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DOE OSTI2022

Transforming Energy Through Computational Excellence: High-Performance Computing for Energy Innovation

The challenges associated with energy efficiency of manufacturing and advanced materials often cannot be addressed through experimentation alone, whether because of scale, complexity, or practicality. High-performance computing (HPC) enables fast tackling of these challenges in the manufacturing sector - vital to achieving net-zero carbon emissions by 2050. The National Renewable Energy Laboratory (NREL) and industry partners leverage HPC to apply advanced modeling, simulation, and data analysis to improve manufacturing efficiency, explore new materials for energy applications, and develop technologies to manage carbon across the life cycle. From improving additive manufacturing processes to increasing the energy efficiency of jet-engine components, advanced computing can help manage emissions produced by manufacturing in a wide variety of ways.

advanced materials↗

DOE OSTI2016

Canada's Underground Research Laboratory (1980-2014) - 16274

In 1980, Canada initiated a long-term, comprehensive research and development program of geologic characterization and large-scale in situ geotechnical experiments in a subsurface facility, the Underground Research Laboratory (URL). The URL was excavated specifically to evaluate the concept of permanent disposal of used CANDU{sup R} nuclear reactor fuel in a deep geological repository (DGR) constructed in Canadian Shield granite. Key phases of the URL included siting, detailed site characterization and monitoring, construction, operation, decommissioning, and closure. Much collaborative research with international organizations was undertaken at the URL and continues, even after the closure of the facility, through the ongoing Enhanced Sealing Project (ESP). The ESP monitors the engineered performance of a full-scale composite shaft seal that was emplaced during URL closure to permanently seal the main URL access shaft across a sub-horizontal hydraulically active fracture zone. Currently the ESP is jointly funded by Canadian Nuclear Laboratories (CNL) (Canada), Posiva (Finland), and Andra (France), and monitoring is planned to continue until the end of 2016. Decades of programmatic experience at the URL have shown that knowledge continuity is integral to supporting the development of a safe geological disposal facility for high level nuclear waste. This paper outlines the history of the URL and describes some technical lessons learned from its 30-plus years of construction, operation, and closure activities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2006

Multiuser Collaboration with Networked Mobile Devices

In this paper we describe a multiuser collaboration infrastructure that enables multiple mission scientists to remotely and collaboratively interact with visualization and planning software, using wireless networked personal digital assistants(PDAs) and other mobile devices. During ground operations of planetary rover and lander missions, scientists need to meet daily to review downlinked data and plan science activities. For example, scientists use the Science Activity Planner (SAP) in the Mars Exploration Rover (MER) mission to visualize downlinked data and plan rover activities during the science meetings [1]. Computer displays are projected onto large screens in the meeting room to enable the scientists to view and discuss downlinked images and data displayed by SAP and other software applications. However, only one person can interact with the software applications because input to the computer is limited to a single mouse and keyboard. As a result, the scientists have to verbally express their intentions, such as selecting a target at a particular location on the Mars terrain image, to that person in order to interact with the applications. This constrains communication and limits the returns of science planning. Furthermore, ground operations for Mars missions are fundamentally constrained by the short turnaround time for science and engineering teams to process and analyze data, plan the next uplink, generate command sequences, and transmit the uplink to the vehicle [2]. Therefore, improving ground operations is crucial to the success of Mars missions. The multiuser collaboration infrastructure enables users to control software applications remotely and collaboratively using mobile devices. The infrastructure includes (1) human-computer interaction techniques to provide natural, fast, and accurate inputs, (2) a communications protocol to ensure reliable and efficient coordination of the input devices and host computers, (3) an application-independent middleware that maintains the states, sessions, and interactions of individual users of the software applications, (4) an application programming interface to enable tight integration of applications and the middleware. The infrastructure is able to support any software applications running under the Windows or Unix platforms. The resulting technologies not only are applicable to NASA mission operations, but also useful in other situations such as design reviews, brainstorming sessions, and business meetings, as they can benefit from having the participants concurrently interact with the software applications (e.g., presentation applications and CAD design tools) to illustrate their ideas and provide inputs.

ground operations↗

NASA NTRS1993

Advanced Small Rocket Chambers. Basic Program and Option 2: Fundamental Processes and Material Evaluation

Propellants, chamber materials, and processes for fabrication of small high performance radiation cooled liquid rocket engines were evaluated to determine candidates for eventual demonstration in flight-type thrusters. Both storable and cryogenic propellant systems were considered. The storable propellant systems chosen for further study were nitrogen tetroxide oxidizer with either hydrazine or monomethylhydrazine as fuel. The cryogenic propellants chosen were oxygen with either hydrogen or methane as fuel. Chamber material candidates were chemical vapor deposition (CVD) rhenium protected from oxidation by CVD iridium for the chamber hot section, and film cooled wrought platinum-rhodium or regeneratively cooled stainless steel for the front end section exposed to partially reacted propellants. Laser diagnostics of the combustion products near the hot chamber surface and measurements at the surface layer were performed in a collaborative program at Sandia National Laboratories, Livermore, CA. The Material Sample Test Apparatus, a laboratory system to simulate the combustion environment in terms of gas and material temperature, composition, and pressure up to 6 Atm, was developed for these studies. Rocket engine simulator studies were conducted to evaluate the materials under simulated combustor flow conditions, in the diagnostic test chamber. These tests used the exhaust species measurement system, a device developed to monitor optically species composition and concentration in the chamber and exhaust by emission and absorption measurements.

Jassowski, Donald M.↗

DOE OSTI2018

International Collaboration Activities on Disposal in Argillite R&D: DECOVALEX19 Task C – Geochemical and Reactive Transport Modeling

International collaborations on nuclear waste disposal R&D are an integral part of the Spent Fuel Waste Science and Technology (SFWST) campaign within the DOE Fuel Cycle and Technology (FCT) program. These partnerships with international repository R&D programs provide key opportunities to participate in experiments developing laboratory/field data (underground research laboratories (URL)) of engineered barrier system (EBS) interactions (e.g., near-field) and characterization of transport phenomena in the host rock (e.g., far-field). The results of these experiments are used in the evaluation of coupled processes and their representation via state-of-the-art simulation approaches to evaluate repository performance. During the thermal heating period, increases in temperature from radionuclide decay in the spent fuel (SF) waste canisters will increase temperature in the surrounding EBS driving chemical and transport processes in the near- and far-field domains of the repository. URL heater-tests for extended periods of times (e.g., years) provide key information and data on thermal effects affecting engineered barriers in response to temperature and water saturation levels. Groundwater interactions with cementitious barriers are also important to in-drift chemistry and EBS performance during post-closure. Descriptions of the various URL experiments for various disposal design concepts according to the host country repository program and relevance to the US program is given elsewhere (Birkholzer et al.,2017;Jové Col& et al., 2016). The DECOVALEX-2019 Task C involves collaboration with the GREET (Groundwater REcovery Experiment in Tunnel) at the Mizunami URL, Japan ,which targets the development of monitoring methodologies of groundwater in granitic rock with applications to THMC simulations (Iwatsuki et al., 2005;Iwatsuki et al.,2015,2017). Some of the goals of GREET is to conduct a facility-scale geochemical characterization study of short- and long-term effects of tunnel excavation activities, impacts on groundwater flow and transport, and influences on groundwater chemistry (Iwatsuki et al.,2015). The data obtained from these URL activities is then used in the development and evaluation of THC models to support post-closure safety and performance assessments of the repository environment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

M3MS-19IN0101201 Modeling Intra-granular Fission Gas Bubble Evolution in Uranium Dioxide during Transients

The SciDAC milestone M3MS-19IN0101201 on Modeling Intra-granular Fission Gas Bubble Evolution in Uranium Dioxide during Transients was completed with the development, testing and implementation in the Bison code of an engineering model for intra-granular fission gas bubble evolution that is applicable to transient conditions. The model extends the previous work on modeling bubble evolution during normal operating conditions to include additional complexity that arises during transient situations, in particular, the so-called intra-granular bubble coarsening. This phenomenon refers to the appearance of a second population of coarsened bubbles with diameters of tens to hundreds of nm, which co-exist with nanometric bubbles present also during normal operating conditions and are responsible for a large portion of transient fuel swelling. The developed model considers growth of bubbles along dislocations, associated with the absorption of vacancies available in the dislocation core region, and favored by pipe diffusion of fission gas atoms. The model also utilizes the formulation for the gas atom resolution rate developed in the present SciDAC project through molecular dynamics simulations by other institutions. The present work therefore demonstrates an operational multiscale approach, based on collaboration within the project. The model is validated to an extensive experimental dataset of ramp tested uranium dioxide fuel samples. Additionally, we present new applications of the base model for bubble evolution during normal operating conditions to Bison engineering simulations of Cr2O3-doped fuel rods irradiated in the Halden reactor. Simulation results in terms of integral fission gas release in the fuel rods are compared to the available experimental data, pointing out significant improvements in the engineering predictions compared to application of the empirical model that was available in Bison before the SciDAC developments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

A core lighting curriculum for university students and lighting professionals

Here, in collaboration with a group of lighting professionals, learning outcomes were defined, prioritized, organized and mapped to a three-course sequence of lighting courses within a Bachelor of Science in Architectural Engineering degree programme. Syllabi and educational exercises were developed to support the learning outcomes – including classroom activities, homework assignments and design projects. The learning exercises balance the technical foundations of applied illuminating engineering with the artistic aspects of applied lighting design and are intended to promote significant and lasting learning by providing students with education that is useful and relevant to current lighting practice. The process for identifying and prioritizing lighting content is described, a process that could be adapted by other lighting educators to other pedagogical contexts. The syllabi and learning exercises are disseminated for reuse or adaptation, or for self-study by independent learners.

42 ENGINEERING↗

DOE OSTI2016

Stochastic Simulation Service: Bridging the Gap between the Computational Expert and the Biologist

We present StochSS: Stochastic Simulation as a Service, an integrated development environment for modeling and simulation of both deterministic and discrete stochastic biochemical systems in up to three dimensions. An easy to use graphical user interface enables researchers to quickly develop and simulate a biological model on a desktop or laptop, which can then be expanded to incorporate increasing levels of complexity. StochSS features state-of-the-art simulation engines. As the demand for computational power increases, StochSS can seamlessly scale computing resources in the cloud. In addition, StochSS can be deployed as a multi-user software environment where collaborators share computational resources and exchange models via a public model repository. We also demonstrate the capabilities and ease of use of StochSS with an example of model development and simulation at increasing levels of complexity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Ameliorating Global Challenges: Globalization, Geopolitics, Basic & Applied Research, and Research Security

We are confronted with a myriad of global challenges, from extreme weather events, occurring at higher frequencies than at any point in history, to pollution, food insecurity, clean water shortages, and fundamentally limited natural resources and materials. The largest number of people inhabit our planet today and enjoy the highest standard of living - though not equally distributed across the world - compared to any prior moment in history. To sustain this quality of life, we are largely reliant on fossil fuel sources, which are responsible for more greenhouse gas emissions by weight each day than the collective weight of all humans that inhabit the planet. Ameliorating these global challenges will require elements of solutions that include advances in basic and applied research, innovative global engineering, materials discovery, new technologies, manufacturing at scale, resilient and adaptable infrastructure, carbon-free energy sources and storage technologies, and new supply chain networks and markets. Success will require constructive collaborative efforts between researchers in countries located in every continent of this planet. For any of these goals to be realized in a timely fashion, geopolitical leaders must become better educated about this existential challenge and incentivized to act.

applied research↗

DOE OSTI2013

Technology Solutions for New Manufactured Homes: Idaho, Oregon, and Washington Manufactured Home Builders (Fact Sheet)

The Building America Partnership for Improved Residential Construction, the Bonneville Power Administration (BPA), and Northwest Energy Works (NEW), the current Northwest Energy Efficient Manufactured Housing Program (NEEM) administrator, have been collaborating to conduct research on new specifications that would improve on the energy requirements of a NEEM home. In its role as administrator, NEW administers the technical specs, performs research and engineering analysis, implements ongoing construction quality management procedures, and maintains a central database with home tracking. This project prototyped and assessed the performances of cost-effective high performance building assemblies and mechanical systems that are not commonly deployed in the manufacturing setting. The package of measures is able to reduce energy used for space conditioning, water heating and lighting by 50 percent over typical manufactured homes produced in the northwest.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2013

Northwest Energy Efficient Manufactured Housing Program: High Performance Manufactured Home Prototyping and Construction Development

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2013

Northwest Energy Efficient Manufactured Housing Program: High Performance Manufactured Home Prototyping and Construction Development

The Building America Partnership for Improved Residential Construction, the Bonneville Power Administration (BPA), and Northwest Energy Works (NEW), the current Northwest Energy Efficient Manufactured Housing Program (NEEM) administrator, have been collaborating to conduct research on new specifications that would improve on the energy requirements of a NEEM home. In its role as administrator, NEW administers the technical specs, performs research and engineering analysis, implements ongoing construction quality management procedures, and maintains a central database with home tracking. This project prototyped and assessed the performances of cost-effective high performance building assemblies and mechanical systems that are not commonly deployed in the manufacturing setting. The package of measures is able to reduce energy used for space conditioning, water heating and lighting by 50% over typical manufactured homes produced in the northwest.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Casing Annulus Monitoring of CO 2 Injection Using Wireless Autonomous Distributed Sensor Networks

Effective and secure carbon subsurface storage, involving the deep underground injection of CO 2 into geological formations where it is permanently trapped, is paramount to mitigating CO 2 emissions (Figure I). Ensuring the integrity of these storage sites and detecting potential leakage through the casing annulus necessitates robust monitoring. This work provides the first integrated demonstration of a wireless casing-annulus monitoring architecture that can operate in highly attenuating cement-brine environments relevant to CO 2 storage. This project focused on developing and validating a novel sensor system for integration with autonomous monitoring near the cement reservoir interface. The goal was a fully integrated Technology Readiness Level (TRL) 4/5 field validation of a distributed wireless intelligent sensor system providing real-time, direct subsurface formation measurements to enhance fluid movement monitoring in the cemented casing annulus. Achieving this objective required the development and integration of 1) wireless autonomous microsensor technology by California Institute of Technology (Caltech); 2) sensor packaging and emplacement technology by Research Triangle Institute (RTI); and 3) smart well completions using wireless active casing collars and NOV pipe by the Sandia National Lab (SNL). The collaboration with the Caltech team in this project aimed to develop millimeter-scale radio frequency identification (RFID) sensors capable of detecting CO 2 , pH, and/or methane levels. These sensors are engineered to be impervious to fluids, allowing them to be mixed with cement and installed within the casing annulus. They operate using RFID protocols at frequencies of 902–928 MHz for both power and communication. A Sandia National Laboratories’ team engaged their expertise in the development of a Smart Collar system designed for the wireless data collection from these RFID sensors embedded in the cement annulus and transmission of this information to the ground surface via IntelliPipe/IntelliServ NOV drill pipe. This is accomplished through inductive coupling at the collar, which facilitates data transfer through each segment of the pipe. Because the system cannot transmit a direct current signal to power the Smart Collar, both power and communication were implemented using alternating current and electromagnetic signals at varying frequencies. Furthermore, the developed microsensor technology had to be demonstrated and validated in comparison with reference transducer measurements in a field test site at The University of Texas at Austin (UT-Austin). Although the full sensor suite did not reach field-deployment readiness, the system-level integration achieved in this project establishes a validated pathway for future incorporation of advanced microsensors.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

The Astronomy Commons Platform: A Deployable Cloud-based Analysis Platform for Astronomy

Abstract We present a scalable, cloud-based science platform solution designed to enable next-to-the-data analyses of terabyte-scale astronomical tabular data sets. The presented platform is built on Amazon Web Services (over Kubernetes and S3 abstraction layers), utilizes Apache Spark and the Astronomy eXtensions for Spark for parallel data analysis and manipulation, and provides the familiar JupyterHub web-accessible front end for user access. We outline the architecture of the analysis platform, provide implementation details and rationale for (and against) technology choices, verify scalability through strong and weak scaling tests, and demonstrate usability through an example science analysis of data from the Zwicky Transient Facility’s 1Bn+ light-curve catalog. Furthermore, we show how this system enables an end user to iteratively build analyses (in Python) that transparently scale processing with no need for end-user interaction. The system is designed to be deployable by astronomers with moderate cloud engineering knowledge, or (ideally) IT groups. Over the past 3 yr, it has been utilized to build science platforms for the DiRAC Institute, the ZTF partnership, the LSST Solar System Science Collaboration, and the LSST Interdisciplinary Network for Collaboration and Computing, as well as for numerous short-term events (with over 100 simultaneous users). In a live demo instance, the deployment scripts, source code, and cost calculators are accessible. 4 4 http://hub.astronomycommons.org/

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1999

Pressure Effects on Combustion of Methanol and Methanol-Docecanol Droplets

The objective of this research is to improve understanding of the combustion of binary fuel mixtures in the vicinity of the critical point. Fiber-supported single droplets and two-droplet arrays of methanol and of mixtures of methanol and 1-dodecanol, initially 0.9 mm in diameter, were burned in room-temperature air at pressures from 0.1 MPa to 9.0 MPa in the NASA Lewis 2.2-second drop tower. The work is a continuation of a collaborative Japan-US research effort designed to increase knowledge of high-pressure combustion of fuel sprays, relevant to application in propulsive and power-production devices such as Diesel engines. Some previous publications from this cooperative program may be cited. All of the previous experiments concerned alkanes and alkane mixtures. The new research reported here addresses alcohols and alcohol mixtures, to ascertain the degree to which previous results for alkanes extend to alcohols. There have been many previous experimental studies of methanol droplet combustion and a few of alcohol mixtures, but not at the high pressures of interest here. There is some experimental information on methanol droplet combustion at elevated pressure but none on the alcohol mixtures extending to critical pressures, as in the present study.

Okai, K.↗

NASA NTRS2000

How the science and engineering of spaceflight contribute to understanding the plasticity of spinal cord injury

Space programs support experimental investigations related to the unique environment of space and to the technological developments from many disciplines of both science and engineering that contribute to space studies. Furthermore, interactions between scientists, engineers and administrators, that are necessary for the success of any science mission in space, promote interdiscipline communication, understanding and interests which extend well beyond a specific mission. NASA-catalyzed collaborations have benefited the spinal cord rehabilitation program at UCLA in fundamental science and in the application of expertise and technologies originally developed for the space program. Examples of these benefits include: (1) better understanding of the role of load in maintaining healthy muscle and motor function, resulting in a spinal cord injury (SCI) rehabilitation program based on muscle/limb loading; (2) investigation of a potentially novel growth factor affected by spaceflight which may help regulate muscle mass; (3) development of implantable sensors, electronics and software to monitor and analyze long-term muscle activity in unrestrained subjects; (4) development of hardware to assist therapies applied to SCI patients; and (5) development of computer models to simulate stepping which will be used to investigate the effects of neurological deficits (muscle weakness or inappropriate activation) and to evaluate therapies to correct these deficiencies.

Review↗

NASA NTRS2004

Earth Science Education Plan: Inspire the Next Generation of Earth Explorers

The Education Enterprise Strategy, the expanding knowledge of how people learn, and the community-wide interest in revolutionizing Earth and space science education have guided us in developing this plan for Earth science education. This document builds on the success of the first plan for Earth science education published in 1996; it aligns with the new framework set forth in the NASA Education Enterprise Strategy; it recognizes the new educational opportunities resulting from research programs and flight missions; and it builds on the accomplishments th'at the Earth Science Enterprise has made over the last decade in studying Earth as a system. This document embodies comprehensive, practicable plans for inspiring our children; providing educators with the tools they need to teach science, technology, engineering, and mathematics (STEM); and improving our citizens' scientific literacy. This plan describes an approach to systematically sharing knowledge; developing the most effective mechanisms to achieve tangible, lasting results; and working collaboratively to catalyze action at a scale great enough to ensure impact nationally and internationally. This document will evolve and be periodically reviewed in partnership with the Earth science education community.

Source record↗

NASA NTRSDate not supplied

Building Capacity for Policy-makers in a Virtual Setting: Providing Tools to Analyze Wildfire Smoke Plumes and Their Impacts

The NASA DEVELOP Program conducted 10-week long feasibility projects in a remote work setting, including partnering with The Nature Conservancy’s Washington Chapter and the Puget Sound Clean Air Agency to investigate wildfire smoke from 2000 - 2020 in the Pacific Northwest using satellite-derived data. The team engaged with platforms for collaboration both internally with NASA affiliates and externally with community organizations. Working from multiple states, the team members used a variety of software including Google Meet, Microsoft Teams, and Google Earth Engine to foster communication and work with data in a shared virtual environment. Throughout the project, the team learned that executing the project in a distanced work setting made it easier to reach out to scientists across the country for expertise and guidance. To study changes in air quality resulting from wildfire smoke, the team utilized data from NASA’s Fire Information from Resource Management System (FIRMS) and the ESA’s Sentinel-5 TROPOspheric Monitoring Instrument (TROPOMI). The team created a Google Earth Engine web-based tool, “Plume Hazards and Observations of Emissions by Navigating an Interactive eXplorer” (PHOENIX), to visualize changes in pollutants and aerosol optical depth after fire events. The potential relationship between plume height and fire radiative power was evaluated by using NASA’s Moderate Resolution Imaging Spectroradiometer (MODIS) aboard Aqua and Terra satellites and NASA’s Multi-angle Imaging SpectroRadiometer (MISR) aboard Terra with the MISR INteractive eXplorer (MINX). The PHOENIX smoke assessment tool and science communication infographics will be shared electronically with the partner organizations. Furthermore, the team introduced the partners to MINX and will provide a tailored tutorial that included a recorded video and a written component with a live virtual workshop. These resources build capacity for further research and education on wildfire smoke and air quality within communities.

NASA DEVELOP↗