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At least 1,423 records · Page 79

Striving to translate shale physics across ten orders of magnitude: What have we learned?

Shales will play an important role in the successful transition of energy from fossil-based resources to renewables in the coming decades. Aside from being a significant source of low-carbon intensity fuels, like natural gas, they also serve as geologic seals of subsurface formations that may be used to isolate nuclear waste, sequester CO 2 , or store intermittent energy (e.g., solar hydrogen). Despite their importance, shales pose significant engineering and environmental challenges due to their nanoporous structure and extreme heterogeneity that spans at least ~10 orders of magnitude in spatial scale. Two challenges inhibit a system-level understanding: (1) the physics of fluid flow and phase behavior in shales are poorly understood due to the dominant molecular interactions between minerals and fluids under confinement, and (2) the apparent lack of scale separation that prevents a reliable (closed) description of the physics at any single scale of observation. In this review, we focus on the latter issue and discuss scale translation, which in its broadest sense is transforming data or simulations from one spatiotemporal scale to another. While effective scale translation is not exclusive to shales, but all geologic porous media, the need for it is especially acute in shales given their high degree of heterogeneity. Classical theories like homogenization, while indispensable, fail when scales are not separated. Other methods, like numerical upscaling, scale-translate in only one direction: small to large, but not the reverse, called downscaling. However, the confluence of advances in three areas are bringing challenging problems such as shales within reach: increased computational power and scalable algorithms; high-resolution imaging and multi-modal data acquisition; and machine learning to process massive amounts of data. While these advances equip geoscientists with a wide array of experimental and computational tools, no individual tool can probe the entire gamut of heterogeneity in shales. Their effective use, therefore, requires an ability to bridge between various data types obtained at different scales. The aim of this review is to present a coherent account of computational and experimental methods that may be used to achieve just that, i.e., to perform scale translation. We provide a broader definition of scale translation, one that transcends classical homogenization and upscaling methods, but is consistent with them and accommodates notions like downscaling and data translation. After a brief introduction to homogenization, we review hybrid methods, numerical upscaling and its recent extensions, multiscale computing, high-resolution imaging, and machine learning. We place particular emphasis on multiscale computing and propose an algorithmic framework to bridge between the pore (micro) and Darcy (macro) scales. Throughout the paper, we draw comparisons between the various methods and highlight their (often hidden) similarities, differences, benefits, and pitfalls. We finally conclude with two case studies on shales that exemplify some of the methods presented.

58 GEOSCIENCES↗

A guideline for appropriate application of vertically-integrated modeling approaches for geologic carbon storage modeling

Mathematical modeling is an essential tool for answering questions related to geologic carbon storage (GCS). The choice of modeling approach depends on the type of questions being asked. In this paper we discuss a series of approaches with a hierarchical complexity including vertically-integrated single-phase flow approaches, vertically-integrated multi-phase flow approaches (with and without vertical equilibrium assumption), three-dimensional multi-phase flow approaches, and fully-coupled multi-phase flow approaches that couple flow with geochemistry and/or geomechanics. Three spatial scales are used to categorize the questions to be addressed by modeling: regional scale (encompasses CO 2 plume extent and majority of area of pressure impact of one or more injection operations), site scale (includes the CO 2 plume extent and some of the area impacted by the pressure increase of a single injection site), and well scale (the immediate vicinity of an injection well). A set of guidelines is developed to help modelers choose the most appropriate modeling approach, and show when simpler modeling approaches may be the better choice. Vertically-integrated single-phase flow models are the most appropriate choice at both the site and regional scales, if the pressure impact outside of the CO 2 plume is of interest. Vertically-integrated multi-phase flow models should be chosen at the regional scale, if the locations of CO 2 plumes are of interest, and at the site scale if vertical segregation of CO 2 and brine is fast or vertical heterogeneity in properties can be presented by distinct, continuous layers. Three-dimensional multi-phase flow models are the appropriate choice at the well and site scales for cases with significant vertical flow components of CO 2 and brine. Fully-coupled multi-phase flow models should only be chosen if pore-space alteration through geochemistry or geomechanics feeds back to fluid flow.

42 ENGINEERING↗

Evolution of solidification texture during additive manufacturing

Striking differences in the solidification textures of a nickel based alloy owing to changes in laser scanning pattern during additive manufacturing are examined based on theory and experimental data. Understanding and controlling texture are important because it affects mechanical and chemical properties. Solidification texture depends on the local heat flow directions and competitive grain growth in one of the six <100> preferred growth directions in face centered cubic alloys. Furthermore, the heat flow directions are examined for various laser beam scanning patterns based on numerical modeling of heat transfer and fluid flow in three dimensions. Here we show that numerical modeling can not only provide a deeper understanding of the solidification growth patterns during the additive manufacturing, it also serves as a basis for customizing solidification textures which are important for properties and performance of components.

36 MATERIALS SCIENCE↗

A history of pore water oxygen isotope evolution in the Cretaceous Travis Peak Formation in East Texas

Oxygen isotope analyses of diagenetic cements can provide detailed evidence of sedimentary burial processes and conditions, as the δ 18 O values of precipitating minerals reflect contemporaneous local δ 18 O water and temperature conditions. Uncertainties in the timing and rates of pore water δ 18 O evolution in sedimentary basins can complicate interpretation of these records. Fracture-bridging (0.5–1 mm) quartz cements observed in sandstones of the Cretaceous Travis Peak Formation in the East Texas basin show clear growth-zoning by cathodoluminescence and contain detailed fluid inclusion records of temperature that make them excellent candidates for interrogating prolonged histories of basin temperature and the evolution of δ 18 O in basin pore water. New secondary ion mass spectrometer (SIMS) δ 18 O quartz isotopic data from fluid inclusion-rich quartz bridges in Travis Peak sandstones record a steady increase of pore water δ 18 O values from ~5 to 7‰ (VSMOW; Vienna Standard Mean Ocean Water) as the sandstone warms from ~130 to 150 °C. To help evaluate whether this trend could be generated solely from local water-rock interactions in response to burial compaction, a one-dimensional closed system isotopic burial model was created to simulate how δ 18 O water values change in a quartz-dominated sandstone during diagenesis. Using both directly measured and inferred rates of Travis Peak compaction, the magnitude of change in δ 18 O water that we calculate from quartz bridge geochemistry cannot be reasonably modeled solely by local quartz mechanical compaction, pressure solution, and cementation processes, necessitating significant fluxes of silica and high-δ 18 O water from outside of the sandstones prior to maximum burial. In conclusion, this indicates that even units which appear surrounded by significant barriers to fluid flow (i.e., mudrock-bounded channel sandstones) may have been infiltrated and diagenetically modified by large fluxes of fluid on geologic time scales.

58 GEOSCIENCES↗

Rocket injector anomalies study. Volume 1: Description of the mathematical model and solution procedure

The capability of simulating three dimensional two phase reactive flows with combustion in the liquid fuelled rocket engines is demonstrated. This was accomplished by modifying an existing three dimensional computer program (REFLAN3D) with Eulerian Lagrangian approach to simulate two phase spray flow, evaporation and combustion. The modified code is referred as REFLAN3D-SPRAY. The mathematical formulation of the fluid flow, heat transfer, combustion and two phase flow interaction of the numerical solution procedure, boundary conditions and their treatment are described.

Przekwas, A. J.↗

Low Reynolds number multiple-time-scale turbulence model and calculations of steady and pulsating shear layers

A low Reynolds number multiple-time-scale turbulence model (LMS) and its application to fully developed turbulent channel flows and pulsating pipe flows are presented. The LMS can describe the inequilibrium turbulence phenomena down to the viscous sublayer. The calculated fluid flow and turbulence fields for the channel flows are in better agreement with the direct numerical simulation (DNS) results than those obtained using a Reynolds stress turbulence model, and the calculated near-wall dissipation rates are in qualitatively correct agreement with the DNS results. The LMS also successfully predicts the rapidly varying phase-lead of the wall shearing stress that occurs in a narrow range of the dimensionless frequency omega (+) = (omega x nu)/(upsilon x tau(exp2)) for the pulsating pipe flows while various other turbulence models fail to predict this phenomenon, and the LMS yields significantly improved numerical results for a wide range of the dimensionless frequency compared with those obtained using a rapid distortion theory (RDT).

Kim, Sang-Wook↗

Bone Blood Flow During Simulated Microgravity: Physiological and Molecular Mechanisms

Blood flow to bone has been shown to affect bone mass and presumably bone strength. Preliminary data indicate that blood flow to the rat femur decreases after 14 days of simulated microgravity, using hindlimb suspension (HLS). If adult rats subjected to HLS are given dobutamine, a synthetic catecholamine which can cause peripheral vasodilation and increased blood flow, the loss of cortical bone area usually observed is prevented. Further, mechanisms exist at the molecular level to link changes in bone blood flow to changes in bone cell activity, particularly for vasoactive agents like nitric oxide (NO). The decreases in fluid shear stress created by fluid flow associated with the shifts of plasma volume during microgravity may result in alterations in expression of vasoactive agents such as NO, producing important functional effects on bone cells. The primary aim of this project is to characterize changes in 1) bone blood flow, 2) indices of bone mass, geometry, and strength, and 3) changes in gene expression for modulators of nitric oxide activity (e.g., nitric oxide synthase) and other candidate genes involved in signal transduction of mechanical loading after 3, 7, 14, 21, and 28 days of HLS in the adult rat. Using a rat of at least 5 months of age avoids inadvertently studying effects of simulated microgravity on growing, rather than adult, bone. Utilizing the results of these studies, we will then define how altered blood flow contributes to changes in bone with simulated microgravity by administering a vasodilatory agent (which increases blood flow to tissues) during hindlimb suspension. In all studies, responses in the unloaded hindlimb bones (tibial shaft, femoral neck) will be compared with those in the weightbearing humeral shaft and the non-weightbearing calvarium (skull) from the same animal. Bone volumetric mineral density and geometry will be quantified by peripheral quantitative CT; structural and material properties of the long bones will be determined by 3-point bending (tibia, humerus) or compression (femoral neck) testing to failure. A unique aspect of these studies will be defining the time course of changes in gene expression in bone cell populations with unloading, accomplished with Northern blots, in situ hybridization, and immunohistochemistry. These studies have high relevance for concurrent protocols being proposed by investigators on NSBRI Cardiovascular and Muscle teams, with blood flow data available on a number of tissues other than bone. Further, dobutamine and other Beta-agonists have been tested as countermeasures for altered muscle and cardiovascular function. Results of the intervention tested in our studies have potential relevance for a number of systemic changes seen with prolonged spaceflight.

Bloomfield, Susan A.↗

Predicting System Accidents with Model Analysis During Hybrid Simulation

Standard discrete event simulation is commonly used to identify system bottlenecks and starving and blocking conditions in resources and services. The CONFIG hybrid discrete/continuous simulation tool can simulate such conditions in combination with inputs external to the simulation. This provides a means for evaluating the vulnerability to system accidents of a system's design, operating procedures, and control software. System accidents are brought about by complex unexpected interactions among multiple system failures , faulty or misleading sensor data, and inappropriate responses of human operators or software. The flows of resource and product materials play a central role in the hazardous situations that may arise in fluid transport and processing systems. We describe the capabilities of CONFIG for simulation-time linear circuit analysis of fluid flows in the context of model-based hazard analysis. We focus on how CONFIG simulates the static stresses in systems of flow. Unlike other flow-related properties, static stresses (or static potentials) cannot be represented by a set of state equations. The distribution of static stresses is dependent on the specific history of operations performed on a system. We discuss the use of this type of information in hazard analysis of system designs.

Malin, Jane T.↗

Cold plate with combined inclined impingement and ribbed channels

Heat transfer devices and methods for making the same that include a first enclosure having at least one inlet port; a second enclosure having a bottom plate and one or more dividing walls to establish channels, at least one internal surface of each channel having rib structures to create turbulence in a fluid flow; and a jet plate connecting the first enclosure and the second enclosure having impinging jets that convey fluid from the first enclosure to the channels, said impinging jets being set at an angular deviation from normal to cause local acceleration of fluid and to increase a local heat transfer rate.

42 ENGINEERING↗

Cold plate with combined inclined impingement and ribbed channels

Heat transfer devices and methods for making the same that include a first enclosure having at least one inlet port; a second enclosure having a bottom plate and one or more dividing walls to establish channels, at least one internal surface of each channel having rib structures to create turbulence in a fluid flow; and a jet plate connecting the first enclosure and the second enclosure having impinging jets that convey fluid from the first enclosure to the channels, said impinging jets being set at an angular deviation from normal to cause local acceleration of fluid and to increase a local heat transfer rate.

Parida, Pritish R.↗

Cold plate with combined inclined impingement and ribbed channels

Heat transfer devices and methods for making the same that include a first enclosure having at least one inlet port; a second enclosure having a bottom plate and one or more dividing walls to establish channels, at least one internal surface of each channel having rib structures to create turbulence in a fluid flow; and a jet plate connecting the first enclosure and the second enclosure having impinging jets that convey fluid from the first enclosure to the channels, said impinging jets being set at an angular deviation from normal to cause local acceleration of fluid and to increase a local heat transfer rate.

42 ENGINEERING↗

A New Methodology for Turbulence Modelers Using DNS Database Analysis

Many industrial applications in such fields as aeronautical, mechanical, thermal, and environmental engineering involve complex turbulent flows containing global separations and subsequent reattachment zones. Accurate prediction of this phenomena is very important because separations influence the whole fluid flow and may have an even bigger impact on surface heat transfer. In particular, reattaching flows are known to be responsible for large local variations of the local wall heat transfer coefficient as well as modifying the overall heat transfer. For incompressible, non-buoyant situations, the fluid mechanics have to be accurately predicted in order to have a good resolution of the temperature field.

Parneix, S.↗

Heat Transfer Efficiency in Various Prandtl Number Turbulent Flows using DNS approach

Convective heat transfer in turbulent flows utilized in many nuclear reactor designs with various coolants. While the traditional light water reactors (LWR) rely on water coolant, some advanced next-generation designs propose to use gas, molten salt, liquid metal coolants. Due to large presence of LWRs, most of the convective heat transfer correlations are focused on fluids with properties similar to water. However, some of the next-generation reactor designs cannot directly apply those correlations to advanced coolants, such as liquid metal, which has very low Prandtl number. Direct Numerical Simulation (DNS) is one of the promising approaches to study the details of fluid flow and heat transfer using first principles. The advances of high performance computing (HPC) in recent years made it possible to apply DNS to a wide variety of flow conditions. Kim and Moin studied heat transfer in fully developed turbulent channel flow using DNS. Kawamura et al. investigated the turbulent heat transfer in channel flow with low to medium-high Prandtl number fluid (ranging between 0.025 and 5.0). They take Reynolds number effects into consideration as well. However, most of these studies focus on medium and high Prandtl number. Low Prandtl number flow (like liquid metal) DNS studies are very limited. In the presented research the effect of low Prandtl number is studied in the turbulent channel flow. The second-order accurate spatial and time discretization is used for the flow solver in the presented work. The instantaneous velocity and temperature fields are visualized in the simulation. The effect of Prandtl number on the heat transfer is investigated by comparing different turbulent flow cases. In the same hydrodynamic conditions, the heat conduction enhances as the Prandtl number decreases in the low Prandtl number range. The behavior of the thermal boundary layer follows the empirical correlation. As the Prandtl number decreases, the conductive sublayer region becomes wider, where is out of the range of the empirical correlation. In the future work, we plan to estimate the Nusselt number as well to compare the total heat transfer rate with respect to different Prandtl number flow, especially the very low Prandtl number cases.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Agile Components for Modeling Internal Flows

The purpose of this project was to rapidly demonstrate the capabilities of Sandia’s Agile Components toolkit by building a prototype simulator for modeling internal fluid flows and similar technologies of interest to GE Global Research. In doing so, this allowed the CRADA partner to learn about the Agile Components from the Sandia experts that designed and developed the toolkit. Sandia and DOE benefited from the application of Agile Components to another type of modeling and simulation application that helped to further generalize and harden the Agile Components software. As per the CRADA/PTS agreement, the resulting demonstration application can now be distributed under an open source license so that it can be made available for others to also learn from.

97 MATHEMATICS AND COMPUTING↗

Fluidic Oscillator Array for Synchronized Oscillating Jet Generation

A fluidic oscillator array includes a plurality of fluidic-oscillator main flow channels. Each main flow channel has an inlet and an outlet. Each main flow channel has first and second control ports disposed at opposing sides thereof, and has a first and a second feedback ports disposed at opposing sides thereof. The feedback ports are located downstream of the control ports with respect to a direction of a fluid flow through the main flow channel. The system also includes a first fluid accumulator in fluid communication with each first control port and each first feedback port, and a second fluid accumulator in fluid communication with each second control port and each second feedback port.

Koklu, Mehti↗

Fluidic Oscillator Array for Synchronized Oscillating Jet Generation

A fluidic oscillator array includes a plurality of fluidic-oscillator main flow channels. Each main flow channel has an inlet and an outlet. Each main flow channel has first and second control ports disposed at opposing sides thereof, and has a first and a second feedback ports disposed at opposing sides thereof. The feedback ports are located downstream of the control ports with respect to a direction of a fluid flow through the main flow channel. The system also includes a first fluid accumulator in fluid communication with each first control port and each first feedback port, and a second fluid accumulator in fluid communication with each second control port and each second feedback port.

Koklu, Mehti↗

Molecular dynamic simulation of Ar-Kr mixture across a rough walled nanochannel: Velocity and temperature profiles

This paper presents the results from a molecular dynamics simulation of mixture of argon and krypton in the Poiseuille flow across a rough walled nanochannel. The roughness effect on liquid nanoflows has recently drawn attention The computational software used for carrying out the molecular dynamics simulations is LAMMPS. The fluid flow takes place between two parallel plates and is bounded by horizontal rough walls in one direction and periodic boundary conditions are imposed in the other two directions. Each fluid atom interacts with other fluid atoms and wall atoms through Leenard-Jones (LJ) potential with a cut off distance of 5.0. To derive the flow a constant force is applied whose value is varied from 0.1 to 0.3 and velocity profiles and temperature profiles are noted for these values of forces. The velocity profile and temperature profiles are also looked at different channel widths of nanochannel and at different densities of mixture. The velocity profile and temperature profile of rough walled nanochannel are compared with that of smooth walled nanochannel and it is concluded that mean velocity increases with increase in channel width, force applied and decrease in density also with introduction of roughness in the walls of nanochannel mean velocity again increases and results also agree with the analytical solution of a Poiseuille flow.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗