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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

2019 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is necessary to meet the continual challenging national workforce needs that arise as computational science and engineering problems continue to grow in scope and complexity. Computational science and engineering (CSE) is a multidisciplinary approach that uses scientific computing to solve practical problems methods and to supply technical tools across the scientific discovery spectrum. In particular, the DOE CSGF emphasizes high-performance computing (HPC) that enables CSE that advances science and engineering in directions important to the DOE and the economy in general. 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, such as biology and cosmology, have been transformed through the augmentation of scientific observation via HPC. At government laboratories and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, renewable energy, fusion-reactor design, additive manufacturing, nanomaterials for next-generation batteries and transistors, and turbine 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 — including continuing to rise to the challenge of pandemic-related research. 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.” An explosion in scientific and technological data has driven the need for increasingly sophisticated HPC to transform those data into scientific understanding. With access to more and more data and the proliferation of HPC, Machine Learning and Artificial Intelligence are experiencing a renaissance, complementing the now well-established use of computational simulation. Indeed, in its September 2020 subcommittee report on “AI/ML, Data Intensive Science and High-Performance Computing”, the DOE Advanced Scientific Computing Advisory Committee (ASCAC) explicitly called for a fellowship program to train computational and data scientists to tackle exascale and data-intensive computing challenges. This collaboration of empirical and theory-based modeling will increasingly inform federal policymakers whose decisions affect American society and future generations, and it requires highly skilled and intellectually agile computational scientists who can support the fast-moving DOE National Laboratory research environment. In fact, the DOE CSGF program has explicitly and consistently addressed this need.

97 MATHEMATICS AND COMPUTING↗

The Legacy of Science

The mechanisms of techno-scientific and philosophical change are examined and related to the nature and transformation of society and mankind himself. In parallel with the notion that the fundamental mechanism of change is the free juxtaposition of disparate phenomena, it is suggested that, with the tools that modern technology provides, we may be moving toward a no-paradigm culture.

Burke, J.↗

NASA Workshop on Technology for Human Robotic Exploration and Development of Space

Continued constrained budgets and growing interests in the industrialization and development of space requires NASA to seize every opportunity for assuring the maximum return on space infrastructure investments. This workshop provided an excellent forum for reviewing, evaluating, and updating pertinent strategic planning, identifying advanced concepts and high-risk/high-leverage research and technology requirements, developing strategies and roadmaps, and establishing approaches, methodologies, modeling, and tools for facilitating the commercial development of space and supporting diverse exploration and scientific missions. Also, the workshop addressed important topic areas including revolutionary space systems requiring investments in innovative advanced technologies; achieving transformational space operations through the insertion of new technologies; revolutionary science in space through advanced systems and new technologies enabling experiments to go anytime to any location; and, innovative and ambitious concepts and approaches essential for promoting advancements in space transportation. Details concerning the workshop process, structure, and results are contained in the ensuing report.

Mankins, J. C.↗

A Software Architecture for Intelligent Synthesis Environments

The NASA's Intelligent Synthesis Environment (ISE) program is a grand attempt to develop a system to transform the way complex artifacts are engineered. This paper discusses a "middleware" architecture for enabling the development of ISE. Desirable elements of such an Intelligent Synthesis Architecture (ISA) include remote invocation; plug-and-play applications; scripting of applications; management of design artifacts, tools, and artifact and tool attributes; common system services; system management; and systematic enforcement of policies. This paper argues that the ISA extend conventional distributed object technology (DOT) such as CORBA and Product Data Managers with flexible repositories of product and tool annotations and "plug-and-play" mechanisms for inserting "ility" or orthogonal concerns into the system. I describe the Object Infrastructure Framework, an Aspect Oriented Programming (AOP) environment for developing distributed systems that provides utility insertion and enables consistent annotation maintenance. This technology can be used to enforce policies such as maintaining the annotations of artifacts, particularly the provenance and access control rules of artifacts-, performing automatic datatype transformations between representations; supplying alternative servers of the same service; reporting on the status of jobs and the system; conveying privileges throughout an application; supporting long-lived transactions; maintaining version consistency; and providing software redundancy and mobility.

Filman, Robert E.↗

Dual use of image based tracking techniques: Laser eye surgery and low vision prosthesis

With a concentration on Fourier optics pattern recognition, we have developed several methods of tracking objects in dynamic imagery to automate certain space applications such as orbital rendezvous and spacecraft capture, or planetary landing. We are developing two of these techniques for Earth applications in real-time medical image processing. The first is warping of a video image, developed to evoke shift invariance to scale and rotation in correlation pattern recognition. The technology is being applied to compensation for certain field defects in low vision humans. The second is using the optical joint Fourier transform to track the translation of unmodeled scenes. Developed as an image fixation tool to assist in calculating shape from motion, it is being applied to tracking motions of the eyeball quickly enough to keep a laser photocoagulation spot fixed on the retina, thus avoiding collateral damage.

Juday, Richard D.↗

Dual Use of Image Based Tracking Techniques: Laser Eye Surgery and Low Vision Prosthesis

With a concentration on Fourier optics pattern recognition, we have developed several methods of tracking objects in dynamic imagery to automate certain space applications such as orbital rendezvous and spacecraft capture, or planetary landing. We are developing two of these techniques for Earth applications in real-time medical image processing. The first is warping of a video image, developed to evoke shift invariance to scale and rotation in correlation pattern recognition. The technology is being applied to compensation for certain field defects in low vision humans. The second is using the optical joint Fourier transform to track the translation of unmodeled scenes. Developed as an image fixation tool to assist in calculating shape from motion, it is being applied to tracking motions of the eyeball quickly enough to keep a laser photocoagulation spot fixed on the retina, thus avoiding collateral damage.

Juday, Richard D.↗

Capabilities of the Materials Contamination Team at Marshall Space Flight Center

The Materials Contamination Team at the Marshall Space Flight Center (MSFC) has been recognized for its contributions supporting the National Aeronautics and Space Administration (NASA) spacecraft development programs. These programs include the Reusable Solid Rocket Motor (RSRM), Chandra X-Ray Observatory, and the International Space Station (ISS). The Environmental Effects Group, with the Materials Contamination Team and the Space Environmental Effects Team has been an integral part of NASA's success by the testing, evaluation, and qualification of materials, hardware, and processes. This paper focuses on the capabilities of the Materials Contamination Team. The Materials Contamination Team's realm of responsibility includes establishing contamination control during all phases of hardware development, including design, manufacturing, assembly, test, transportation, launch site processing, on-orbit exposure, return, and refurbishment. The team continues its mission of reducing the risk of equipment failure due to molecular or particulate contamination. Contamination is a concern in the Space Shuttle with sensitive bond-lines and reactive fluid (liquid oxygen) compatibility as well as for spacecraft with sensitive optics, such as Hubble Space Telescope and Chandra X-ray Observatory. The Materials Contamination Team has a variety of facilities and instrumentation capable of contaminant detection, identification, and monitoring. The team addresses material applications dealing with environments, including production facilities, clean rooms, and on-orbit exposure. The optically stimulated electron emission (OSEE) system, the Ultraviolet (UV) fluorescence (UVF) surface contamination detection, and the Surface Optics Corporation 400 (SOC 400) portable hand-held Fourier Transform Infrared (FTIR) spectrometer are state-of-the-art tools for in-process molecular contamination detection. The team of engineers and technicians also develop contamination calibration standards and evaluate new surface cleanliness inspection technologies. The team utilizes facilities for on-orbit simulation testing of materials for outgassing and molecular film deposition characteristics in the presence of space environmental effects, such as Atomic Oxygen (AO) and UV radiation exposure. The Materials Contamination Team maintains databases for process materials as well as outgassing and optical compatibility test results for specific environments.

Burns, Howard↗

Use of New Communication Technologies to Change NASA Safety Culture: Incorporating the Use of Blogs as a Fundamental Communications Tool

The purpose of this paper is to explore an innovative approach to culture change at NASA that goes beyond reorganizations, management training, and a renewed emphasis on safety. Over the last five years, a technological social revolution has been emerging from the internet. Blogs (aka web logs) are transforming traditional communication and information sharing outlets away from established information sources such as the media. The Blogosphere has grown from zero blogs in 1999 to approximately 4.5 million as of November 2004 and is expected to double in 2005. Blogs have demonstrated incredible effectiveness and efficiency with regards to affecting major military and political events. Consequently, NASA should embrace the new information paradigm presented by blogging. NASA can derive exceptional benefits from the new technology as follows: 1) Personal blogs can overcome the silent safety culture by giving voice to concerns or questions that are not well understood or seemingly inconsequential to the NASA community at-large without the pressure of formally raising a potential false alarm. Since blogs can be open to Agency-wide participation, an incredible amount of resources from an extensive pool of experience can focus on a single issue, concern, or problem and quickly vetted, discussed and assessed for feasibility, significance, and criticality. The speed for which this could be obtained cannot be matched through any other process or procedure currently in use. 2) Through official NASA established blogs, lessons learned can be a real-time two way process that is formed and implemented from the ground level. Data mining of official NASA blogs and personal blogs of NASA personnel can identify hot button issues and concerns to senior management. 3) NASA blogs could function as a natural ombudsman for the NASA community. Through the recognition of issues being voiced by the community and taking a proactive stance on those issues, credibility within NASA Management can be restored. For NASA to harness the capabilities of blogs, NASA must develop an Agency-wide policy on blogging to encourage use and provide guidance. This policy should describe basic rules of conduct and content as well as a policy of non-retribution and/or anonymity. The Agency must provide sever space within their firewalls, provide appropriate software tools, and promote blogs in newsletters and official websites. By embracing the use of blogs, a potential pool of 19,000 experts could be available to address each posted safety issue, concern, problem, or question. Blogs could result in real NASA culture change.

Huls, Dale thomas↗

Shielded and Low-Damping SPM Probes For Quantitative Electrical and Electrochemical Characterization (Phase IIB)

The purpose of this DOE SBIR award was to develop new scanning probe microscopy tools for the elucidation of electrical and electrochemical properties at the nanoscale. High performance probes are important for energy materials research. In both solar cells and batteries, the essential physics and chemistry occur at the nanoscale and nanoscale characterization tools are required for their elucidation. The introduced new models are a shielded probe and an electrically insulated probe where only less than one micron of a conductive tip is exposed. In Phases I and IIa, we explored the development of cost-effective methods to insulate cantilevers from aqueous solutions and patented a technology that provides an insulated electrical contact to the tip. Also, our technology was adapted to be compatible with all popular commercial AFM systems. In Phase IIb, we improved reproducibility and batch size to drive down costs while maintaining quality control with testing. We transformed our product into a convenient turnkey solution to make electrochemical characterization approachable to a wide range of researchers. In January 2021, the technology was well received by the AFM community and Nanosurf Inc. (Woburn, MA) acquired Scuba Probe Technologies. The technology and expertise of Scuba Probe Technologies complements Nanosurf’s development of the full range of nano-electrical characterization tools.

36 MATERIALS SCIENCE↗

REopt Lite Web Tool: Capabilities and Features

REopt Lite transforms complex energy project decisions into actionable results for building owners, utilities, and industry. Based on decades of NREL decision-support expertise, the free, publicly available REopt Lite web tool guides investment in economic, resilient energy technologies. And open source and API access to the tool enables energy analysis at scale. This presentation provides an overview of how REopt Lite can help users optimize the economic and resilience benefits of distributed energy resources.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Pulse Detonation Engine for Advanced Oxy-Combustion of Coal-Based Fuel for Direct Power Extraction Applications

Pressure gain combustion and magnetohydrodynamic (MHD) systems have the potential to provide a step increase in the efficiency of combined-cycle power plants. Specific advantages include a net pressure increase to the system instead of a pressure drop, the high temperature of the detonation waves can increase the efficiency of power extraction compared to other processes, significant thermal energy can be released in a compact region, and the high velocities of the flow increase extraction of electrical power. In summary, a pressure gain combustor coupled with a MHD has the potential to be transformative. Despite the potential advantages, relatively little research has been conducted considering coupled pressure gain combustion systems with MHD systems. With this background and motivation, the overall goal of this effort was to advance the knowledge, technology, and computational tools associated with coupled detonation and MHD systems. A joint experimental and computational approach was used while seeking to accomplish the goals of this work. Specifically, two pulse detonation engines were developed and used for the experiments to produce detonations. Detonation speeds were measured for a variety of flow and fuel conditions (e.g., methane, propane, with coal particles). Preliminary electrical conductivity measurements were collected. An extensive amount of research was performed to identify sensitivities of detonation behaviors to the presence of combustion products. Computationally, a twofold approach was used in this work. First, a solver was developed for solving the governing equations for a reactive flow with coupled detonation and ionization chemistry. The solver was applied to study the impacts of seed material ionization on detonation. Second, a conservation element-solution element (CE-SE) based numerical solver for detonation studies with a reduced reaction mechanism for oxy-methane combustion was developed and verified on standard test cases. Key findings and contributions from this work are as follows. A system was developed for injecting powderized coal, or other seeding material, into a pulse-detonation system. The influence of a combustion product (i.e., CO 2 ) on detonation behavior was identified. Knowledge gained from this work is applicable to devices such as rotating detonation engines, where combustion products mix with fresh reactants. A system for measuring the electrical conductivity of the exhaust from a pulse-detonation engine was developed. The open-source solver, Clawpack, was extended to solve the reactive Euler equations for simulating detonations. A coupled combustion and ionization chemistry was developed in a single chemical kinetic model for methane oxidation. This model can be used to solve coupled MHD and detonation simulations. It was found that parasitic interactions from ionization chemistry with the magnetic field can reduce the detonation velocity by up to 8%, with a potential impact on power extraction of 15%. It is recommended that interactions between the detonation front and MHD field be considered. Higher gas temperatures and velocities were achieved owing to oxy-fuel detonations. Use of radical dissociation reactions in the reduced reaction mechanism, was found to be critical in predicting detonation temperature and velocity accurately.

01 COAL, LIGNITE, AND PEAT↗

Multiscale Porous High-temperature Heat Exchanger Using Ceramic Co-extrusion

In this project, our MIT, Purdue, and GE team aims to design, model, fabricate, and test a novel high temperature, compact, and durable ceramic heat exchanger to be operated under high temperature and pressure conditions for aerospace applications. Our approach is grounded in introducing multiscale porosity, i.e., centimeter-scale channels embedded with micrometer-scale channels, into the ceramic heat exchanger to significantly improve its heat transfer performance and mechanical strength while maintaining minimal pressure losses. We first developed high-fidelity thermal-fluid-mechanical model capable of precisely capturing the heat transfer rate, temperature profile, pressure drop, and mechanical stress throughout the entire heat exchanger design. Guided by our model, we identified the optimal design parameters for the SiC heat exchanger body and manifolds. Then, we established a completed fabrication procedure to create multiscale features in the ceramic heat exchanger, including co-extrusion, lamination, burnout, and sintering. We fabricated multiple heat exchanger bodies consisting of 6 × 6 and 3 × 3 centimeter-scale channels where each individual centimeter-scale channel comprises 625 crack-free microchannels with 90 μm × 90 μm opening. Owing to the multiscale features, our fabricated heat exchanger bodies exhibited desirable mechanical strength with 156 MPa flexural strength under 1300 Celsius degree. Despite the demonstrated highly tailorable microscopic features and superior mechanical strength, we identified delamination due to the complex interaction among ceramic, polymer, and gas species can be a critical challenge to create fully defect-free heat exchanger, which requires further fundamental investigations in future works. To test the heat exchanger performance, we constructed a high-temperature and high-pressure experimental apparatus that can be safely operated under 400 Celsius degree and 4 bar. With insights gained from mechanistic modeling, material development, and detailed characterization, a cost model was finally developed to understand the market potential of the developed technology, where a cost of $43,000 Celsius degree/kW was envisioned. This project developed a transformative approach to high-performance heat exchanger design. The thermal-fluid-mechanical design approach developed in this project can serve as a generic tool to guide the design of various heat-exchangers operated under high-temperature and high-pressure conditions. The material fabrication approach established in this project can be a useful guide for ceramic processing at extreme length scales.

42 ENGINEERING↗

An Upgrade of the Aeroheating Software "MINIVER"

Many software packages assist engineers with performing flight vehicle analysis, but some of these packages have gone many years without updates or significant improvements to their workflows. One such software, known as MINIVER, is a powerful yet lightweight tool that is used for aeroheating analyses. However, it is an aging program that has not seen major improvements within the past decade. As part of a collaborative effort with Florida Institute of Technology, MINIVER has received a major user interface overhaul, a change in program language, and will be continually receiving updates to improve its capabilities. The user interface update includes a migration from a command-line interface to that of a graphical user interface supported in the Windows operating system. The organizational structure of the preprocessor has been transformed to clearly defined categories to provide ease of data entry. Helpful tools have been incorporated, including the ability to copy sections of cases as well as a generalized importer which aids in bulk data entry. A visual trajectory editor has been included, as well as a CAD Editor which allows the user to input simplified geometries in order to generate MINIVER cases in bulk. To demonstrate its continued effectiveness, a case involving the JAXA OREX flight vehicle will be included, providing comparisons to captured flight data as well as other computational solutions. The most recent upgrade effort incorporated the use of the CAD Editor, and current efforts are investigating methods to link MINIVER projects with SINDA/Fluint and Thermal Desktop.

Louderback, Pierce M.↗

A Upgrade of the Aeroheating Software "MINIVER"

Many software packages assist engineers with performing flight vehicle analysis, but some of these packages have gone many years without updates or significant improvements to their workflows. One such software package, known as MINIVER, is a powerful yet lightweight tool used for aeroheating analyses. However, it is an aging program that has not seen major improvements within the past decade. As part of a collaborative effort with the Florida Institute of Technology, MINIVER has received a major user interface overhaul, a change in program language, and will be continually receiving updates to improve its capabilities. The user interface update includes a migration from a command-line interface to that of a graphical user interface supported in the Windows operating system. The organizational structure of the pre-processor has been transformed to clearly defined categories to provide ease of data entry. Helpful tools have been incorporated, including the ability to copy sections of cases as well as a generalized importer which aids in bulk data entry. A visual trajectory editor has been included, as well as a CAD Editor which allows the user to input simplified geometries in order to generate MINIVER cases in bulk. To demonstrate its continued effectiveness, a case involving the JAXA OREX flight vehicle will be included, providing comparisons to captured flight data as well as other computational solutions. The most recent upgrade effort incorporated the use of the CAD Editor, and current efforts are investigating methods to link MINIVER projects with SINDA/Fluint and Thermal Desktop.

Louderback, Pierce↗

A Study of Linear Approximation Techniques for SAR Azimuth Processing

The application of the step transform subarray processing techniques to synthetic aperture radar (SAR) was studied. The subarray technique permits the application of efficient digital transform computational techniques such as the fast Fourier transform to be applied while offering an effective tool for range migration compensation. Range migration compensation is applied at the subarray level, and with the subarray size based on worst case range migration conditions, a minimum control system is achieved. A baseline processor was designed for a four-look SAR system covering approximately 4096 by 4096 SAR sample field every 2.5 seconds. Implementation of the baseline system was projected using advanced low power technologies. A 20 swath is implemented with approximately 1000 circuits having a power dissipation of from 70 to 195 watts. The baseline batch step transform processor is compared to a continuous strip processor, and variations of the baseline are developed for a wide range of SAR parameters.

Martinson, L. W.↗

Power Sector Transformation Pathways: Exploring Objectives, Factors, and Technology Innovations to Inform Power Sector Pathway Decisions

The power and heating sectors are responsible for around 30% of global CO2 emissions and this share is likely to grow as countries move towards electrification of the transportation and building sectors. Therefore, enabling forward-thinking, long term strategies in the power sector is a crucial area for international collaboration and support. The rapid transition of power systems toward modern, low-carbon pathways and technologies will be necessary to meet key climate goals while also enabling other critical objectives such as economic development, energy access, and energy system resiliency, among others. Many developed and developing countries are well-poised to champion power sector transformation (PST), however, further support is needed to identify pathways and implement critical near and long-term actions. To address this need, the Low Emission Development Strategies Global Partnership (LEDS GP) together with an expert team including Agora Energiewende, Energy Innovation, European Climate Foundation, Fraunhofer Institute for Systems and Innovation Research , Prayas Energy Group and LEDS Latin America and Caribbean Platform, developed a framework identifying four key pathways that can be integrated and combined to support low-carbon PST. These four pathways are: (1) Distributed Energy Resource Revolution, (2) Bulk Power Transformation, (3) Transmission and Distribution Interactivity, and (4) Distributed Transactional Future. To support exploration of pathways, this study examines PST objectives and factors that may lead countries or jurisdictions to place a greater relative emphasis on certain pathways as well as a framework and complementary tool for considering the emphasis in a hands on manner. The report provides case studies on application of the approach to bring life to the topic. The case studies include Haiti, Kenya, Mexico, Southeast Asia, and the European Union, among others. The report also presents actions to-be-taken in the near-, medium- and long-term to support the realization of pathways and long-term transformation of the power sector. The report, together with a complementary spreadsheet tool developed under the effort, can be used to enable stakeholder engagement and visioning for the power sector over the long-term, taking into account key factors and potential innovations. It can also be used to understand and inform relevant analysis tools and models based on which pathways are emphasized, and to identify key actions in the near- and medium-term to avoid lock-in of carbon-intensive technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NWChem: Past, present, and future

Specialized computational chemistry packages have permanently reshaped the landscape of chemical sciences by providing tools to support and guide the experimental effort and for prediction of chemical and materials properties. In this regard, a special role has been played by electronic structure packages where complex chemical and materials processes can be modeled using first-principle-driven methodologies. Over the last few decades, the rapid development of computing technologies and a tremendous increase in computational power has offered a unique chance to study complex chemical transformations using sophisticated and predictive many-body techniques to describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, a critical role has been played by novel parallel algorithms capable of taking advantage of computational resources to address polynomial scaling of electronic structure methods. NWChem was among the first electronic structure codes that focused on delivering scalable performance for electronic structure simulations. Herein, we briefly review the NWChem suite of computational codes including its history, design principles, parallel tools, current capabilities, outreach and outlook.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗