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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

The Necessity for Iteration in the Application of Numerical Simulation to EGS: Examples from the EGS Collab Test Bed 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper reviews specific numerical simulations supporting the design of experiments within Test Bed 1, a volume of phyllite rock under in-situ stress conditions off the western side of the West Access Drift on the 4850 Level, near Governor's Corner. Numerical simulations were executed prior to the start of hydraulic stimulation activities within Test Bed 1 following standard practices, using best estimates of principal stress conditions, thermal conditions, and the rock petrophysical properties, including geomechanical properties. These simulations indicated notching of the borehole would promote the initiation of transverse fractures, seismic magnitudes during the hydraulic stimulation would be below 0.1 magnitude on the Richter scale, a rock thermal conductivity of 5.0 W/m K yielded agreement with kISMET borehole temperature logs, back pressure on the production borehole would increase circulation across the test bed, and the production borehole would serve to halt propagation of the hydraulic fracture to the drift. Pre-existing natural fractures, heterogeneities in the rock properties, monitoring boreholes, and overlooked mine elements have prompted a second look at numerically modeling stimulation, fluid circulation, tracer migration, and thermal breakthrough. Numerical simulation is an invaluable tool for providing insight and understanding to complex physical processes. The success of simulations, however, often depends on including all of the salient features of the system in the founding conceptual model. This paper takes a retrospective look at examples where the conceptual model and simulation was sufficient to provide accurate forecasts and those where elements were missing, necessitating rethinking of the simulation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

The Necessity for Iteration in the Application of Numerical Simulation to EGS: Examples from the EGS Collab Test Bed 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper reviews specific numerical simulations supporting the design of experiments within Test Bed 1, a volume of phyllite rock under in-situ stress conditions off the western side of the West Access Drift on the 4850 Level, near Governor’s Corner. Numerical simulations were executed prior to the start of hydraulic stimulation activities within Test Bed 1 following standard practices, using best estimates of principal stress conditions, thermal conditions, and the rock petrophysical properties, including geomechanical properties. These simulations indicated notching of the borehole would promote the initiation of transverse fractures, seismic magnitudes during the hydraulic stimulation would be below 0.1 magnitude on the Richter scale, a rock thermal conductivity of 5.0 W/m K yielded agreement with kISMET borehole temperature logs, back pressure on the production borehole would increase circulation across the test bed, and the production borehole would serve to halt propagation of the hydraulic fracture to the drift. Pre-existing natural fractures, heterogeneities in the rock properties, monitoring boreholes, and overlooked mine elements have prompted a second look at numerically modeling stimulation, fluid circulation, tracer migration, and thermal breakthrough. Numerical simulation is an invaluable tool for providing insight and understanding to complex physical processes. The success of simulations, however, often depends on including all of the salient features of the system in the founding conceptual model. This paper takes a retrospective look at examples where the conceptual model and simulation was sufficient to provide accurate forecasts and those where elements were missing, necessitating rethinking of the simulation.

numerical simulation, EGS Collab, enhanced geother↗
DOE OSTI2017

Evaluation of the shear rate effect on the interfacial forces acting on a single bubble

Owing to the outstanding characteristics of mass and heat transfer efficiency, two-phase bubbly flows have wide applications in the nuclear engineering fields. However, the physics behind the bubbly flows phenomenon can be very complex due to the various parameters and phenomena involved. Thanks to the increasing computing power and advanced algorithms, computational fluid dynamics (CFD) approach has emerged as an effective tool for exploring the bubbly flows. In typical laminar channel or pipe flow, the flow field develops a parabolic velocity profile due to the wall friction. Assuming the shear rate across the bubble diameter is constant, the bubble will encounter various shear rates depending on its transverse position. Different shear rates may lead to the acceleration of transverse migration speed and influence the bubble rising velocity. In this summary, we evaluate the effect of shear rate on the interfacial forces (lift and drag) acting on a single bubble with the shear rate ranging from 3.8 to 8.3 s{sup -1} and the Eotvos number ranging from 2.58 to 4.45.

42 ENGINEERING↗
DOE OSTI2024

Development of Segregated Thermal-Hydraulics Solvers in MOOSE

The simulation of fluid flows is an essential part of the design and analysis of nuclear systems. Algorithms able to simulate flows at different fidelity levels are available in the Multiphysics Object-Oriented Simulation Environment (MOOSE) and MOOSE-based applications such as Pronghorn \cite{novak2018pronghorn}, Pronghorn-Subchannel, RELAP-7, and SAM. Currently, significant effort is being invested in the development of coarse-mesh Computational Fluid Dynamics (CFD) capabilities within MOOSE and Pronghorn for the simulation of Generation IV nuclear reactors. Traditionally, the solution algorithms in MOOSE have relied on Newton or quasi-Newton methods (such as the preconditioned Jacobian-free Newton-Krylov method) where residuals and Jacobians (or approximations thereof) are constructed. Both Newton and quasi-Newton methods require the solution of a linear system at each nonlinear Newton iteration with the Jacobian as the system matrix. The Jacobian contains blocks originating from all variables in the problem (i.e., for thermal-hydraulics at least pressure, velocities, and temperature). Due to the formulation of the problem in a general multiphysics setting on unstructured mesh, creating a good preconditioner for the linear system can be challenging, thus many fluid applications have utilized direct solver-based methods such as LU factorization. However, with increasing system size and complexity in multi-dimensional problems, the direct solution of linear systems becomes computationally expensive both in execution time and and memory. For this reason, recent effort has focused on adapting segregated solution algorithms for CFD problems in MOOSE. These algorithms use fixed-point iteration between segregated systems whose assembly and preconditioning are easier those of the monolithic system. Initial results show that the segregated solution algorithm outperforms the monolithic approach in terms of memory usage and for large 3D problems in terms of CPU time as well.

42 ENGINEERING↗
DOE OSTI2024

Development of Segregated Thermal-Hydraulics Solvers in MOOSE

The simulation of fluid flows is an essential part of the design and analysis of nuclear systems. Algorithms able to simulate flows at different fidelity levels are available in the Multiphysics Object-Oriented Simulation Environment (MOOSE) and MOOSE-based applications such as Pronghorn \cite{novak2018pronghorn}, Pronghorn-Subchannel, RELAP-7, and SAM. Currently, significant effort is being invested in the development of coarse-mesh Computational Fluid Dynamics (CFD) capabilities within MOOSE and Pronghorn for the simulation of Generation IV nuclear reactors. Traditionally, the solution algorithms in MOOSE have relied on Newton or quasi-Newton methods (such as the preconditioned Jacobian-free Newton-Krylov method) where residuals and Jacobians (or approximations thereof) are constructed. Both Newton and quasi-Newton methods require the solution of a linear system at each nonlinear Newton iteration with the Jacobian as the system matrix. The Jacobian contains blocks originating from all variables in the problem (i.e., for thermal-hydraulics at least pressure, velocities, and temperature). Due to the formulation of the problem in a general multiphysics setting on unstructured mesh, creating a good preconditioner for the linear system can be challenging, thus many fluid applications have utilized direct solver-based methods such as LU factorization. However, with increasing system size and complexity in multi-dimensional problems, the direct solution of linear systems becomes computationally expensive both in execution time and and memory. For this reason, recent effort has focused on adapting segregated solution algorithms for CFD problems in MOOSE. These algorithms use fixed-point iteration between segregated systems whose assembly and preconditioning are easier those of the monolithic system. Initial results show that the segregated solution algorithm outperforms the monolithic approach in terms of memory usage and for large 3D problems in terms of CPU time as well.

42 ENGINEERING↗
NASA NTRS1999

Investigation of the Influence of Microgravity on Transport Mechanisms in a Virtual Spaceflight Chamber: A Ground Based Program

In January 1992, the IML-1 FES experiment produced a set of classic experimental data and a 40 hour holographic "movie" of an ensemble of spheres in a fluid in microgravity. Because the data are in the form of holograms, we can study the three-dimensional distribution of particles with unprecedented detail by a variety of methods and for a wide variety of interests. The possession of the holographic movie is tantamount to having a complex experiment in space while working in an easily accessible laboratory on earth. The movie contains a vast amount of useful data, including residual g, g-jitter, convection and transport data, and particle fluid interaction data. The information content in the movie is so great that we have scarcely begun to tap into the data that is actually available in the more than 1000 holograms, each containing as much as 1000 megabytes of information. This ground-based project is exploiting this data and the concept of holographic storage of spaceflight data to provide an understanding of the effects of microgravity in materials processing. This paper provides the foundation, objectives, and status of the ground based project. The primary objective of this project is to advance the understanding of microgravity effects on crystal growth, convection in materials processing in the space environment, and complex transport phenomena at low Reynolds numbers. This objective is being achieved both experimentally and theoretically. Experiments are making use of existing holographic data recorded during the IML- I spaceflight. A parallel theoretical effort is providing the models for understanding the particle fields and their physics in the microgravity environment.

Trolinger, James D.↗
NASA NTRS1987

Turbomachinery

The discipline research in turbomachinery, which is directed toward building the tools needed to understand such a complex flow phenomenon, is based on the fact that flow in turbomachinery is fundamentally unsteady or time dependent. Success in building a reliable inventory of analytic and experimental tools will depend on how the time and time-averages are treated, as well as on who the space and space-averages are treated. The raw tools at disposal (both experimentally and computational) are truly powerful and their numbers are growing at a staggering pace. As a result of this power, a case can be made that a situation exists where information is outstripping understanding. The challenge is to develop a set of computational and experimental tools which genuinely increase understanding of the fluid flow and heat transfer in a turbomachine. Viewgraphs outline a philosophy based on working on a stairstep hierarchy of mathematical and experimental complexity to build a system of tools, which enable one to aggressively design the turbomachinery of the next century. Examples of the types of computational and experimental tools under current development at Lewis, with progress to date, are examined. The examples include work in both the time-resolved and time-averaged domains. Finally, an attempt is made to identify the proper place for Lewis in this continuum of research.

Simoneau, Robert J.↗
DOE OSTI2013

The RealGas and RealGasH2O Options of the TOUGH+ Code for the Simulation of Coupled Fluid and Heat Flow in Tight/Shale Gas Systems

We developed two new EOS additions to the TOUGH+ family of codes, the RealGasH2O and RealGas . The RealGasH2O EOS option describes the non-isothermal two-phase flow of water and a real gas mixture in gas reservoirs, with a particular focus in ultra-tight (such as tight-sand and shale gas) reservoirs. The gas mixture is treated as either a single-pseudo-component having a fixed composition, or as a multicomponent system composed of up to 9 individual real gases. The RealGas option has the same general capabilities, but does not include water, thus describing a single-phase, dry-gas system. In addition to the standard capabilities of all members of the TOUGH+ family of codes (fully-implicit, compositional simulators using both structured and unstructured grids), the capabilities of the two codes include: coupled flow and thermal effects in porous and/or fractured media, real gas behavior, inertial (Klinkenberg) effects, full micro-flow treatment, Darcy and non-Darcy flow through the matrix and fractures of fractured media, single- and multi-component gas sorption onto the grains of the porous media following several isotherm options, discrete and fracture representation, complex matrix-fracture relationships, and porosity-permeability dependence on pressure changes. The two options allow the study of flow and transport of fluids and heat over a wide range of time frames and spatial scales not only in gas reservoirs, but also in problems of geologic storage of greenhouse gas mixtures, and of geothermal reservoirs with multi-component condensable (H2O and CH4) and non-condensable gas mixtures. The codes are verified against available analytical and semi-analytical solutions. Their capabilities are demonstrated in a series of problems of increasing complexity, ranging from isothermal flow in simpler 1D and 2D conventional gas reservoirs, to non-isothermal gas flow in 3D fractured shale gas reservoirs involving 4 types of fractures, micro-flow, non-Darcy flow and gas composition changes during production.

03 NATURAL GAS↗
DOE OSTI2022

Wabash CarbonSAFE. Geologic Analysis of the Potosi Dolomite Reservoir Interval and Potential Confining Units, at the Wabash #1 Well, Vigo Co., Indiana, Subtask 7.2, Technical Report

The Wabash CarbonSAFE project drilled the Wabash #1 stratigraphic test well (ID# 168045) at the Wabash Valley Resources (WVR) IGCC facility in Vigo County, Indiana, to evaluate the feasibility of commercial-scale CO 2 storage near the site. The Mt. Simon Sandstone was the initial target for storage evaluation and was found to have generally poor reservoir qualities in the Wabash #1 well. Focus was then placed on the secondary target, the Potosi Dolomite. For storage and containment evaluation an extensive suite of geophysical logs was collected throughout the borehole, and whole cores were obtained from the Mt. Simon Sandstone, Eau Claire Formation, and Maquoketa Group. The Maquoketa Group is identified as a regionally extensive secondary sealing interval above the Mt. Simon Sandstone and as a primary seal for the Potosi Dolomite storage complex. Due to concerns over potential lost circulation zones in the Potosi Dolomite during drilling, no core samples or Formation Micro Imager (FMI) logs were acquired in the Potosi Dolomite. However, cased hole well testing was performed over a 20 feet (6 m) interval within the Potosi Dolomite during which a fluid swab sample was obtained. Approximately 35 miles of 2D seismic information was acquired in the project area near Wabash #1 to aid in reservoir and caprock characterization. The highly porous and permeable zones in the Potosi Dolomite and lower Oneota Dolomite observed within the Wabash #1 well are, for the purpose of this report, considered the same reservoir package and referred to as the Potosi reservoir interval. This report presents a regional depositional context for the Potosi reservoir interval, the overlying confining zones in the Knox Group, and Maquoketa Group primary seal. This context is developed through detailed information obtained from the Wabash #1 well such as lithologic data collected from cuttings and core, geophysical logging, geomechanical analysis of core samples, and well testing and fluid sampling within the Potosi reservoir interval. Information discussed in this report was compiled as a basis for the development of static and dynamic geologic models of the Potosi Dolomite storage complex. The static and dynamic modeling of CO 2 injection in the Potosi reservoir interval are discussed in a separate report (Dessenberger et al., 2022) under the Wabash CarbonSAFE project.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

A dynamic microbial sulfur cycle in a serpentinizing continental ophiolite

Summary Serpentinization is the hydration and oxidation of ultramafic rock, which occurs as oceanic lithosphere is emplaced onto continental margins (ophiolites), and along the seafloor as faulting exposes this mantle‐derived material to circulating hydrothermal fluids. This process leads to distinctive fluid chemistries as molecular hydrogen (H 2 ) and hydroxyl ions (OH − ) are produced and reduced carbon compounds are mobilized. Serpentinizing ophiolites also serve as a vector to transport sulfur compounds from the seafloor onto the continents. We investigated hyperalkaline, sulfur‐rich, brackish groundwater in a serpentinizing continental ophiolite to elucidate the role of sulfur compounds in fuelling in situ microbial activities. Here we illustrate that key sulfur‐cycling taxa, including Dethiobacter , Desulfitispora and ‘ Desulforudis ’, persist throughout this extreme environment. Biologically catalysed redox reactions involving sulfate, sulfide and intermediate sulfur compounds are thermodynamically favourable in the groundwater, which indicates they may be vital to sustaining life in these characteristically oxidant‐ and energy‐limited systems. Furthermore, metagenomic and metatranscriptomic analyses reveal a complex network involving sulfate reduction, sulfide oxidation and thiosulfate reactions. Our findings highlight the importance of the complete inorganic sulfur cycle in serpentinizing fluids and suggest sulfur biogeochemistry provides a key link between terrestrial serpentinizing ecosystems and their submarine heritage.

Sabuda, Mary C.↗
DOE OSTI2016

Impact of High Performance Computing on the Detailed Simulation of Subsurface Flow and Contaminant Transport Using eSTOMP - 16341

The ability to model subsurface processes at the field-scale is essential to site closure and remedial action decisions. Field-scale models often require high-performance computing to meet the computational demands associated with complex systems, model calibration, and uncertainty quantification. eSTOMP, a parallel version of STOMP, is an analytical tool that meets the need for investigating coupled processes in the subsurface involving regional multi-fluid flow and biogeochemistry. The scalability of eSTOMP makes it ideal for simulating contaminant and geochemical reactive transport when long run times result from execution of a serial code. To demonstrate the impact of high-performance computation on subsurface analyses, the application of eSTOMP is presented for two sites. The first site involves uranium surface complexation within a highly dynamic, variably saturated flow field. The use of this model in conjunction with continued field monitoring is expected to provide a rigorous basis for developing operational strategies for field remediation and for defining defensible remediation endpoints. The second site involves the long-term dissolution of low-level radioactive glass emplaced within a near-surface repository. The waste form release rate is evaluated by modeling the basic physical and chemical processes that are known to control the waste form dissolution behavior, including pH and composition of the fluid contacting the glass. Simulations demonstrate that glass dissolution rates vary both in time and as a function of position within the disposal system, and that a 'leach rate' or radionuclide release rate parameter can only be estimated after identifying these impacts in a dynamic system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2007

Benchtop Detection of Proteins

A process, and a benchtop-scale apparatus for implementing the process, have been developed to detect proteins associated with specific microbes in water. The process and apparatus may also be useful for detection of proteins in other, more complex liquids. There may be numerous potential applications, including monitoring lakes and streams for contamination, testing of blood and other bodily fluids in medical laboratories, and testing for microbial contamination of liquids in restaurants and industrial food-processing facilities. A sample can be prepared and analyzed by use of this process and apparatus within minutes, whereas an equivalent analysis performed by use of other processes and equipment can often take hours to days. The process begins with the conjugation of near-infrared-fluorescent dyes to antibodies that are specific to a particular protein. Initially, the research has focused on using near-infrared dyes to detect antigens or associated proteins in solution, which has proven successful vs. microbial cells, and streamlining the technique in use for surface protein detection on microbes would theoretically render similar results. However, it is noted that additional work is needed to transition protein-based techniques to microbial cell detection. Consequently, multiple such dye/antibody pairs could be prepared to enable detection of multiple selected microbial species, using a different dye for each species. When excited by near-infrared light of a suitable wavelength, each dye fluoresces at a unique longer wavelength that differs from those of the other dyes, enabling discrimination among the various species. In initial tests, the dye/antibody pairs are mixed into a solution suspected of containing the selected proteins, causing the binding of the dye/antibody pairs to such suspect proteins that may be present. The solution is then run through a microcentrifuge that includes a membrane that acts as a filter in that it retains the dye/antibody/protein complexes while allowing any remaining unbound dye/antibody pairs to flow away. The retained dye/antibody/protein complexes are transferred to a cuvette, wherein they are irradiated with light from a miniature near-infrared laser delivered via a fiber-optic cable. The resulting fluorescence from the dye(s) is measured by use of a miniature spectrometer, the output of which is digitized, then analyzed by laptop computer. The software running in the computer identifies the protein species by the wavelengths of their spectral peaks and determines the amounts of the proteins, and thus, one day, microbes of the various species from the intensities of the peaks. The abovementioned removal of the unbound dye/antibody pairs during centrifugation prevents false positive readings. The process proves successful in detecting proteins in solution and thus can now be employed for use in microbe detection.

Scardelletti, Maximilian C.↗
DOE OSTI2016

Pressure drop measurements across a helical coil steam generator configuration - 15997

The primary heat transport loop heat exchanger within a Very-High Temperature Reactor (VHTR) is most commonly a Helical Coil Steam Generator (HCSG). This design has been regarded as having increased heat transfer within a smaller design in comparison to other heat exchangers. The fluidic heat transfer properties of the HCSG is still under evaluation in tangent with HTRs due to its complex design. Heat transfer between these layers relies heavily on their relative location and fluidic properties. A model was constructed to study the pressure field on a rod s surface as well as across multiple layers of helically facing tubes. Experiments focused on evaluating the impact relative geometry played on the overall pressure drop of the test section with inlet fluid velocity ranging from 0 to 3 m/s. A study to compare the experimental results with the Gaddis-Gnielinski Correlative theoretical values of pressure drop in tube bundles shows that the complex helical geometry results in pressure drops similar to that of fully developed rod bundle although the test facility is comprised of two half rod helical coils. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2000

Interfacing the Generalized Fluid System Simulation Program with the SINDA/G Thermal Program

A general purpose, one dimensional fluid flow code has been interfaced with the thermal analysis program SINDA/G. The flow code, GFSSP, is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development was conducted in two phases. This paper describes the first (which allows for steady and quasi-steady - unsteady solid, steady fluid - conjugate heat transfer modeling). The second (full transient conjugate heat transfer modeling) phase of the interface development will be addressed in a later paper. Phase 1 development has been benchmarked to an analytical solution with excellent agreement. Additional test cases for each development phase demonstrate desired features of the interface. The results of the benchmark case, three additional test cases and a practical application are presented herein.

Schallhorn, Paul↗
DOE OSTI2019

Fiber motion in highly confined flows of carbon fiber and non-Newtonian polymer [Advanced modeling of non-Newtonian polymer and carbon fibers]

Inks compounded of short carbon fibers suspended in polymer resin can be extruded to produce composite materials during additive manufacturing or 3D printing processes. The flow process induces anisotropic orientation of the fibers which is set into the matrix and significantly affects the mechanical and physical properties of the final product. Therefore, the flow of fiber suspensions needs to be understood in order to predict the orientation distribution of the fibers during such manufacturing processes. There is still a lack of knowledge for extrusion of the complex mixture of a non-Newtonian polymer containing a high-volume fraction of fibers with high fiber aspect ratio, where both inter-particle, fluid-particle and fiber-wall interactions are computationally evaluated. This paper presents predictive numerical simulations and experimental results of such confined flow in a concentrated regime. The code is based on Lagrange multiplier technique and resolves each particle and interaction between the fibers and surrounding fluid and nozzle walls. We investigate numerically how the fiber length impacts the fiber alignment during extrusion. We found that a fiber length above 67% of the nozzle's diameter induces dramatic change in the fiber flow, causing fibers to concentrate at the nozzle boundaries with very low concentration of fibers in the center of the nozzle. It was found that the best fiber alignment is reached for fiber lengths equal to 40–50% of the nozzle diameters. Numerical findings are supported by experimental results. In conclusion, this work improves understanding of fiber orientation during 3D printing and is an important milestone for the prediction of the complex mechanical properties of additively manufactured fiber composites.

36 MATERIALS SCIENCE↗
DOE OSTI2011

A View on Future Building System Modeling and Simulation

This chapter presents what a future environment for building system modeling and simulation may look like. As buildings continue to require increased performance and better comfort, their energy and control systems are becoming more integrated and complex. We therefore focus in this chapter on the modeling, simulation and analysis of building energy and control systems. Such systems can be classified as heterogeneous systems because they involve multiple domains, such as thermodynamics, fluid dynamics, heat and mass transfer, electrical systems, control systems and communication systems. Also, they typically involve multiple temporal and spatial scales, and their evolution can be described by coupled differential equations, discrete equations and events. Modeling and simulating such systems requires a higher level of abstraction and modularisation to manage the increased complexity compared to what is used in today's building simulation programs. Therefore, the trend towards more integrated building systems is likely to be a driving force for changing the status quo of today's building simulation programs. Thischapter discusses evolving modeling requirements and outlines a path toward a future environment for modeling and simulation of heterogeneous building systems.A range of topics that would require many additional pages of discussion has been omitted. Examples include computational fluid dynamics for air and particle flow in and around buildings, people movement, daylight simulation, uncertainty propagation and optimisation methods for building design and controls. For different discussions and perspectives on the future of building modeling and simulation, we refer to Sahlin (2000), Augenbroe (2001) and Malkawi and Augenbroe (2004).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

TOUGH+HYDRATE v1.2 User's Manual: A Code for the Simulation of System Behavior in Hydrate-Bearing Geologic Media

TOUGH+HYDRATE v1.2 is a code for the simulation of the behavior of hydratebearing geologic systems, and represents the second update of the code since its first release [Moridis et al., 2008]. By solving the coupled equations of mass and heat balance, TOUGH+HYDRATE can model the non-isothermal gas release, phase behavior and flow of fluids and heat under conditions typical of common natural CH4-hydrate deposits (i.e., in the permafrost and in deep ocean sediments) in complex geological media at any scale (from laboratory to reservoir) at which Darcy’s law is valid. TOUGH+HYDRATE v1.2 includes both an equilibrium and a kinetic model of hydrate formation and dissociation. The model accounts for heat and up to four mass components, i.e., water, CH4, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dissociation or formation, phase changes and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects and inhibitor-induced effects. TOUGH+HYDRATE is a member of TOUGH+, the successor to the TOUGH2 [Pruess et al., 1991] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. It is written in standard FORTRAN 95/2003, and can be run on any computational platform (workstation, PC, Macintosh) for which such compilers are available.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

Environmental projects. Volume 1: Polychlorinated biphenyl (PCB) abatement program

Six large parabolic dish antennas are located at the Goldstone Deep Space Communications Complex north of Barstow, California. Some of the ancillary electrical equipment of thes Deep Space Stations, particularly transformers and power capicitors, were filled with stable, fire-retardant, dielectric fluids containing substances called polychlorobiphenyls (PCBs). Because the Environmental Protection Agency has determined that PCBs are environmental pollutants toxic to humans, all NASA centers have been asked to participate in a PCB-abatement program. Under the supervision of JPL's Office of Telecommunications and Data Acquisition, a two-year long PCB-abatement program has eliminated PCBs from the Goldstone Complex.

Kushner, L.↗