sides of the bump in an RF cycle for the resonance cases. Furthermore, the differences in the admittances between the one- and two-dimensional microscale models are assessed for the purpose of understanding non-locality of the sheath near the wall surface for the parameters considered in this study. This information will be essential for improving the sheath BC for macroscale calculations in the future.

Kohno, H. (ORCID:0000000332690010)↗
DOE OSTI2022

Characterization of the mud displacement in an enlarged wellbore: An integrated rock-fluid model

Cement-mud displacement plays a crucial role in the sealability of cement sheaths. Irregular geometric features of a wellbore due to washout can have a negative impact on mud and cement mobilization. An unstable interface between two fluids always leads to mud channeling, interfluid mixing, and cement contamination, degrading the cement quality. Many factors, such as mechanical and rheological properties of fluids, annulus geometry, flow pattern, and flow rate, significantly influence the displacement efficiency. This study investigates the characterization of the mud displacement in an irregular horizontal well using a 3D computational fluid dynamics (CFD) model. Mud is displaced in an enlarged wellbore by geopolymer and neat class G cement. The wellbore geometry is developed based on the caliper log data from an unconventional shale well in the Tuscaloosa Marine Shale (TMS) lithology. The effects of pump rate, density difference, and mud contamination are evaluated by numerical simulations. The results present those residual muds mainly exist in the upper annulus of the enlarged section. Geopolymer has a better sealing performance and can resist more water-based mud (WBM) contaminations than neat class G cement. The scenario with a low mud-cement density difference and high cement injection rate results in a high cement volume fraction, mitigating the gas migration.

58 GEOSCIENCES↗
DOE OSTI2021

Influence of interfacial responses of Berea Sandstone in low-salinity waterflooding environments

Wetting conditions and fluid-fluid interfacial properties are essential to understanding oil recovery in the context of low-salinity and smart waterflooding. Many have deemed wettability alteration to be the dominant interaction, while some highlight the importance of fluid-fluid interactions. In some rock-fluid systems, benefits from the use of additives can arise to favor hydrocarbon production. Understanding the balance between the fluid-fluid and rock-fluid interactions when utilizing additives is crucial to evaluate benefits in improved efficiency. Ultimately, this understanding will shed light on recovery mechanisms. Regarding oil recovery, previous studies indicate that the injection of a naphthenic acid (NA) blend dissolved in an injection brine improves oil recovery in Berea Sandstone, particularly under low-salinity conditions. Interfacial rheology results for the brine-oil interface correlated well with the recovery response. This observation was speculated to serve as a potential improved recovery mechanism through oil-trapping suppression. However, the said studies did not evaluate potentially concurrent rock wettability alteration during recovery or the initial wetting condition. The purpose of this work is to determine the production behavior in systems with NAs, namely NA-10 (3-Cyclohexanepropinoic acid), NA-14 (Cyclopentane carboxylic acid), NA-18 (Cyclohexane carboxylic acid), and NA-mix (Naphthenic acid mixture), at different initial wetting conditions under spontaneous imbibition. In addition, we tested the NAs ability to alter wettability in Berea Sandstone and determine each “additive’s” capacity to improve recovery. Here, time-domain nuclear magnetic resonance (TD-NMR), contact angle, and Amott cell tests, i.e. spontaneous imbibition, were used to analyze the influence of the selected naphthenic acids on oil displacement under different initial wetting conditions. Our results indicate that individual naphthenic acids indeed have potential as additives in low-salinity waterflooding for oil-wet systems while negatively impacting recovery in water-wet systems. However, results suggest that the evolution of the interfacial properties and wettability conditions are equally important on the recovery behavior.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Arctic soil patterns analogous to fluid instabilities

Significance Slow-moving arctic soils form patterns resembling those found in common fluids, such as paint and cake icing drips. Inspired by fluid instabilities, we develop a conceptual model for soil patterns and use mathematical analysis to predict their wavelength. In particular, we propose that soil patterns arise due to competition between gravity and cohesion or the “stickiness” of soil grains. We compare our theoretical predictions with a dataset of soil features from Norway, finding that soil patterns are controlled by fluid-like properties as well as climate. Our work provides a physical explanation for a common pattern on both Earth and Mars, with implications for our understanding of landscapes and complex materials composed of both granular and fluid components.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Development of In-Situ Corrosion Kinetics and Salt Property Measurements (Final Technical Report)

The goal of this research is to fill the knowledge gaps of salt properties and gain a fundamental understanding of corrosion mechanisms, thereby to guiding material selections of salts and containment materials. The proposed research is focused on building unique cross-cutting research capabilities that can perform research and analysis relevant to the following three research topics important for Generation 3 Concentrating Solar Power Systems: (1) Material characterization including investigations of fluid thermophysical properties and stability, (2) Durability testing of containment materials, and (3) Corrosion behavior characterization relative to levels of known contaminants (e.g., water and oxygen) in Heat Transfer Fluid (HTF).

14 SOLAR ENERGY↗
DOE OSTI2021

Significance and complications of drilling fluid rheology in geothermal drilling: A review

The harsh downhole conditions of high pressure and high temperature (HPHT) encountered in geothermal wells make the drilling operation challenging. Drilling in such environments requires a special drilling mud formulation with high thermal stability and good rheological properties to fulfill the drilling fluid functions. Therefore, great efforts should be put into selecting the suitable drilling fluid, optimize and monitor the drilling fluid properties throughout drilling operations, and predicting its performance under downhole conditions. Rheological properties significantly impact many drilling parameters such as hole cleaning, fluid and wellbore stability, wellbore hydraulics, torque and drag, and other drilling issues. This paper discusses water-based drilling fluids' flow behavior under HPHT conditions and highlights the significance of fluid rheology in geothermal drilling. The common challenges and complications related to fluid rheology encountered in geothermal drilling are addressed in this paper, such as hole cleaning, wellbore hydraulics, and drilling fluid stability. This article also reviews the recent advances in drilling mud systems, rheology enhancement, and rheological properties measurements at surface and subsurface conditions. Furthermore, the rheology models of drilling fluid at elevated temperatures are reviewed to fully understand their flow behavior and establish a method for drilling engineers to optimize fluid formulations for geothermal drilling.

58 GEOSCIENCES↗
DOE OSTI2025

A code-to-code benchmark for magneto-convection in a horizontal duct

Liquid metals and magnetic fields are used in many technical applications such as metallurgy, crystal growth and nuclear fusion reactors. When an electrically conducting fluid moves in a magnetic environment, electric currents and electromagnetic forces are generated that affect velocity and pressure losses in the flow. These magnetohydrodynamic (MHD) interactions have to be investigated to optimize the engineering processes. The characteristics of MHD flows depend on the geometrical configuration, the strength of the applied magnetic field, the electrical properties of fluid and structural materials and the thermal conditions. In the so-called blankets for fusion reactors, where liquid metals are used to breed the plasma fuel component tritium and to extract the generated heat, magneto-convective flows play a crucial role in determining heat and mass transfer. Therefore, the availability of numerical codes to simulate this type of flow is mandatory and their validation is a necessary step to guarantee the reliability of the results. For that reason, a benchmark problem has been defined to simulate liquid metal flows in a horizontal rectangular duct heated from below and exposed to a non-uniform magnetic field. Results obtained by five research groups using different codes are compared.

benchmark↗
DOE OSTI2021

Synergistic foam stabilization and transport improvement in simulated fractures with polyelectrolyte complex nanoparticles: Microscale observation using laser etched glass micromodels

Inaccessibility to direct pore scale observation in hydrocarbon recovery of tight shale formations poses a great challenge to water-energy nexus initiatives and necessitates the use of high throughput technologies to emulate environmentally friendly processes. Herein, we employ a precise glass micromodel fabrication and visualization method to isolate the supercritical CO 2 bubbles surrounded by CO 2 -water lamella prepared in saline produced water stabilized with molecular complexation of zwitterionic surfactants (ZS) and polyelectrolyte complex nanoparticles (PECNP). The Selective Laser Enhanced Etching (SLE) technique was selected for micromodel simulation of high-pressure flow. Two representative designs, (1) fracture/micro-crack network 28 and (2) fracture/matrix were etched on fused silica glass with a laser printing machine and scCO 2 foam was injected to study the foamability, propagation, stability, and fluid loss properties. The highly monodispersed and uniformly distributed array of scCO 2 bubbles were detected in flow of scCO 2 foam in highly saline brine containing ionic complexes of positively charged PECNPs and ZS, whereas foam flow with the lamella containing ZS in fractures offered a noticeably large and polydisperse array of scCO 2 bubbles. scCO 2 bubble motion and deformation were traced, and local description of foam flow was visually examined. The confined array of scCO 2 bubbles stabilized by ZS in microcracks was affected by bubble growth and coalescence, whereas the super-populated array of monodispersed scC O2 bubbles with lamella containing complexes of PECNP and ZS were able to fill the channels with stable configurations within the timeframe of comparative stability measurements. The ability of complex fluid to prevent the formation damage was evaluated through fluid loss visualization in micromodels. Probing scCO 2 foam transport in homogenous porous media revealed smaller volume leak-off for scCO 2 foam containing PECNP-ZS ionic complexes.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2024

De novo design of modular protein hydrogels with programmable intra- and extracellular viscoelasticity

Relating the macroscopic properties of protein-based materials to their underlying component microstructure is an outstanding challenge. Here, we exploit computational design to specify the size, flexibility, and valency of de novo protein building blocks, as well as the interaction dynamics between them, to investigate how molecular parameters govern the macroscopic viscoelasticity of the resultant protein hydrogels. We construct gel systems from pairs of symmetric protein homo-oligomers, each comprising 2, 5, 24, or 120 individual protein components, that are crosslinked either physically or covalently into idealized step-growth biopolymer networks. Through rheological assessment, we find that the covalent linkage of multifunctional precursors yields hydrogels whose viscoelasticity depends on the crosslink length between the constituent building blocks. In contrast, reversibly crosslinking the homo-oligomeric components with a computationally designed heterodimer results in viscoelastic biomaterials exhibiting fluid-like properties under rest and low shear, but solid-like behavior at higher frequencies. Exploiting the unique genetic encodability of these materials, we demonstrate the assembly of protein networks within living mammalian cells and show via fluorescence recovery after photobleaching (FRAP) that mechanical properties can be tuned intracellularly in a manner similar to formulations formed extracellularly. We anticipate that the ability to modularly construct and systematically program the viscoelastic properties of designer protein-based materials could have broad utility in biomedicine, with applications in tissue engineering, therapeutic delivery, and synthetic biology.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Laboratory Experiments Examining the Effect of Thermal and Mechanical Processes on Hydraulic Transmissivity Evolution

Using laboratory slide-hold-slide experiments, at temperatures from 22 to 200 degrees C, to examine effects of fracture reactivation and quasi-static loading on the evolution of fluid transport properties of simulated fractures in Westerly granite. At all temperatures, the in-plane hydraulic transmissivity consistently decays during hold periods resulting in an overall reduction in transmissivity. During the first three to fifteen hours of an experiment, transmissivity decreases rapidly due to the generation of wear products, development of a sliding surface, and compaction of the resulting gouge. Once the sliding surface has developed, the long-term transmissivity decay rate at 22 and 100 degrees C is significantly lower than the transmissivity decay rate during the initial 3-15 hours of the experiment. However, at 200 degrees C, the decay of hydraulic transmissivity remains high throughout the experiment. The long-term decay of hydraulic transmissivity can be fitted with a power law model with more rapid reduction of hydraulic transmissivity at higher temperature. Periods of sliding on the fracture surface result in transient increases in the transmissivity, due to shear dilation, as is expected for Coulomb materials. These transients are superimposed on the long-term decay. When sliding ceases and a new hold period commences, there is a rapid reduction in transmissivity and return to the long-term rate of transmissivity decay. The rate of decay of the transmissivity transients is inversely correlated with temperature, in contrast to the long-term decay and the expected behavior for processes like subcritical crack growth and indentation creep. The higher decay rates that are observed during the initial 3-15 hours of the tests and following sliding, are associated with times that the porosity of the gouge is expected to be high. The difference in decay rates suggests that when the gouge is driven far from equilibrium by active shearing, densification may be dominated by a different mechanism from long-term compaction.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Parameter estimation from spontaneous imbibition into volcanic tuff

Two-phase fluid flow properties underlie quantitative prediction of water and gas movement, but constraining these properties typically requires multiple time-consuming laboratory methods. The estimation of two-phase flow properties (van Genuchten parameters, porosity, and intrinsic permeability) is illustrated in cores of vitric nonwelded volcanic tuff using Bayesian parameter estimation that fits numerical models to observations from spontaneous imbibition experiments. The uniqueness and correlation of the estimated parameters is explored using different modeling assumptions and subsets of the observed data. The resulting estimation process is sensitive to both moisture retention and relative permeability functions, thereby offering a comprehensive method for constraining both functions. The data collected during this relatively simple laboratory experiment, used in conjunction with a numerical model and a global optimizer, result in a viable approach for augmenting more traditional capillary pressure data obtained from hanging water column, membrane plate extractor, or mercury intrusion methods. This method may be useful when imbibition rather than drainage parameters are sought, when larger samples (e.g., including heterogeneity or fractures) need to be tested that cannot be accommodated in more traditional methods, or when in educational laboratory settings.

58 GEOSCIENCES↗
DOE OSTI2021

Microstructure and water absorption of ancient concrete from Pompeii: An integrated synchrotron microtomography and neutron radiography characterization

There is renewed interest in using advanced techniques to characterize ancient Roman concrete due to its exceptional durability and low-carbon footprint. In the present work, samples were drilled from the “Hospitium” in Pompeii and were analyzed by synchrotron microtomography (μCT) and neutron radiography to study how the microstructure, including the presence of induced cracks, affects their water adsorption. The water distribution and absorptivity were quantified by neutron radiography. The 3D crack propagation, pore size distribution and orientation, tortuosity, and connectivity were analyzed from μCT results using advanced imaging methods. Porosity was also measured by mercury intrusion porosimetry (MIP) as a reference. Ductile fracture patterns were observed once cracks were introduced. Compared to Portland cement mortar/concrete, the Pompeii samples had relatively high porosity, low connectivity, and a similar coefficient of capillary penetration. In addition, permeability was predicted from models based on percolation theory and pore structure data to evaluate the fluid transport properties. Understanding the microstructure of ancient Pompeii concrete is important because it could inspire the development of modern concrete with high durability.

36 MATERIALS SCIENCE↗