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DOE OSTI2015

Simulation of Osmotic Swelling by the Stochastic Immersed Boundary Method

We develop here computational methods for the simulation of osmotic swelling phenomena relevant to microscopic vesicles containing transformable solute molecules. We introduce stochastic immersed boundary methods (SIBMs) that can capture osmotically driven fluid transport through semipermeable elastic membranes subject to thermal fluctuations. We further develop numerical methods to handle within SIBMs an elastic shell model for a neo-Hookean material. Our extended SIBM allows for capturing osmotic swelling phenomena driven by concentration changes and interactions between a discrete collection of confined particles while accounting for the thermal fluctuations of the semipermeable membrane and the hydrodynamic transport of solvent. We use our computational methods to investigate osmotic phenomena in regimes that go beyond the classical Van't Hoff theory. We develop statistical mechanics theories for osmotic swelling of vesicles when there are significant interactions between particles that can transform over time. We validate our theoretical results against detailed computational simulations. Our methods are expected to be useful for a wide class of applications allowing for the simulation of osmotically driven flows, thermally fluctuating semipermeable elastic structures, and solute interactions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Progress Toward Molten Salt Reactor Heat Exchanger On-Line Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗

DOE OSTI2016

Raman scattering mediated by neighboring molecules

Raman scattering is most commonly associated with a change in vibrational state within individual molecules, the corresponding frequency shift in the scattered light affording a key way of identifying material structures. In theories where both matter and light are treated quantum mechanically, the fundamental scattering process is represented as the concurrent annihilation of a photon from one radiation mode and creation of another in a different mode. Developing this quantum electrodynamical formulation, the focus of the present work is on the spectroscopic consequences of electrodynamic coupling between neighboring molecules or other kinds of optical center. To encompass these nanoscale interactions, through which the molecular states evolve under the dual influence of the input light and local fields, this work identifies and determines two major mechanisms for each of which different selection rules apply. The constituent optical centers are considered to be chemically different and held in a fixed orientation with respect to each other, either as two components of a larger molecule or a molecular assembly that can undergo free rotation in a fluid medium or as parts of a larger, solid material. The two centers are considered to be separated beyond wavefunction overlap but close enough together to fall within an optical near-field limit, which leads to high inverse power dependences on their local separation. In this investigation, individual centers undergo a Stokes transition, whilst each neighbor of a different species remains in its original electronic and vibrational state. Analogous principles are applicable for the anti-Stokes case. The analysis concludes by considering the experimental consequences of applying this spectroscopic interpretation to fluid media; explicitly, the selection rules and the impact of pressure on the radiant intensity of this process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Active Fluids Form System-Spanning Filamentary Networks

Recent experimental realizations of liquid-liquid phase separation of active liquid crystals have offered an insight into the interaction between phase separation, ubiquitous in soft matter and biology, and chaotic active flows. Here, in this Letter, we use continuum theory to examine phase separation of an active liquid crystal and a passive fluid and report two new results. First, we provide an analytical derivation of the activity-induced suppression of the phase boundary of the coexistence region—a result first reported in simulations and experiments. We show that the shift in the critical point is a result of the balance between self-stirring active flows and phase-separating diffusive fluxes. Second, we show that this same balance is responsible for dramatically changing the morphology of the phase separated state, resulting in the emergence of a new mixed active phase consisting of a dynamical filamentous active network that invades the entire system area, trapping droplets of passive material. This structure exists even for very low volume fractions of active material. Our work provides an important step towards the goal of understanding how to use activity as a new handle for sculpting interfaces.

active nematics↗

DOE OSTI2021

Post-remediation geophysical assessment: Investigating long-term electrical geophysical signatures resulting from bioremediation at a chlorinated solvent contaminated site

There is a growing need to assess long-term impacts of active remediation strategies on treated aquifers. A variety of biogeochemical alterations can result from interactions of the amendment with the aquifer, conceivably leading to a geophysical footprint of the long-term alteration of an aquifer. This concept of post-remediation geophysical assessment was investigated in a shallow, chlorinated solvent-contaminated aquifer six to eight years after amendment delivery. Surface resistivity imaging and cross-borehole resistivity and induced polarization (IP) imaging were performed on a transect that spanned treated and untreated zones of the aquifer. Established relationships between IP parameters and surface electrical conductivity were used to predict vertical profiles of electrolytic conductivity and surface conductivity from the inverted cross-borehole images. Aqueous geochemistry data, along with natural gamma and magnetic susceptibility logs, were used to constrain the interpretation. The electrical conductivity structure determined from surface and borehole imaging was foremost controlled by the electrolytic conductivity of the interconnected pore space, being linearly related to fluid specific conductance. The electrolytic conductivity (and thus the conductivity images alone) did not discriminate between treated and untreated zones of the aquifer. In contrast, inverted phase angles and surface conductivities did discriminate between treated and untreated zones of the aquifer, with the treated zone being up to an order of magnitude more polarizable in places. Supporting aqueous chemistry and borehole logging datasets indicate that this geophysical footprint of the long-term impact of the remediation on the aquifer is most likely associated with the formation of polarizable, dispersed iron sulfide minerals. The study opens the door to the possibility of employing time-lapse electrical geophysical measurements to assist with long-term environmental stewardship of legacy sites undergoing active remediation.

bioremediation↗

DOE OSTI2020

Structure and dynamics of ethane confined in silica nanopores in the presence of CO 2

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (C 2 H 6 ) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of C 2 H 6 and CO 2 at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure C 2 H 6 , C 2 H 6 :CO 2 = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K. Two Lorentzian functions were required to fit the spectra, corresponding to fast and slow translational motions. No localized motions (rotations and vibrations) were detected. Higher pressures resulted in hindrances of the diffusivity of C 2 H 6 molecules in all systems investigated. Pore size was found to be an important factor, i.e., the dynamics of confined C 2 H 6 is more restricted in smaller pores compared to the larger pores used in previous studies. Molecular dynamics simulations were performed to complement the QENS experiment at 65 bars, providing supportive structure information and comparable dynamic information. The simulations indicate that CO 2 molecules are more strongly attracted to the pore surface compared to C 2 H 6 . The C 2 H 6 molecules interacting with or near the pore surface form a dense first layer (L1) close to the pore surface and a second less dense layer (L2) extending into the pore center. Both the experiments and simulations revealed the role that CO 2 molecules play in enhancing C 2 H 6 diffusion (“molecular lubrication”) at high CO 2 :C 2 H 6 ratios. The energy scales of the two dynamic components, fast and slow, quantified by both techniques, are in very good agreement. Herein, the simulations identified the fast component as the main contributor to the dynamics. Molecule motions in the L2 region are mostly responsible for the dynamics (fast and slow) that can be detected by the instrument.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

A laboratory model for the Parker spiral and magnetized stellar winds

Many rotating stars have magnetic fields that interact with the winds they produce. The Sun is no exception. The interaction between the Sun’s magnetic field and the solar wind gives rise to the heliospheric magnetic field – a spiraling magnetic structure, known as the Parker Spiral, which pervades the solar system. This magnetic field is significant for governing plasma processes that source the solar wind. In this work, we report the creation of a laboratory model of the Parker spiral system based on a rapidly-rotating plasma magnetosphere and the measurement of its global structure and dynamic behaviour. This laboratory system exhibits regions where the plasma flows evolve similarly to many magnetized stellar winds. We observe the advection of magnetic field into an Archimedean spiral and the ejection of quasi-periodic plasma blobs into the stellar outflow, which mimics the observed plasmoids that fuel the slow solar wind. This process involves magnetic reconnection and can be modelled numerically by the inclusion of two-fluid effects in the simulation. The Parker spiral system mirrored in the laboratory can be used for studying solar wind dynamics in complementary fashion to conventional space missions such as NASA’s Parker Solar Probe mission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources

This report summarizes the significant findings from the Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources program sponsored by the Department of Energy through the National Energy Technology Laboratory. There were four principle areas of research; Environmental, legal, and policy issues related to development of oil shale and oil sands resources; Economic and environmental assessment of domestic unconventional fuels industry; Basin-scale assessment of conventional and unconventional fuel development impacts; and Liquid fuel production by in situ thermal processing of oil shale Multiple research projects were conducted in each area and the results have been communicated via sponsored conferences, conference presentations, invited talks, interviews with the media, numerous topical reports, journal publications, and a book that summarizes much of the oil shale research relating to Utah’s Uinta Basin. In addition, a repository of materials related to oil shale and oil sands has been created within the University of Utah’s Institutional Repository, including the materials generated during this research program. Below is a listing of all topical and progress reports generated by this project and submitted to the Office of Science and Technical Information (OSTI). A listing of all peer-reviewed publications generated as a result of this project is included at the end of this report; Geomechanical and Fluid Transport Properties 1 (December, 2015); Validation Results for Core-Scale Oil Shale Pyrolysis (February, 2015); and Rates and Mechanisms of Oil Shale Pyrolysis: A Chemical Structure Approach (November, 2014); Policy Issues Associated With Using Simulation to Assess Environmental Impacts (November, 2014); Policy Analysis of the Canadian Oil Sands Experience (September, 2013); V-UQ of Generation 1 Simulator with AMSO Experimental Data (August, 2013); Lands with Wilderness Characteristics, Resource Management Plan Constraints, and Land Exchanges (March, 2012); Conjunctive Surface and Groundwater Management in Utah: Implications for Oil Shale and Oil Sands Development (May, 2012); Development of CFD-Based Simulation Tools for In Situ Thermal Processing of Oil Shale/Sands (February, 2012); Core-Based Integrated Sedimentologic, Stratigraphic, and Geochemical Analysis of the Oil Shale Bearing Green River Formation, Uinta Basin, Utah (April, 2011); Atomistic Modeling of Oil Shale Kerogens and Asphaltenes Along with their Interactions with the Inorganic Mineral Matrix (April, 2011); Pore Scale Analysis of Oil Shale/Sands Pyrolysis (March, 2011); Land and Resource Management Issues Relevant to Deploying In-Situ Thermal Technologies (January, 2011); Policy Analysis of Produced Water Issues Associated with In-Situ Thermal Technologies (January, 2011); and Policy Analysis of Water Availability and Use Issues for Domestic Oil Shale and Oil Sands Development (March, 2010)

04 OIL SHALES AND TAR SANDS↗

NASA NTRS1992

Preliminary efforts toward development of data handling and analysis software for unsteady flow measurements: An application for aeroelastic transonic flow configurations

A few years ago the Structural Dynamics Division at LaRC started ambitious experimental research efforts known as the Benchmark Models Program. The primary objective of this program was to provide experimental data that may serve as a calibration source for computational fluid dynamics (CFD) efforts that deal with aeroelastic unsteady flow configurations. It also focuses on the understanding of complex flow phenomenon associated with unsteady flow developments. The overall plan for the program has been described by Bennett, including a presentation of initial test results of flutter of a rigid wing mounted on flexible supports. An example of a test model employed to measure the dynamic response along with corresponding pressure distributions is shown. This model incorporates eighty pressure transducers distributed along two spanwise stations. In addition, the models are equipped with four accelerometers and two strain gages. The data handling system for the Benchmark Model Program is under development. Several interactive computer routines designed for the user interface, dynamic memory allocation, unsteady flow measurements data extraction, and further data processing were developed. To present a few examples of measured data, the unsteady pressure distributions and the wing model dynamic response were plotted.

Finaish, Fathi↗

DOE OSTI2014

Probing the Degradation Mechanisms in Electrolyte Solutions for Li-ion Batteries by In-Situ Transmission Electron Microscopy

One of the goals in the development of new battery technologies is to find new electrolytes with increased electrochemical stability. In-situ (scanning) transmission electron microscopy ((S)TEM) using an electrochemical fluid cell provides the ability to rapidly and directly characterize electrode/electrolyte interfacial reactions under battery relevant electrochemical conditions. Furthermore, as the electron beam itself causes a localized electrochemical reaction when it interacts with the electrolyte, the breakdown products that occur during the first stages of battery operation can potentially be simulated and characterized using a straightforward in-situ liquid stage (without electrochemical biasing capabilities). In this paper, we have studied the breakdown of a range of inorganic/salt complexes that are used in state-of-the-art Li-ion battery systems. The results of the in-situ (S)TEM experiments matches with previous stability tests performed during battery operation and the breakdown products and mechanisms are also consistent with known mechanisms. This analysis indicates that in-situ liquid stage (S)TEM observations can be used to directly test new electrolyte designs and provide structural insights into the origin of the solid electrolyte interphase (SEI) formation mechanism.

25 ENERGY STORAGE↗

DOE OSTI2014

Large-eddy simulation of turbulent cavitating flow in a micro channel

Large-eddy simulations (LES) of cavitating flow of a Diesel-fuel-like fluid in a generic throttle geometry are presented. Two-phase regions are modeled by a parameter-free thermodynamic equilibrium mixture model, and compressibility of the liquid and the liquid-vapor mixture is taken into account. The Adaptive Local Deconvolution Method (ALDM), adapted for cavitating flows, is employed for discretizing the convective terms of the Navier-Stokes equations for the homogeneous mixture. ALDM is a finite-volume-based implicit LES approach that merges physically motivated turbulence modeling and numerical discretization. Validation of the numerical method is performed for a cavitating turbulent mixing layer. Comparisons with experimental data of the throttle flow at two different operating conditions are presented. The LES with the employed cavitation modeling predicts relevant flow and cavitation features accurately within the uncertainty range of the experiment. The turbulence structure of the flow is further analyzed with an emphasis on the interaction between cavitation and coherent motion, and on the statistically averaged-flow evolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Optimal gas cooling with minimal aero-opticaldistortion for next generation high-average-power lasers (Progress report, Year 2)

Next-generation lasers that combine high-peak-power ultrashort pulses with high repetition rates have the potential to efficiently deliver the high-average-power outputs required for inertial fusion energy generation, laser-based particle acceleration, and to generate compact secondary x- and 𝛾-ray radiation sources, among others. The combination of long gain length with high surface-to-volume ratio to remove residual heat makes gas-cooled multi-slab amplifier heads an inherently aperture- and average power scalable technology that enables this new class of solid-state lasers, and their thermal management becomes the most pressing technical challenge. As the index-of refraction depends on the gas density, heat removal from the slab surfaces unavoidably entails scattering of propagated light from regions of high temperature fluctuations. The requirement to maximize convective heat extraction from the gain medium under the constraint of minimum optical aberration of the beam renders amplifier slab cooling a technological challenge at the intersection of aero-optics, fluid-mechanics and heat transfer. The goal of this research is to leverage computational fluid dynamics and aero optics simulations of different levels of fidelity to devise a numerical modeling and optimization framework for gas-cooled multi-slab amplifiers. The project will be conducted in close collaboration with the Advanced Photon Technologies Group at Lawrence Livermore National Laboratory, where a gas-cooled test stand for laser materials and thermal management structures will be developed and installed. The final goal of the collaborative effort is to manufacture and benchmark a physical prototype of an numerically optimized amplifier head design. Measurement data on solid-state and thermo-optical distortions will be used for the validation of the numerical models. The key technical challenge in this multi-objective design problem is that of balancing optimal heat removal with minimal optical distortion. To facilitate computationally efficient design optimization and, at the same time, deepen our basic understanding of the interaction of light with turbulence, a complementary study that combines high and low-fidelity flow simulations and aero-optical models is proposed. Along the lines of these two objectives and solution strategies, the project is organized into two thrusts.

42 ENGINEERING↗

NASA NTRS2004

Exhaust Simulation Testing of a Hypersonic Airbreathing Model at Transonic Speeds

An experimental study was performed to examine jet-effects for an airframe-integrated, scramjet-rocket combined-cycle vehicle configuration at transonic test conditions. This investigation was performed by testing an existing exhaust simulation wind tunnel model, known as Model 5B, in the NASA Langley 16-Ft. Transonic Tunnel. Tests were conducted at freestream Mach numbers from 0.7 to 1.2, at angles of attack from 2 to +14 degrees, and at up to seven nozzle static pressure ratio values for a set of horizontal-tail and body-flap deflections. The model aftbody, horizontal tails, and body flaps were extensively pressure instrumented to provide an understanding of jet-effects and control-surface/plume interactions, as well as for the development of analytical methodologies and calibration of computational fluid dynamic codes to predict this type of flow phenomenon. At all transonic test conditions examined, the exhaust flow at the exit of the internal nozzle was over-expanded, generating an exhaust plume that turned toward the aftbody. Pressure contour plots for the aftbody of Model 5B are presented for freestream transonic Mach numbers of 0.70, 0.95, and 1.20. These pressure data, along with shadowgraph images, indicated the impingement of an internal plume shock and at least one reflected shock onto the aftbody for all transonic conditions tested. These results also provided evidence of the highly three-dimensional nature of the aftbody exhaust flowfield. Parametric testing showed that angle-of-attack, static nozzle pressure ratio, and freestream Mach number all affected the exhaust-plume size, exhaust-flowfield shock structure, and the aftbody-pressure distribution, with Mach number having the largest effect. Integration of the aftbody pressure data showed large variations in the pitching moment throughout the transonic regime.

Huebner, Lawrence D.↗

DOE OSTI2011

Investigation of Mineral Transformations in Wet Supercritical CO2 by Electron Microscopy

The capture and storage of carbon dioxide and other greenhouse gases in deep geologic formations represents one of the most promising options for mitigating the impacts of greenhouse gases on global warming. In this regard, mineral-fluid interactions are of prime importance since such reactions can result in the long term sequestration of CO2 by trapping in mineral phases. Recently it has been recognized that interactions with neat to water-saturated non-aqueous fluids are of prime importance in understanding mineralization reactions since the introduced CO2 is likely to contain water initially or soon after injection and the supercritical CO2 (scCO2) is less dense than the aqueous phase which can result in a buoyant scCO2 plume contacting the isolating caprock. As a result, unraveling the molecular/microscopic mechanisms of mineral transformation in neat to water saturated scCO2 has taken on an added important. In this study, we are examining the interfacial reactions of the olivine mineral forsterite (Mg2SiO4) over a range of water contents up to and including complete water saturation in scCO2. The surface precipitates that form on the reacted forsterite grains are extremely fragile and difficult to experimentally characterize. In order to address this issue we have developed experimental protocols for preparing and imaging electron-transparent samples from fragile structures. These electron-transparent samples are then examined using a combination of STEM/EDX, FIB-TEM, and helium ion microscope (HIM) imaging (Figures 1-3). This combination of capabilities has provided unique insight into the geochemical processes that occur on scCO2 reacted mineral surfaces. The experimental procedures and protocols that have been developed also have useful applications for examining fragile structures on a wide variety of materials. This research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

CO2↗

NASA NTRSDate not supplied

Reduced-Order Aerodynamic Modeling Based on CFD Frequency Responses from Multisine Inputs

A system identification analysis was performed to determine a reduced-order model (ROM) of a computational fluid dynamics (CFD) solver in support of linear aeroservoelastic model development and feedback control design. The approach was applied to the FUN3D code for the half-span wind tunnel test article used in the NASA-Boeing collaboration called the Integrated Adaptive Wing Technology Maturation (IAWTM) project. In a transonic flow condition, multiple inputs (11 structural mode displacements and 3 control surface deflections) were simultaneously excited with orthogonal phase-optimized multisines while multiple outputs (the corresponding 14 generalized aerodynamic forces) were recorded. From these recorded times series, the matrix of frequency responses was computed and subsequently fit using rational function approximations (RFAs). It was found that the entire (14 x 14) matrix of frequency responses could be determined from a single CFD run and that results generally followed trends predicted using other methods. Differences were attributed to the modeling fidelity and nonlinearities from structural mode and control surface interactions at higher reduced frequencies. More accurate fits of the RFAs to the frequency response data were obtained by making two CFD runs, one with only structural mode excitations and one with only control surface excitations, which reduced the degree of nonlinearity in the modeling data.

Aeroservoelasticity↗

DOE OSTI2018

Transmission Electron Microscopy (TEM) Study of the Oxide Layers Formed on Fe-12Cr-4Al Ferritic Alloy in an Oxygenated Pb-Bi Environment at 800°C

Liquid lead–bismuth eutectic (LBE) can serve as a heat transfer fluid for advanced nuclear applications as well as concentrated solar power but poses corrosion challenges for the structural materials at elevated temperatures. Oxide passivation of the surfaces of these materials during exposure to liquid LBE can inhibit such material degradation. In this study, transmission electron microscopy of oxides formed on Fe-Cr-Al alloy during exposure to lowoxygenated LBE at 800C has been performed. A complex structure of the oxide film has been revealed, consisting of a homogeneous inner layer of mostly Al 2 O 3 and a heterogeneous outer layer.

14 SOLAR ENERGY↗

DOE OSTI2019

Effect of Water on Fracture Mechanical Properties of Shales

Abstract Recognition of the potential for subcritical fracture growth of rocks is essential for the evaluation of long‐term stability of fluids trapped in geologic structures. In shales, subcritical fracture growth may control migration of hydrocarbons in source rock and unconventional reservoirs and of sequestered CO 2 across top seals. Using the double torsion method, we investigated the mode‐I fracture mechanical properties of three shales of different composition, namely, Woodford Shale, Mancos Shale, and Marcellus Shale, under water‐saturated conditions, in ambient air, and in dry CO 2 gas conditions to systematically investigate the effect of water on the fracture growth properties of shales. The clay‐rich (illite with minor kaolinite) Woodford and Mancos Shales demonstrate a strong water‐weakening effect despite their low smectite content, with the fracture toughness reduced by up to 54% and the subcritical fracture growth index by up to 77% under water‐saturated conditions compared to tests in ambient air. Carbonate‐rich Marcellus Shale, in contrast, displays negligible water‐weakening effects. The clay‐CO 2 interaction is minor for the three shales. Specimens treated with a hydrophobic surface coating were also tested to limit water‐weakening effects to the fracture tip. Data from these tests reveal rate‐dependent stress intensity factor‐velocity curves for clay‐rich Woodford and Mancos Shales suggesting a competition between mechanical fracture growth and physicochemical water‐rock interactions. Our results suggest that subcritical failure by water‐enhanced subcritical fracture growth could significantly increase brittle failure in clay‐rich shales.

Chen, Xiaofeng↗

NASA NTRS2002

Transient Mixing Driven by Buoyancy Flows

Mixing driven by buoyancy-induced flows is of particular interest to microgravity processes, as the body force that governs the intensity of flow fields can be directly controlled. We consider a model experimental system to explore the dynamics of mixing which employs two miscible liquids inside a cavity separated initially by a divider. The two liquids are oriented vertically inside a rectangular cavity with constant width and height, and varying depths to span the range of a Hele-Shaw cell to a 3-[) configuration. The two miscible liquids can be sufficiently diluted and died, for example water and deuterium oxide, such that a distinct interface exists across the divider. The transient mixing characteristic of the two fluids is addressed by following the Lagrangian history of the interface for various aspect ratios in the z-plane (depth variation) as well as a range of pulling velocities of the divider. The mixing characteristics of the two fluids are quantified from measurement of the length stretch of the interface and its flow field using respectively image processing techniques and Particle Imaging Velocimetry. Scaling analysis shows that the length stretch depends on four governing parameters, namely the Grashof number (Gr), Schmidt number (Sc), aspect ratio (Ar), and Reynolds number (Re). Variation of the Schmidt number is taken into account through thermophysical property variation. Thus our problem reduces to a codimension three bifurcation in parametric space for Gr, Ar, and Re. Our experimental results show that for Gr on the order of 106 and a nominal cavity aspect ratio Ar = 0.2, the net effect of removal of the divider and the overwhelming buoyancy force causes an overturning motion which stretches and folds the interface to produce ml internal breakwave. The structure of the breakwave is similar to the ubiquitous Rayleigh-Taylor instability morphology. The breakwave is dissipated either through internal or wall collision depending on the impulsive velocity of the divider as prescribed by the Reynolds number. The decay of the collision event occurs through sloshing oscillations over a short time scale. The two fluids then become stably stratified with a diffusive band at the interface indicating local mass transport. The local bifurcation of the internal breakwave is investigated as a function of aspect ratio. Results show that for narrow cavities on the order of 2mm (Ar = 0.04) folding does not occur, the interface only stretches. As the cavity size increases folding occurs through a supercritical bifurcation. Insight into the mechanism of folding is obtained from measurement of the flow field which shows that in the neighborhood of the folding event, there exists hyperbolic points caused by multiple vortex interactions. The global length stretch of the interface as a function of time is nearly Gaussian; calculations of finite-time Liapunov exponents as well as construction of horseshoe maps indicate the likelihood of a chaotic transient.

W.M.B. Duval↗