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DOE OSTI2016

Advanced Infusion Techniques with 3-D Printed Tooling

The manufacturing of tooling for large, contoured surfaces for fiber-layup applications requires significant effort to understand the geometry and then to subtractively manufacture the tool. Traditional methods for the auto industry use clay that is hand sculpted. In the marine pleasure craft industry, the exterior of the model is formed from a foam lay-up that is either hand cut or machined to create smooth lines. Engineers and researchers at Oak Ridge National Laboratory s Manufacturing Demonstration Facility (ORNL MDF) collaborated with Magnum Venus Products (MVP) in the development of a process for reproducing legacy whitewater adventure craft via digital scanning and large scale 3-D printed layup molds. The process entailed 3D scanning a legacy canoe form, converting that form to a CAD model, additively manufacturing (3-D Print) the mold tool, and subtractively finishing the mold s transfer surfaces. Future work will include applying a gelcoat to the mold transfer surface and infusing using vacuum assisted resin transfer molding, or VARTM principles, to create a watertight vessel. The outlined steps were performed on a specific canoe geometry found by MVP s principal participant. The intent of utilizing this geometry is to develop an energy efficient and marketable process for replicating complex shapes, specifically focusing on this particular watercraft, and provide a finished product for demonstration to the composites industry. The culminating part produced through this agreement has been slated for public presentation and potential demonstration at the 2016 CAMX (Composites and Advanced Materials eXpo) exposition in Anaheim, CA. Phase I of this collaborative research and development agreement (MDF-15-68) was conducted under CRADA NFE-15-05575 and was initiated on May 7, 2015, with an introduction to the MVP product line, and concluded in March of 2016 with the printing of and processing of a canoe mold. The project partner Magnum Venous Products (MVP) is a small business. Phase II as discussed herein is under consideration by MVP as of this writing. Overall, it is anticipated that developing this process for manufacturing tooling for complex contoured surfaces has applicability to naval and other watercraft as well as bathrooms and large trucks.

42 ENGINEERING↗

DOE OSTI2016

Contingency Contractor Optimization Phase 3 Sustainment Platform Requirements - Contingency Contractor Optimization Tool - Prototype

Sandia National Laboratories (Sandia) is in Phase 3 Sustainment of development of a prototype tool, currently referred to as the Contingency Contractor Optimization Tool - Prototype (CCOTP), under the direction of OSD Program Support. CCOT-P is intended to help provide senior Department of Defense (DoD) leaders with comprehensive insight into the global availability, readiness and capabilities of the Total Force Mix. The CCOT-P will allow senior decision makers to quickly and accurately assess the impacts, risks and mitigating strategies for proposed changes to force/capabilities assignments, apportionments and allocations options, focusing specifically on contingency contractor planning. During Phase 2 of the program, conducted during fiscal year 2012, Sandia developed an electronic storyboard prototype of the Contingency Contractor Optimization Tool that can be used for communication with senior decision makers and other Operational Contract Support (OCS) stakeholders. Phase 3 used feedback from demonstrations of the electronic storyboard prototype to develop an engineering prototype for planners to evaluate. Sandia worked with the DoD and Joint Chiefs of Staff strategic planning community to get feedback and input to ensure that the engineering prototype was developed to closely align with future planning needs. The intended deployment environment was also a key consideration as this prototype was developed. Initial release of the engineering prototype was done on servers at Sandia in the middle of Phase 3. In 2013, the tool was installed on a production pilot server managed by the OUSD(AT&L) eBusiness Center. The purpose of this document is to specify the CCOT-P engineering prototype platform requirements as of May 2016. Sandia developed the CCOT-P engineering prototype using common technologies to minimize the likelihood of deployment issues. CCOT-P engineering prototype was architected and designed to be as independent as possible of the major deployment components such as the server hardware, the server operating system, the database, and the web server. This document describes the platform requirements, the architecture, and the implementation details of the CCOT-P engineering prototype.

42 ENGINEERING↗

DOE OSTI2016

The EPSA Project Finance Mapping Tool

The Energy Policy and Systems Analysis Office of DOE has requested a tool to compare the impact of various Federal policies on the financial viability of generation resources across the country. Policy options could include production tax credits, investment tax credits, solar renewable energy credits, tax abatement, accelerated depreciation, tax-free loans, and others. The tool would model the finances of projects in all fifty states, and possibly other geographic units like utility service territories and RTO/ISO territories. The tool would consider the facility s cost, financing, production, and revenues under different capital and market structures to determine things like levelized cost of energy, return on equity, and cost impacts on others (e.g., load-serving entities, society.) The tool would compare the cost and value of the facility to the local regional alternatives to determine how and where policy levers may provide sufficient incremental value to motivate investment. The results will be displayed through a purpose-built visualization that maps geographic variations and shows associated figures and tables.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

The ISO 50001 Impact Estimator Tool (IET 50001 V1.1.4) - User Guide and Introduction to the ISO 50001 Impacts Methodology

ISO 50001-Energy management systems – Requirements with guidance for use, is an internationally developed standard that provides organizations with a flexible framework for implementing an energy management system (EnMS) with the goal of continual energy performance improvement. The ISO 50001 standard was first published in 2011 and has since seen growth in the number of certificates issued around the world, primarily in the industrial (agriculture, manufacturing, and mining) and service (commercial) sectors. Policy makers in many regions and countries are looking to or are already using ISO 50001 as a basis for energy efficiency, carbon reduction, and other energy performance improvement schemes. The Impact Estimator Tool 50001 (IET 50001 Tool) is a computational model developed to assist researchers and policy makers determine the potential impact of ISO 50001 implementation in the industrial and service (commercial) sectors for a given region or country. The IET 50001 Tool is based upon a methodology initially developed by the Lawrence Berkeley National Laboratory that has been improved upon and vetted by a group of international researchers. By using a commonly accepted and transparent methodology, users of the IET 50001 Tool can easily and clearly communicate the potential impact of ISO 50001 for a region or country.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Open source Modeling and optimization tools for Planning

Open source modeling and optimization tools for planning The existing tools and software used for planning and analysis in California are either expensive, difficult to use, or not generally accessible to a large number of participants. These limitations restrict the availability of participants for larger scale energy and grid studies in the state. The proposed initiative would build upon federal and state investments in open source software, and create and improve open source tools for use in the state planning and analysis activities. Computational analysis and simulation frameworks in development at national labs and universities can be brought forward to complement existing tools. An open source platform would provide a path for novel techniques and strategies to be brought into the larger community and reviewed by a broad set of stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

International Scavenging for First Responder Guidance and Tools: IAEA Products

In fiscal years (FY) 2016 and 2017, with support from the U.S. Department of Homeland Security (DHS), Brookhaven National Laboratory (BNL) examined the International Atomic Energy Agency (IAEA) radiological emergency response and preparedness products (guidance and tools) to determine which of these products could be useful to U.S. first responders. The IAEA Incident and Emergency Centre (IEC), which is responsible for emergency preparedness and response, offers a range of tools and guidance documents for responders in recognizing, responding to, and recovering from radiation emergencies and incidents. In order to implement this project, BNL obtained all potentially relevant tools and products produced by the IAEA IEC and analyzed these materials to determine their relevance to first responders in the U.S. Subsequently, BNL organized and hosted a workshop at DHS National Urban Security Technology Laboratory (NUSTL) for U.S. first responders to examine and evaluate IAEA products to consider their applicability to the United States. This report documents and describes the First Responder Product Evaluation Workshop, and provides recommendations on potential steps the U.S. federal government could take to make IAEA guidance and tools useful to U.S. responders.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2017

Chemical Tool Peer Review Summary.

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.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

A Numerical Tool for the Design of Enhanced Geothermal Reservoirs based on Modeling of Thermo-Hydro-Mechanical Processes and Explicit Representation of 3D Discrete Fracture Networks

This project has developed a coupled thermo-hydro-mechanical numerical modeling tool for prediction of energy production from Enhanced Geothermal Reservoirs (EGS). The tool is unique because it can explicitly represent thousands of pre-existing natural fractures. The capabilities developed in this project were built on the already existing expertise of Itasca arising from thirty years of research and development in discrete element modeling of fractured rocks. A thermal module suitable for analysis of different heat transfer mechanisms in fractured rocks percolated by fluids was developed and coupled with the already existing hydro-mechanical calculation in 3DEC, a commercial software for analysis of jointed rock based on the discrete element method (DEM). The heat transfer module simulates heat conduction, heat advection by moving fluid in rock fractures, and convective heat exchange at the fracture walls between the rock and the moving fluid. Techniques for spatial discretization of heat transfer in EGS-type problems were evaluated, and a boundary layer meshing approach was developed. Also, given the significant differences in time scale of physical processes involved, temporal integration schemes for coupled advection-diffusion processes and coupled thermal-hydro-mechanical processes were developed by taking advantage of both implicit and explicit time integration and also optimizing the coupling intervals. These improvements were necessary for modeling EGS reservoirs. Also, the DFN capacities in 3DEC were extended to include a larger number of fractures. Research was carried out on approaches to simplify the DFN so that the model can meet computational demands, while preserving thermo-hydro-mechanical characteristics of the DFN. The developed modules were coupled with the already existing capabilities of 3DEC. The results were presented as a submitted conference paper (Riahi et al., 2018a). A series of benchmark and test examples showed the developed capabilities. Finally, the developed tool was tested for a large-scale reservoir model for longer periods of injection and production. The thermal draw-down curves were generated and presented. The project successfully met all the milestones laid out in the proposal. Results demonstrated the feasibility of developing a fast and reliable software for the EGS community to use for assessment and prediction of reservoir performance. Some of its applications include assessment of stimulated volume and produced temperature and power. It can also be used for improved engineering, design and optimization of EGS reservoirs as well as other unconventional resources such as shale gas. Finally, the 3D analysis presented in this study showed that simulating EGS reservoirs with tens of thousands of fractures is feasible, and confirmed that the developed tool can serve toward meeting the goals and objectives of Geothermal Technologies Office in overcoming technical barriers associated with commercial EGS development.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Summer Report: Tool Integration for Variable-Precision Computing

This summer I worked in the tools group of the variable-precision computing effort at Lawrence Livermore National Laboratory (LLNL). I coordinated an integration project that combined three existing tools into a single pipeline for automated mixed-precision tuning at the source code level. This involved coordinating efforts between several different project groups and making improvements to all three tools. Two of the tools are already available publicly as open-source projects, and the third has been submitted for release. This document serves as an overview of the summer's efforts, focusing on our contributions as well as ideas for future work.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Contingency Contractor Optimization Phase 3 Extension User Manual Contingency: Contractor Optimization Tool - Engineering Prototype (Release 2.3)

This User Manual provides step-by-step instructions on the Contingency Contractor Optimization Tool's major features. Activities are organized by user role. The Contingency Contractor Optimization project is intended to address former Secretary Gates' mandate in a January 2011 memo and DoDI 3020.41 by delivering a centralized strategic planning tool that allows senior decision makers to quickly and accurately assess the impacts, risks, and mitigation strategies associated with utilizing contract support. Based on an electronic storyboard prototype developed in Phase 2, the Contingency Contractor Optimization Tool engineering prototype was refined in Phase 3 of the OSD ATL Contingency Contractor Optimization project to support strategic planning for contingency contractors. The planning tool uses a model to optimize the Total Force mix by minimizing the combined total costs for the selected mission scenarios. The model will optimize the match of personnel groups (military, DoD civilian, and contractors) and capabilities to meet the mission requirements as effectively as possible, based on risk, cost, and other requirements.

42 ENGINEERING↗

DOE OSTI2015

Contingency Contractor Optimization Phase 3 User Manual - Contingency Contractor Optimization Tool Prototype - Release 2.2

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

National Hurricane Program Hurricane Evacuation Study Tool End-User Engagement and Usability Analysis

The Hurricane Evacuation Study (HES) Tool prototype is a key component of the Federal Emergency Management Agency (FEMA) National Hurricane Program (NHP) Technology Modernization (TM) effort. To ensure the HES Tool captured the necessary capabilities and functionality, engagement with potential end-users and key stakeholders was considered a priority throughout development. Pilot studies with representatives from North Carolina and New York City were done to validate the HES Tool process with their current HES undertaking. These pilot studies let the development of additional capabilities and feedback on the needs of diverse regions. A usability study was carried out with key stakeholders identified by NHP leadership through individualized sessions with identified personnel. The results showed the value of the HES Tool compared to the current process as well as key issues that must be addressed to ensure a final transition.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Washington State Highway Bridge Seismic Screening Tool (BSST) (Technical Report)

The Regional Resiliency Assessment Program (RRAP) is a cooperative assessment of specific critical infrastructure within a designated geographic area and a regional analysis of the surrounding infrastructure that addresses a range of infrastructure resilience issues that could have regionally and nationally significant consequences. In 2017, the U.S. Department of Homeland Security’s Cybersecurity and Infrastructure Security Agency (CISA) sponsored the Washington State Transportation Systems RRAP project in coordination with the Washington Emergency Management Division (EMD), Washington State Department of Transportation (WSDOT), and other regional stakeholders. This project is focused on assessing the impacts of a Cascadia Subduction Zone (CSZ) earthquake on state transportation systems and, in particular, how those impacts may affect the ability of emergency response efforts to move supplies into the region. The intended outcome of this analysis is the prioritization of transportation routes and modes for additional planning, investment, hardening, or other activities to enhance their resilience - and therefore, to enhance their ability to support response and recovery efforts following a CSZ earthquake. An important part of this transportation system-level assessment has been to assess the seismic vulnerability of the state highway system. In doing so, the RRAP project team developed a Bridge Seismic Screening Tool (BSST) to assess, at a system-level, the potential impacts that a CSZ earthquake could have on state highway bridges. The first step in the BSST is to assess the seismic vulnerability of highway bridge infrastructure in Washington State following a CSZ earthquake to determine a projected or potential damage state. Damage states are then used to determine approximate reopening times for bridge crossings.2 This document provides details on the methodological development of the BSST, the implementation of that tool to analyze the projected damage incurred in a CSZ earthquake scenario, and the determination of corresponding reopening times of interstate and state highway bridges following such an event. The BSST was implemented programmatically using a Microsoft Excel macro-enabled workbook; instructions on use of this tool are provided in the accompanying report, Washington State Highway Bridge Seismic Screening Tool (BSST) - User Manual.

42 ENGINEERING↗

DOE OSTI2016

Contingency Contractor Optimization Tool Prototype (Phase 3 Extension- Analyst Tutorial)

This tutorial walks the user through analysis examples using the Contingency Contractor Optimization Tool Prototype. The examples are designed to showcase key capabilities of the tool. The main goal of this tutorial is to provide examples of how to use the tool to perform analyses to those users acting in the analyst role. All examples and locations used in the prototype are fictional, but are intended to be realistic. Users reading this manual are expected to have a basic understanding and familiarity with the Contingency Contractor Optimization Tool Prototype. This tutorial includes scenarios for the occurrence of two wars, Prussia and New Granada.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2016

Basic Research Needs for Innovation and Discovery of Transformative Experimental Tools

The scientific discoveries that expand the frontiers of human understanding, and that lead to the innovations of our technological world, require scientific tools and instrumentation to enable observation and manipulation of the physical world. As science advances, so too must its tools; the quest for deeper scientific insights and the drive to control chemistry and materials at the atomic and molecular levels require increasingly powerful and sophisticated instruments. A secure energy future requires technologies that use existing resources more efficiently, harness renewable resources, and efficiently store energy. The urgent demand for new energy technologies has ushered in a new era in scientific pursuit to decipher the complexity found at the core of chemical and materials processes, as articulated by the basic energy science research community in its series of Basic Research Needs (BRN) workshops. Historically, novel experimental tools and methods have been foundational in both scientific and technological advances — ranging from high-resolution microscopes that “see” atomic structures, to lithography that has enabled advances in semiconductors and computing. Today, expanding the frontiers of basic research requires new generations of instrumentation to reveal the intricacies of complex materials and chemical systems; energy systems in realistic working environments; and systems that are dynamical, far from equilibrium, and extremely heterogeneous. A concerted effort to invent, design, and build scientific instrumentation will enable new scientific breakthroughs and transformative technologies to address the most pressing energy challenges of the 21st century. To identify the highest priorities for the instrumentation innovation and development needed to address grand challenges in energy sciences, the U.S. Department of Energy’s Office of Basic Energy Sciences sponsored a workshop entitled, “Basic Research Needs for Innovation and Discovery of Transformative Experimental Tools” on June 1–3, 2016 near Washington, D.C. The workshop was attended by approximately 100 leading national and international scientific experts representing areas of basic energy sciences in chemistry, materials, physics, and biology, and included a mix of experimentalists and theorists.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Low Cost (CAPEX and variable): Tool design for cell and module fabrication with thin, free-standing silicon wafers

This project aimed to develop technologies that can potentially enable free-standing thin (<80 μm) wafer in today’s manufacturing lines with high production yield, and thereby reduce capex barriers of silicon photovoltaics cells and modules. One of the major benefits is that thin wafer dramatically reduces the amount of polysilicon required. As a result, it can lead to reduction in the capital expenditures associated with polysilicon refining and wafer fabrication, which together are more than half of the total capital expenditure to manufacture Si PV module. We focused our efforts on developing the tools needed to enable high yield fabrication of wafer, cell, and module with thin silicon wafers. However, as the wafer thickness reduces, the major challenge is that wafer breakage increases significantly. Three technological areas were explored in this project to improve the production yield of the silicon wafer, namely detection of edge cracks via dark-field near-infrared (NIR) scattering; (2) wafer handling using controlled temperature profiles; (3) manufacturable low-stress cell interconnection for multiwire. First, the formation of wafer cracks in submillimeter length is one of the reasons that causes wafer breakages. Crack detection tools are needed to enable us to locate and track the wafer crack during manufacturing, so that we can improve the process to reduce initialization. The state-of-the-art crack detection technique cannot fulfill the need for measuring submillimeter edge cracks detrimental for thin wafers. The prototype developed in this project demonstrates the scanning of microcracks near wafer edges. With a semi-automatic laboratory setup, the submillimeter cracks were reliably detected near the edges in multi-Si wafers. The smallest detectable crack is 200 µm in length in slow scans; and submillimeter cracks are detected in high-throughput scans at the scan speed of >0.5 m/s, which is compatible with the inline detection of a manufacturing line at least 1 sec/wafer. This detection limit is a significant advancement in comparison to the benchmarked industrial tool. Second, wafer handling with the well-controlled temperature profile was thought to be the solution to reduce crack initiation and propagation during the manufacturing. However, without crack detection being widely adopted in production line, we did not find a strong industrial pull toward this technology. We did an initial literature survey and then diverted our efforts to the other tasks. Third, the innovation on low-stress multi-wire interconnection tackles a fundamental problem in the standard interconnection scheme. The standard over-under “zig-zag” interconnection induces a significant amount of stress into the soldering point on the cell whenever PV module is under stress, e.g., thermal cycling, transportation, and installation. Therefore, the interconnection process was re-designed in this project to allow for significant movement between adjacent solar cells, e.g., due to thermal expansion, without building up stresses on the solar cells or solder joints. The new interconnection method with the cross-connect wire also simplifies the tabbing and stringing process by replacing the standard over-under method with an off-cell interconnect from top to bottom. A manual tabbing and stringing tool for this new process was prototyped in the lab to demonstrate the fabrication of this new interconnection design. During the test with brass sheets as our “testing cells”, it was found that the mechanical cycling test only broke the interconnection after more than 50,000 cycles, which is equivalent to more than 130 years of the day-and-night thermal cycles. Lastly, throughout the project, we continuously analyzed the PV market with techno-economic analysis to identify the opportunity for thin Si adoption. Even though the drastic cost reduction has already happened in the past five years, our analysis results indicated that we can still save quite significantly in both manufacturing cost and factory capex, Particularly, in order to grow the PV manufacturing capacity to multi-terawatt level, reducing the thickness of silicon wafer is one of the most effective ways to quickly reduce factory capex, and sustain the high growth rate. The technologies developed in this project are readily available to provide some assistances in tackling the production yield problem.

14 SOLAR ENERGY↗

DOE OSTI2020

Application of the Recharge Estimation Tool (RET) to Prepare Spatially and Temporally Variable Recharge Boundary Conditions for Hanford Site Composite Analysis Vadose Zone Models

This environmental calculation file (ECF) describes the development of a tool for translating recharge estimates into readable input for STOMP© (Subsurface Transport Over Multiple Phases) vadose zone models primarily supporting the vadose zone (VZ) facets of the updated Hanford Site Composite Analysis (CA) and the Hanford Site Cumulative Impact Evaluation (CIE). The recharge estimates are spatiotemporally variable and are produced by the Recharge Evolution Tool (RET) described in Hanford Site-wide Natural Recharge Boundary Condition for Groundwater Models (ECF-HANFORD-15-0019). Outputs from the RET are given in Esri’s™ feature class format with yearly estimates and associated metadata encapsulated in file geodatabase objects. For STOMP models, the translated output is a text file in the format of an input boundary condition card, consistent with STOMP software requirements. The text file contains assimilated spatiotemporal recharge estimates produced by the RET. The tool discussed in this document will be referred to as the “RET2STOMP” tool.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Understanding Interactive and Reproducible Computing With Jupyter Tools at Facilities

Increasingly Jupyter tools are being adopted and incorporated into High Performance Computing (HPC) and scientific user facilities. Adopting Jupyter tools enables more interactive and reproducible computational work at facilities across data life cycles. As the volume, variety, and scope of data grow, scientists need to be able to analyze and share results in user friendly ways. Human-centered research highlights design challenges around computational notebooks, and our qualitative user study shifts focus to better characterize how Jupyter tools are being used in HPC and science user facilities today. We conducted twenty-nine interviews, and obtained 103 survey responses from NERSC Jupyter users, to better understand the increasing role of interactive computing tools in DOE sponsored scientific work. We examine a range of issues that emerge using and supporting Jupyter in HPC ecosystems, including: how Jupyter is being used by scientists in HPC and user facility ecosystems; how facilities are purposefully supporting Jupyter in their ecosystems; feedback NERSC users have about the facility’s deployment, and, discuss features NERSC indicated would be helpful. We offer a variety of takeaways for staff supporting Jupyter at facilities, Project Jupyter and related open source communities, and funding agencies supporting interactive computing work.

97 MATHEMATICS AND COMPUTING↗