Geometry and Mesh Generation for Representative Volume Elements in Computational Materials Modeling
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Since the accidents at Fukushima-Daiichi, Sandia National Laboratories has been modeling these accident scenarios using the severe accident analysis code, MELCOR. MELCOR is a widely used computer code developed at Sandia National Laboratories since ~1982 for the U.S. Nuclear Regulatory Commission. Insights from the modeling of these accidents is being used to better inform future code development and potentially improved accident management. To date, our necessity to better capture in-vessel thermal-hydraulic and ex-vessel melt coolability and concrete interactions has led to the implementation of new models. The most recent analyses, presented in this paper, have been in support of the of the Organization for Economic Cooperation and Development Nuclear Energy Agency’s (OECD/NEA) Benchmark Study of the Accident at the Fukushima Daiichi Nuclear Power Station (BSAF) Project. The goal of this project is to accurately capture the source term from all three releases and then model the atmospheric dispersion. In order to do this, a forensic approach is being used in which available plant data and release timings is being used to inform the modeled MELCOR accident scenario. For example, containment failures, core slumping events and lower head failure timings are all enforced parameters in these analyses. This approach is fundamentally different from a blind code assessment analysis often used in standard problem exercises. The timings of these events are informed by representative spikes or decreases in plant data. The combination of improvements to the MELCOR source code resulting from analysis previous accident analysis and this forensic approach has allowed Sandia to generate representative and plausible source terms for all three accidents at Fukushima Daiichi out to three weeks after the accident to capture both early and late releases. In particular, using the source terms developed by MELCOR, the MACCS software code, which models atmospheric dispersion and deposition, we are able to reasonably capture the deposition of radionuclides to the northwest of the reactor site.
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An In-Situ Bioremediation (ISB) Pilot Test Treatability Study is planned at Sandia National Laboratories, New Mexico (SNL/NM) Technical Area-V (TA-V) Groundwater Area of Concern. The Treatability Study is designed to gravity inject an electron-donor substrate and bioaugmentation bacteria into groundwater using an injection well. The constituents of concern (COCs) are nitrate and trichloroethene (TCE). The Pilot Test Treatability Study will evaluate the effectiveness of bioremediation and COC treatment over a prescribed period of time. Results of the pilot test will provide data that will be used to evaluate the cost and effectiveness of a fullscale system.
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Glass-ceramic seals may be the future of hermetic connectors at Sandia National Laboratories. They have been shown capable of surviving higher temperatures and pressures than amorphous glass seals. More advanced finite-element material models are required to enable model-based design and provide evidence that the hermetic connectors can meet design requirements. Glass-ceramics are composite materials with both crystalline and amorphous phases. The latter gives rise to (non-linearly) viscoelastic behavior. Given their complex microstructures, glass-ceramics may be thermorheologically complex, a behavior outside the scope of currently implemented constitutive models at Sandia. However, it was desired to assess if the Simplified Potential Energy Clock (SPEC) model is capable of capturing the material response. Available data for SL 16.8 glass-ceramic was used to calibrate the SPEC model. Model accuracy was assessed by comparing model predictions with shear moduli temperature dependence and high temperature 3-point bend creep data. It is shown that the model can predict the temperature dependence of the shear moduli and 3- point bend creep data. Analysis of the results is presented. Suggestions for future experiments and model development are presented. Though further calibration is likely necessary, SPEC has been shown capable of modeling glass-ceramic behavior in the glass transition region but requires further analysis below the transition region.
Sealing glasses are ubiquitous in high pressure and temperature engineering applications, such as hermetic feed-through electrical connectors. A common connector technology are glass-to-metal seals where a metal shell compresses a sealing glass to create a hermetic seal. Though finite-element analysis has been used to understand and design glass-to-metal seals for many years, there has been little validation of these models. An indentation technique was employed to measure the residual stress on the surface of a simple glass-to-metal seal. Recently developed rate- dependent material models of both Schott 8061 and 304L VAR stainless steel have been applied to a finite-element model of the simple glass-to-metal seal. Model predictions of residual stress based on the evolution of material models are shown. These model predictions are compared to measured data. Validity of the finite- element predictions is discussed. It will be shown that the finite-element model of the glass-to-metal seal accurately predicts the mean residual stress in the glass near the glass-to-metal interface and is valid for this quantity of interest.
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Sandia National Laboratories hosted a workshop on August 11, 2017 entitled "Research Directions for Cyber Experimentation," which focused on identifying and addressing research gaps within the field of cyber experimentation , particularly emulation testbeds . This report mainly documents the discussion toward the end of the workshop, which included research gaps such as developing a sustainable research infrastructure, exp anding cyber experimentation, and making the field more accessible to subject matter experts who may not have a background in computer science . Other gaps include methodologies for rigorous experimentation, validation, and uncertainty quantification, which , if addressed, also have the potential to bridge the gap between cyber experimentation and cyber engineering. Workshop attendees presented various ways to overcome these research gaps, however the main conclusion for overcoming these gaps is better commun ication through increased workshops, conferences, email lists, and slack chann els, among other opportunities.
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The objectives and purpose of this research has been to produce laboratory-based experimental and numerical analyses to provide a physics-based understanding of shear stimulation phenomena (hydroshearing) and its evolution during stimulation. Water was flowed along fractures in hot and stressed fractured rock, to promote slip. The controlled laboratory experiments provide a high resolution/high quality data resource for evaluation of analysis methods developed by DOE to assess EGS “behavior” during this stimulation process. Segments of the experimental program will provide data sets for model input parameters, i.e., material properties, and other segments of the experimental program will represent small scale physical models of an EGS system, which may be modeled. The coupled lab/analysis project has been a study of the response of a fracture in hot, water-saturated fractured rock to shear stress experiencing fluid flow. Under this condition, the fracture experiences a combination of potential pore pressure changes and fracture surface cooling, resulting in slip along the fracture. The laboratory work provides a means to assess the role of “hydroshearing” on permeability enhancement in reservoir stimulation. Using the laboratory experiments and results to define boundary and input/output conditions of pore pressure, thermal stress, fracture shear deformation and fluid flow, and models were developed and simulations completed by the University of Oklahoma team. The analysis methods are ones used on field scale problems. The sophisticated numerical models developed contain parameters present in the field. The analysis results provide insight into the role of fracture slip on permeability enhancement-“hydroshear” is to be obtained. The work will provide valuable input data to evaluate stimulation models, thus helping design effective EGS.
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New generations of high-temperature (HT) sensors and electronics are enabling increased measurement speed and accuracy allowing collection of more accurate and relevant data by downhole tools. Unfortunately, this increased capability is often not realized due to the bottleneck in the uplink data transmission rates due to poor signal characteristics of HT wireline. The objective of this project is to enable the high transmission rate of raw data from downhole tools such as acoustic logging tools and seismic measurement devices to minimize the need for downhole signal processing. To achieve this objective, Sandia has undertaken the effort to develop an asymmetric high-temperature (HT), highspeed data link system for downhole tools capable of operating at temperatures of 210°C while taking advantage of existing wireline transmission channels. Current data rates over HT single-conductor wireline are limited to approximately 200 kbps. The goal system will be capable of transmitting data from the tool to the surface (uplink) at rates of > 1Mbps over 5,000 feet of single-conductor wireline as well as automatically adapt the data rate to the longer wirelines by adapting modern telecommunications techniques to operate on high temperature electronics. The data rate from the surface to the tool (downlink) will be significantly smaller but sufficient for command and control functions. While 5,000 feet of cable is the benchmark for this effort, improvements apply to all lengths of cable.
Chemical tracers are commonly used to characterize fracture networks and to determine the connectivity between the injection and production wells. Currently, most tracer experiments involve injecting the tracer at the injection well, manually collecting liquid samples at the wellhead of the production well, and sending the samples off for laboratory analysis. While this method provides accurate tracer concentration data, it does not provide information regarding the location of the fractures conducting the tracer between wellbores. The goal of this project is to develop chemical sensors and design a prototype tool to help understand the fracture properties of a geothermal reservoir by monitoring tracer concentrations along the depth of the well. The sensors will be able to detect certain species of the ionic tracers (mainly iodide) and pH in-situ during the tracer experiment. The proposed high-temperature (HT) tool will house the chemical sensors as well as a standard logging sensor package of pressure, temperature, and flow sensors in order to provide additional information on the state of the geothermal reservoir. The sensors and the tool will be able to survive extended deployments at temperatures up to 225 °C and high pressures to provide real-time temporal and spatial feedback of tracer concentration. Data collected from this tool will allow for the real-time identification of the fractures conducting chemical tracers between wellbores along with the pH of the reservoir fluid at various depths.
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Sandia National Laboratories (SNL) continued evaluation of total system performance assessment (TSPA) computing systems for the previously considered Yucca Mountain Project (YMP). This was done to maintain the operational readiness of the computing infrastructure (computer hardware and software) and knowledge capability for total system performance assessment (TSPA) type analysis, as directed by the National Nuclear Security Administration (NNSA), DOE 2010. This work is a continuation of the ongoing readiness evaluation reported in Lee and Hadgu (2014), Hadgu et al. (2015) and Hadgu and Appel (2016). The TSPA computing hardware (CL2014) and storage system described in Hadgu et al. (2015) were used for the current analysis. One floating license of GoldSim with Versions 9.60.300, 10.5, 11.1 and 12.0 was installed on the cluster head node, and its distributed processing capability was mapped on the cluster processors. Other supporting software were tested and installed to support the TSPA- type analysis on the server cluster. The current tasks included preliminary upgrade of the TSPA-LA from Version 9.60.300 to the latest version 12.0 and address DLL-related issues observed in the FY16 work. The model upgrade task successfully converted the Nominal Modeling case to GoldSim Versions 11.1/12. Conversions of the rest of the TSPA models were also attempted but program and operational difficulties precluded this. Upgrade of the remaining of the modeling cases and distributed processing tasks is expected to continue. The 2014 server cluster and supporting software systems are fully operational to support TSPA-LA type analysis.
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Directional drilling can be used to enable multi-lateral completions from a single well pad to improve well productivity and decrease environmental impact. Downhole rotation is typically developed with a motor in the Bottom Hole Assembly (BHA) that develops drilling power (speed and torque) necessary to drive rock reduction mechanisms (i.e., the bit) apart from the rotation developed by the surface rig. Historically, wellbore deviation has been introduced by a “bent-sub,” located in the BHA, that introduces a small angular deviation, typically less than 3 degrees, to allow the bit to drill off-axis with orientation of the BHA controlled at the surface. The development of a high temperature downhole motor would allow reliable use of bent subs for geothermal directional drilling. Sandia National Laboratories is pursuing the development of a high temperature motor that will operate on either drilling fluid (water-based mud) or compressed air to enable drilling high temperature, high strength, fractured rock. The project consists of designing a power section based upon geothermal drilling requirements; modeling and analysis of potential solutions; and design, development and testing of prototype hardware to validate the concept. Drilling costs contribute substantially to geothermal electricity production costs. The present development will result in more reliable access to deep, hot geothermal resources and allow preferential wellbore trajectories to be achieved. This will enable development of geothermal wells with multi-lateral completions resulting in improved geothermal resource recovery, decreased environmental impact and enhanced well construction economics.
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The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.0.4 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.
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Thermogravimetric analysis - gas chromatography/mass spectrometry (TGA- GC/MS) experiments were performed on EN-7 and EN-8, analyzed, and reported in [1] . This SAND report derives and describes pyrolytic thermal decomposition models for use in predicting the responses of EN-7 and EN-8 in an abnormal thermal environment.
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The field of oxide electronics has seen tremendous growth over two decades and oxide materials find wide-ranging applications in information storage, fuel cells, batteries, and more. Phase transitions, such as magnetic and metal-to-insulator transitions, are one of the most important phenomena in oxide nanostructures. Many novel devices utilizing these phase transitions have been proposed, ranging from ultrafast switches for logic applications to low power memory structures. Yet, despite this promise and many years of research, a complete understanding of phase transitions in oxide nanostructures remains elusive. In this LDRD, we report two important observations of phase transitions. We conducted a systematic study of these transitions. Moreover, emergent quantum phenomena due to the strong correlations and interactions among the charge, orbital, and spin degrees of freedom inherent in transition metal oxides were explored. In addition, a new, fast atomic-scale chemical imaging technique developed through the characterization of these oxides is presented.
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This report highlights the community commitment plan for SNL in 2017.
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Sandia National Laboratories has a long history of significant contributions to the high performance community and industry. Our innovative computer architectures allowed the United States to become the first to break the teraFLOP barrier—propelling us to the international spotlight. Our advanced simulation and modeling capabilities have been integral in high consequence US operations such as Operation Burnt Frost. Strong partnerships with industry leaders, such as Cray, Inc. and Goodyear, have enabled them to leverage our high performance computing (HPC) capabilities to gain a tremendous competitive edge in the marketplace. As part of our continuing commitment to providing modern computing infrastructure and systems in support of Sandia missions, we made a major investment in expanding Building 725 to serve as the new home of HPC systems at Sandia. Work is expected to be completed in 2018 and will result in a modern facility of approximately 15,000 square feet of computer center space. The facility will be ready to house the newest National Nuclear Security Administration/Advanced Simulation and Computing (NNSA/ASC) Prototype platform being acquired by Sandia, with delivery in late 2019 or early 2020. This new system will enable continuing advances by Sandia science and engineering staff in the areas of operating system R&D, operation cost effectiveness (power and innovative cooling technologies), user environment and application code performance.
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Finite element in angle formulations of the charged particle transport equation require the discretization of the unit sphere. In Sceptre, a three-dimensional surface mesh of a sphere is transformed into a two-dimensional mesh. Projection of a sphere onto a two-dimensional surface is well studied with map makers spending the last few centuries attempting to create maps that preserve proportion and area. Using these techniques, various meshing schemes for the unit sphere were investigated.
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In this report we overview the fundamental concepts for a pair of techniques which together greatly hasten computational predictions of electromagnetic pulse (EMP) excitation of finite-length dissipative conductors over a ground plane. In a time- domain, transmission line (TL) model implementation, predictions are computationally bottlenecked time-wise, either for late-time predictions (about 100ns-10000ns range) or predictions concerning EMP excitation of long TLs (order of kilometers or more ). This is because the method requires a temporal convolution to account for the losses in the ground. Addressing this to facilitate practical simulation of EMP excitation of TLs, we first apply a technique to extract an (approximate) complex exponential function basis-fit to the ground/Earth's impedance function, followed by incorporating this into a recursion-based convolution acceleration technique. Because the recursion-based method only requires the evaluation of the most recent voltage history data (versus the entire history in a "brute-force" convolution evaluation), we achieve necessary time speed- ups across a variety of TL/Earth geometry/material scenarios. Intentionally Left Blank
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Sandia National Laboratories has tested and evaluated three seismometers, the Trillium 120PH, manufactured by Nanometrics. These seismometers measure broadband ground velocity using a UVW configuration with feedback control in a mechanically levelled borehole package. The purpose of the seismometer evaluation was to determine a measured sensitivity, response, self- noise, dynamic range, and self-calibration ability. The Nanometrics Trillium 120PH seismometers are being evaluated for the U.S. Air Force as part of their Next Generation Qualification effort.
Once a geological repository has begun operations, the encapsulation and disposal of spent fuel will be performed as a continuous, industrial-scale series of processes, during which time safeguards seals will be applied to transportation casks before shipment from an encapsulation plant, and then verified and removed following receipt at the repository. These operations will occur approximately daily during several decades of Sweden's repository operation; however, requiring safeguards inspectors to perform the application, verification, and removal of every seal would be an onerous burden on International Atomic Energy Agency's (IAEA's) resources. Current IAEA practice includes allowing operators to either apply seals or remove them, but not both, so the daily task of either applying or verifying and removing would still require continuous presence of IAEA inspectors at one site at least. Of special importance is the inability to re-verify cask or canisters from which seals have been removed and the canisters emplaced underground. Successfully designing seals that can be applied, verified and removed by an operator with IAEA approval could impact more than repository shipments, but other applications as well, potentially reducing inspector burdens for a wide range of such duties.
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The Department of Energy/Office of Electricity Delivery and Energy Reliability (DOE/OE) Cybersecurity for Energy Delivery Systems (CEDS) program is currently evaluating the Roadmap to Achieve Energy Delivery Systems Cybersecurity document that sets a vision and outlines a set of milestones. The milestones are divided into five strategic focus areas that include: 1. Build a Culture of Security; 2. Assess and Monitor Risk; 3. Develop and Implement New Protective Measures to Reduce Risk; 4. Manage Incidents; and 5. Sustain Security Improvements. The most current version of the roadmap was last updated in September of 2016. Sandia National Laboratories (SNL) has been tasked with revisiting the roadmap to update the current state of energy delivery systems cybersecurity protections. SNL is currently working with previous and current partners to provide feedback on which of the roadmap milestones have been met and to identify any preexisting or new gaps that are not addressed by the roadmap. The specific focus areas SNL was asked to evaluate are: 1. Develop and Implement New Protective Measures to Reduce Risk and 2. Sustain Security Improvements. SNL has formed an Industry Advisory Board (IAB) to assist in answering these questions. The IAB consists of previous partners on past CEDS funded efforts as well as new collaborators that have unique insights into the current state of cybersecurity within energy delivery systems. The IAB includes asset owners, utilities and vendors of control systems. SNL will continue to maintain regular communications with the IAB to provide various perspectives on potential future updates to further improve the breadth of cybersecurity coverage of the roadmap.
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