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DOE OSTI2025

2020 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is essential for addressing the increasingly complex national workforce demands stemming from the growth of computational science and engineering challenges. Computational science and engineering (CSE) takes a multidisciplinary approach that utilizes scientific computing to tackle practical problems and provide technical tools across the spectrum of scientific discovery. The DOE CSGF specifically highlights high-performance computing (HPC) as a critical enabling technology in CSE, driving advancements in science and engineering that are vital to both the DOE and the broader economy. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines have been transformed through the augmentation of scientific observation via HPC. At government laboratories, academic institutions, and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, quantum information systems, fusion-reactor design, machine learning, additive manufacturing, nano materials for next-generation batteries and transistors, and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing. Computational biology, machine learning, and quantum computing are among the subjects that began to swell in the ranks of CSGF applicants before the labs were hiring as high a percentage of employees in these categories.” The explosion of scientific and technological data has heightened the demand for advanced high-performance computing (HPC) to transform these data into meaningful scientific insights. As access to vast amounts of data increases, the fields of Machine Learning and Artificial Intelligence are experiencing a resurgence, enhancing the established practices of computational modeling and simulation. In its September 2020 subcommittee report on "AI/ML, Data Intensive Science, and High-Performance Computing," the DOE Advanced Scientific Computing Advisory Committee (ASCAC) specifically called for a fellowship program to train computational and data scientists to address exascale and data-intensive computing challenges. This integration of empirical and theoretical modeling will increasingly guide federal policymakers in making decisions that impact American society and future generations. It demands a workforce of highly skilled and intellectually agile computational scientists capable of navigating the rapid advancements in scientific computing within the DOE National Laboratory research environment. The DOE CSGF program has consistently addressed this critical need.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

GHEP WIBT (Guidelines for Home Energy Professionals Weatherization Installer Badges Toolkit) [SWR-20-69]

The National Renewable Energy Laboratory (NREL) and the U.S. Department of Energy's (DOE) Weatherization Assistance Program (WAP) are collaborating with the home energy retrofit industry to support the development of skilled workers. The Installer Badges Toolkit provides a flexible, customizable, and voluntary approach to training and skills recognition for WAP implementers, utility programs, private-sector workers, and contractors. In Fiscal Year 2018, DOE, along with the Crew Leader scheme committee, determined the Retrofit Installer Technician (RIT) Job Task Analysis (JTA) could be eliminated and its tasks inserted in the Crew Leader JTA. The RIT tasks became the basis of the Installer Badges. The Badges Toolkit was updated in 2020 to add licensing and copyright agreements. Users must cite the copyright information when using or distributing copies of the Badges Toolkit in any way. The technical content has remained unchanged from previous versions of the Badges Toolkit. The Toolkit for home retrofits consists of 25 Badges, each representing different energy efficiency tasks that an installer could perform on a home. Each Badge defines the desired outcome, criteria to verify, applicable material requirements, and references to Standard Work Specifications (SWS) or other relevant standards. The Badges provide a consistent approach to training by ensuring that installers in different regions are learning the same skills nationwide. Organizations can also customize the Toolkit by choosing only those Badges that are relevant to their program. The Badges Toolkit includes five pieces: "How to Use the Badges Toolkit" provides a brief overview of how a Grantee, Subgrantee, or training provider may approach using the toolkit. The "Badges Toolkit: Worksheet" includes what to consider when determining whether and how to best incorporate the Badges into a weatherization assistance program. The "Crew Leader Job Task Analysis Spreadsheet" indicates how the Badges align with specific areas of the JTA. The "Installer Badges Passport" features separate pages for each Badge, which include places for the installer and the supervisor/trainer to record the number of times a task has been successfully completed. The "Installer Badges Verification Criteria" includes sample inspection checklists for each Badge. These can be modified as needed based on approved variance requests or more stringent requirements. They also provide a basis for consistent inspections and awarding of Badges. Note: All elements of the Badges Toolkit are designed for use by potential program implementers. They are not off-the-shelf products intended for immediate deployment. Program implementers must review and modify as needed, revise verification criteria to match local requirements, complete worksheets, and otherwise define the parameters of their own badging program.

Desai, Jal↗

DOE OSTI2026

A Simple Panel System to Overcome Interface Challenges for Retrofits: Preprint

Retrofitting buildings is usually an expensive and labor-intensive process. Weatherization measures can improve comfort and energy affordability to some extent, but deep energy retrofits are needed to optimize performance and comfort, and to achieve significant energy cost savings. Barriers to deep energy retrofits include a limited supply of skilled labor, different building types, planning complexity, split incentives, and a long or non-existent ROI horizon. The "Simple Panel System" (SPS) workflow developed and demonstrated in this effort streamlines deep energy retrofits by applying advanced site capture, machine learning, and mixed reality to panelized construction. The result is a one-stop, product-independent solution for rapidly scalable retrofits with the potential to reduce construction time and project costs by 50%. Soft costs are reduced by more than 66%, total costs by more than 50%, and field construction time by more than 50% - not to mention the reduction in construction waste, improvement in working conditions, and the ability to scale without an influx of skilled labor. This paper presents the SPS and the preliminary results and findings from the pilot project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRSDate not supplied

Thinking Inside the Box: A Hands-On Student Activity for Building a Contamination Containment Glovebox to Encourage Problem Solving in a Collaborative Environment

Contamination containment gloveboxes are sealed containers where operators outside the glovebox can safely manipulate hazardous or contamination-sensitive materials inside the glovebox through glove ports on the container. Containment gloveboxes are used in the space industry to study sample materials returned from space such as lunar, asteroid, and comet materials, to manufacture sensitive instruments and space ight hardware, and to perform contamination-sensitive experiments. A hands-on activity has been developed by contamination control engineer and STEM education experts as part of the Virginia Earth System Science Scholars (VESSS) summer academy program to teach high school students about gloveboxes and about problem solving in a collaborative environment. In this activity, student teams are given a list of common household materials (e.g. plastic bags, plastic straws, aluminum foil, tape, disposable gloves, etc.) for building their own glovebox. Students work together to sketch and design their glovebox before being provided a kit of materials, which they must purchase along with any extra materials with a mock team budget. They are given 30 minutes to build their glovebox, however, they do not know what will be placed inside the glovebox or what operations they will need to perform within the glovebox. At the end of the build time, teams are given a small, sealed paper envelope which they place in the glovebox. Each team selects a team member to be designated as the operator, and the operator places their hands in the gloves of the glovebox. The operator uses their gloves to open the envelope in the glovebox, and they discover they have 20 minutes to assemble a jigsaw puzzle. However, the puzzle is \contaminated" with talcum powder. After the 20 minute time period, teams are judged on how well they completed and cleaned the contaminated puzzle. In a post-activity debrief, teams discuss lessons learned such as how the actual built box di ered from the sketched design, the challenge of managing a budget for materials, how the team dealt with surprises, and if their glovebox allowed enough room for the operator to perform the task. This activity has been part of the VESSS summer academy since 2016, and teaches students teamwork, creativity, hands-on experimentation, communication, and reasoning skills. In a demonstration at IAC, a volunteer from the audience will be chosen to assemble a glovebox during the presentation using the same kit of materials and will demonstrate handling puzzle pieces in the completed glovebox.

Elaine Seasly↗

NASA NTRS1992

Space Resources

Space resources must be used to support life on the Moon and exploration of Mars. Just as the pioneers applied the tools they brought with them to resources they found along the way rather than trying to haul all their needs over a long supply line, so too must space travelers apply their high technology tools to local resources. The pioneers refilled their water barrels at each river they forded; moonbase inhabitants may use chemical reactors to combine hydrogen brought from Earth with oxygen found in lunar soil to make their water. The pioneers sought temporary shelter under trees or in the lee of a cliff and built sod houses as their first homes on the new land; settlers of the Moon may seek out lava tubes for their shelter or cover space station modules with lunar regolith for radiation protection. The pioneers moved further west from their first settlements, using wagons they had built from local wood and pack animals they had raised; space explorers may use propellant made at a lunar base to take them on to Mars. The concept for this report was developed at a NASA-sponsored summer study in 1984. The program was held on the Scripps campus of the University of California at San Diego (UCSD), under the auspices of the American Society for Engineering Education (ASEE). It was jointly managed under the California Space Inst. and the NASA Johnson Space Center, under the direction of the Office of Aeronautics and Space Technology (OAST) at NASA Headquarters. The study participants (listed in the addendum) included a group of 18 university teachers and researchers (faculty fellows) who were present for the entire 10-week period and a larger group of attendees from universities, Government, and industry who came for a series of four 1-week workshops. The organization of this report follows that of the summer study. Space Resources consists of a brief overview and four detailed technical volumes: (1) Scenarios; (2) Energy, Power, and Transport; (3) Materials; (4) Social Concerns. Although many of the included papers got their impetus from workshop discussions, most have been written since then, thus allowing the authors to base new applications on established information and tested technology. All these papers have been updated to include the authors' current work. This overview, drafted by faculty fellow Jim Burke, describes the findings of the summer study, as participants explored the use of space resources in the development of future space activities and defined the necessary research and development that must precede the practical utilization of these resources. Space resources considered included lunar soil, oxygen derived from lunar soil, material retrieved from near-Earth asteroids, abundant sunlight, low gravity, and high vacuum. The study participants analyzed the direct use of these resources, the potential demand for products from them, the techniques for retrieving and processing space resources, the necessary infrastructure, and the economic tradeoffs. This is certainly not the first report to urge the utilization of space resources in the development of space activities. In fact, Space Resources may be seen as the third of a trilogy of NASA Special Publications reporting such ideas arising from similar studies. It has been preceded by Space Settlements: A Design Study (NASA SP-413) and Space Resources and Space Settlements (NASA SP-428). And other, contemporaneous reports have responded to the same themes. The National Commission on Space, led by Thomas Paine, in Pioneering the Space Frontier, and the NASA task force led by astronaut Sally Ride, in Leadership and America's Future in Space, also emphasize expansion of the space Infrastructure; more detailed exploration of the Moon, Mars, and asteroids; an early start on the development of the technology necessary for using space resources; and systematic development of the skills necessary for long-term human presence in space. Our report does not represent any Government-authorized view or official NASA policy. NASA's official response to these challenging opportunities must be found in the reports of its Office of Exploration, which was established in 1987. That office's report, released in November 1989, of a 90-day study of possible plans for human exploration of the Moon and Mars is NASA's response to the new initiative proposed by President Bush on July 20, 1989, the 20th anniversary of the Apollo 11 landing on the Moon: "First, for the coming decade, for the 1990s, Space Station Freedom, our critical next step in all our space endeavors. And next, for the new century, back to the Moon, back to the future, and this time, back to stay. And then a journey into tomorrow, a journey to another planet, a manned mission to Mars." This report, Space Resources, offers substantiation for NASA's bid to carry out that new initiative.

McKay, Mary Fae↗

NASA NTRS2016

Additive Manufacturing, Design, Testing, and Fabrication: A Full Engineering Experience at JSC

I worked on several projects this term. While most projects involved additive manufacturing, I was also involved with two design projects, two testing projects, and a fabrication project. The primary mentor for these was Richard Hagen. Secondary mentors were Hai Nguyen, Khadijah Shariff, and fabrication training from James Brown. Overall, my experience at JSC has been successful and what I have learned will continue to help me in my engineering education and profession long after I leave. My 3D printing projects ranged from less than a 1 cubic centimeter to about 1 cubic foot and involved several printers using different printing technologies. It was exciting to become familiar with printing technologies such as industrial grade FDM (Fused Deposition Modeling), the relatively new SLA (Stereolithography), and PolyJet. My primary duty with the FDM printers was to model parts that came in from various sources to print effectively and efficiently. Using methods my mentor taught me and the Stratasys Insight software, I was able to minimize imperfections, hasten build time, improve strength for specific forces (tensile, shear, etc...), and reduce likelihood of a print-failure. Also using FDM, I learned how to repair a part after it was printed. This is done by using a special kind of glue that chemically melts the two faces of plastic parts together to form a fused interface. My first goal with SLA technology was to bring the printer back to operational readiness. In becoming familiar with the Pegasus SLA printer, I researched the leveling, laser settings, and different vats to hold liquid material. With this research, I was successfully able to bring the Pegasus back online and have successfully printed multiple sample parts as well as functional parts. My experience with PolyJet technology has been focused on an understanding of the abilities/limits, costs, and the maintenance for daily use. Still upcoming will be experience with using a composite printer that uses FDM technology to print plastic while laying an internal filament of Kevlar or carbon-fiber inside the printed material. It has been incredible being exposed to this range of technologies and I feel very fortunate to be ready for virtually any kind of printing technology I come across in the future. Design work played a part in my internship this term as well. Working with Hai Nguyen, I was able to design a set of testing tips and a test frame for use with an Arcjet. The testing tips will be made of several different materials that will possibly be used in the heat shield of the Orion space craft. These designs included technical drawings that were presented to the fabrication shop. The frame design was created from 80/20 (a popular brand of frame construction equipment) and included an order form with pricing for fabrication. An independent design was also done for the virtual reality lab. This design was to create a hand-controller based on a previous design. This final design was sent directly to a 3D printer without technical drawings. Overall, my design work has given me experience with using 80/20, helped improve my CAD (Computer Aided Design) proficiency, and increased my knowledge of how to set up technical drawings for fabrication. The final role I have played in this internship has been to assist with testing of the inflatable technology materials working Khadijah Shariff. I began the internship assisting with permeability testing with the initial plan to continue the testing independently after training. Unfortunately, the testing apparatus suffered a technical failure and had funding pulled which cancelled that portion of the project. Further testing with inflatable technology continued with tensile testing of various stitching methods. This testing took place over a two-days and concluded successfully. Final testing was to be more tensile testing but of straps used to connect various inflatable sections. Unfortunately, the needed grips for the tensile tests could not be located and put the testing on hold. It is possible this round of testing will still take place by the end of the internship if the grips can be found. Overall, this portion of the internship has helped me become familiar with one kind of permeability test as well as a popular tensile/compression testing machine. Finally, I also had the chance to be trained using a metal lathe for making very small tips for a soldering iron. These tips will be used to melt threaded brass inserts into 3D printed plastic. Working with James Brown, I was able to successfully machine a brass rod down to as little as 0.064 inches plus or minus 0.001 inches. It was very rewarding to learn how to best use the machine and become familiar with a skill that will undoubtedly be used again in the future. I have been told by several professional engineers that learning to use a lathe and mill will be invaluable skills in the field. This knocks 50 percent of that goal off and I look forward to learning the mill at some point in the future. As is apparent with this list of projects, my internship was not focused on a single over-arching goal. Instead, I was able to gain experience in a myriad of very different areas. I feel like my time here was spent bouncing from one project to the next. Though sometimes difficult to switch gears, it was very rewarding to be a part of so much in so little time. My career and education will be positively impacted by what I have learned at JSC. My experience with 3D printing has improved my ability to handle many issues that may come up in the future with multiple different technologies. The design work I took part in, especially creating technical drawings, will help me better present designs to any engineer or shop I will encounter. My testing experience has helped me become familiar with a popular kind of tensile test machine that will likely be similar to the kinds I will encounter in the future. Finally, my experience with fabrication has given me a rare opportunity, as an engineer, to take part in the fabrication of a part. This experience will help me better tailor my future designs for the manufacturing process and has given me an appreciation for detailed/delicate machining work. My experience at JSC has been successful and will continue to assist me for a long time within the engineering field.

Zusack, Steven↗

DOE OSTI2022

Development of Carbon Molecular Sieves Hollow Fiber Membranes based on Polybenzimidazole Doped with Polyprotic Acids with Superior H 2 /CO 2 Separation Properties (Final Report)

The goal of this project was to develop a highly efficient membrane-based process to capture CO 2 from coal-derived syngas with 95% CO 2 purity, achieving the cost of electricity (COE) 30% below the baseline capture approaches (i.e., Selexol process) when coupled with the advancement in other areas of the power generation facility. Our core approach is based on high-permeance hollow fiber membranes (HFMs) with superior H 2 /CO 2 separation properties at the syngas process conditions, which can then be further utilized to design membrane reactors for process intensification of H 2 production and purification and CO 2 capture. Three organizations with complementary skills collaborated to achieve the goal, including the University at Buffalo (UB), Los Alamos National Laboratory (LANL), and Trimeric Corporation (Trimeric). We formulated logical steps to bring the membrane technology from Technology Readiness Level (TRL) 3 (Experimental proof of concept) to TRL 4 (Laboratory scale validation in relevant environment). During the budget period (BP) 1, we screened various polymeric materials and identified polybenzimidazole doped with inorganic polyprotic acids as the desirable platform. The acid doping increases the H 2 /CO 2 selectivity, and the sequential carbonization increases H 2 permeability while retaining the high selectivity. By manipulating the acid type and doping level and the carbonization temperature, we demonstrated advanced carbon molecular sieving (CMS) materials with H 2 permeability of above 200 Barrer (1 Barrer = 10 -10 cm 3 (STP) cm cm -2 s -2 cmHg -1 ) and H 2 /CO 2 selectivity of above 40 at 200-300°C with simulated syngas containing CO and water vapor. For example, the PBI-(H 3 PO 4 ) 0.11 carbonized at 700 °C exhibits H 2 permeability of 200 Barrer and H 2 /CO 2 selectivity of 60 at 200 °C, and H 2 permeability of 240 Barrer and H 2 /CO 2 selectivity of 54 at 225 °C, which meets the targeted properties and surpasses Robeson’s upper bound. During the BP2, we focused on the conversion of the advanced CMS materials to stable HFMs. Membranes with H 2 permeance of 1,090 GPU (1 GPU = 10 -6 cm 3 (STP) cm -2 s -2 cmHg -1 ) and H 2 /CO 2 selectivity of 57 at 300 °C were successfully fabricated. The effects of temperature, gas compositions, pressure, and time on the separation properties were systematically investigated. Pencil modules were continuously evaluated for 219 h (dry pure gas) and 669 h (dry simulated syngas) and showed initial decline in permeance and increased H 2 /CO 2 selectivity over time, ultimately achieving a steady state stable value, indicating that the ageing phenomena in the nanoporous structures of the membranes during the test. Membrane reactors were fabricated based on the CMS membranes and evaluated for water-gas shift (WGS) reaction. The use of membranes slightly improves the conversion of the CO. However, parametric tests of the membrane reactors at various temperatures and flow rates need to be conducted, as well as the membranes with improved separation performance. We performed a sensitivity analysis on the impact of H 2 /CO 2 selectivity on the COE based on a hybrid process of a membrane unit and cryogenic unit developed by Membrane Technology and Research, Inc. (MTR). Three H 2 /CO 2 selectivity (40, 60, and 15) cases were developed and compared with the baseline capture process (Case B5B) provided by the DOE report. Increasing the membrane H 2 /CO 2 selectivity reduces COE, but the rate of the decrease of COE also diminishes. The COE values for H 2 /CO 2 selectivities of 40 and 60 were nearly the same. As the H 2 /CO 2 selectivity increases, the inert recycling decreases, leading to smaller equipment, less auxiliary power requirements, and less heating, cooling, and refrigeration duty. The refrigeration system used to liquefy the CO 2 is the most expensive piece of equipment and consumes the most electricity within the CO 2 capture process. Increasing the CO 2 concentration in the recycle stream would improve the economics of the process by reducing the refrigeration duty requirement of the unit and also allow for higher liquefaction temperatures. The high H 2 -selective membrane developed by our team may be applicable in other separation processes where lower pressure H 2 retains value. Typically, hydrogen retains its pressure when it is separated from syngas components. Residual components may be used as low-quality fuel and then vented to the atmosphere. Applications might include control of H 2 /CO ratios or mitigation of the water gas shift reaction by CO 2 recycling to the feed of a gasifier or steam methane reformer. To summarize, we have developed industrial HFMs with the best H 2 /CO 2 separation performance reported in the literature. The membranes demonstrate stability with simulated syngas and show great potential for membrane reactors for WGS reactions, lowering the cost of blue H 2 production.

20 FOSSIL-FUELED POWER PLANTS↗