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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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NASA NTRS2017

Hydrazine Conservation for the Dawn Spacecraft Operations at the Dwarf Planet Ceres

Dawn is a low-thrust interplanetary spacecraft currently orbiting the dwarf planet Ceres. After successfully completing its Vesta and Ceres prime missions, Dawn is now in its extended mission, continuously exploring Ceres. After losing the second reaction wheel assembly at the end of the Vesta mission, the feasibility of the Ceres mission was at risk due to the potentially significant increase in hydrazine consumption from using only the reaction control system thrusters. This paper summarizes the intense, collaborative efforts undertaken by the project to conserve hydrazine prior to Vesta departure, during cruise to Ceres, and throughout the Ceres mission. The project’s efforts in minimizing the number of turns are discussed. A special emphasis is given to describing various efforts taken by the Attitude Control Subsystem team in an attempt to reduce hydrazine consumption. These efforts include: changing default slew rates, control gain tuning, changing nadir pointing strategy with Ahead Cross Nadir pointing, hybrid control implementation using hydrazine based thrusters and two remaining reaction wheels, optimal science turn location analysis, and reaction wheel angular momentum management strategies for reducing the number of momentum unloadings. In addition to the Attitude Control Subsystem team’s efforts, the Mission Design and Navigation team’s efforts taken in designing hydrazine friendly orbit transfers are discussed. The trade study performed collaboratively by the Attitude Control Subsystem team and the Science Operations Support Team in choosing hydrazine friendly off-nadir targets is also discussed. Various simulation results are presented and compared against actual flight data obtained. Lastly, remaining hydrazine status at the end of the prime Ceres mission and the hydrazine management planning for the extended mission are discussed.

Salami, Mana↗

DOE OSTI2019

BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages

Accelerating the design and development of new advanced materials is one of the priorities in modern materials science. These efforts are critically dependent on the development of comprehensive materials cyber-infrastructures which enable effcient data storage, management, sharing, and collaboration as well as integration of computational tools that help establish processing{structure{property relationships. In this contribution, we present implementation of such computational tools into a cloud-based platform called BisQue (Kvilekval et al., 2010). We first describe the current state of BisQue as an open-source platform for multidisciplinary research in the cloud and its potential for 3D materials science. We then demonstrate how new computational tools, primarily aimed at processing{structure{property relationships, can be implemented into the system. Speci cally, in this work, we develop a module for BisQue that enables microstructure-sensitive predictions of effective yield strength of two-phase materials. Towards this end, we present an implementation of a computationally effcient data-driven model into the BisQue platform. The new module is made available online and can be used from a web browser without any special software and with minimal computational requirements on the user end. The capabilities of the module for rapid property screening are demonstrated in case studies with two different methodologies based on datasets containing 3D microstructure information from (i) synthetic generation and (ii) sampling large 3D volumes obtained in experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2023

People are like plutonium

An analogy is drawn between the study of human behavior and the study of plutonium to demonstrate that soft and hard sciences are more similar than different, making the distinction moot and unproductive. The studies of human behavior and plutonium follow a common scientific research cycle that aligns with Thomas Kuhn’s views of scientific change. This common research cycle provides evidence that the thought processes and methodologies required for success are congruent in the soft and hard sciences. The primary implication from this analogy is that scientists in all disciplines should eradicate the distinction between soft and hard sciences. Focusing on similarities rather than differences among researchers from different disciplines is necessary to enhance collective intelligence and the type of transdisciplinary collaboration required to tackle difficult sociotechnical problems. CCS Concepts: • Social and professional topics • User characteristics • Cultural characteristics.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

NASA NTRS2016

NASA Virtual Institutes: International Bridges for Space Exploration

NASA created the first virtual institute, the NASA Astrobiology Institute (NAI), in 2009 with an aim toward bringing together geographically disparate and multidisciplinary teams toward the goal of answering broad questions in the then-new discipline of astrobiology. With the success of the virtual institute model, NASA then created the NASA Lunar Science Institute (NLSI) in 2008 to address questions of science and human exploration of the Moon, and then the NASA Aeronautics Research Institute (NARI) in 2012 which addresses key questions in the development of aeronautics technologies. With the broadening of NASA's human exploration targets to include Near Earth Asteroids and the moons of Mars as well as the Moon, the NLSI morphed into the Solar System Exploration Research Virtual Institute (SSERVI) in 2012. SSERVI funds domestic research teams to address broad questions at the intersection of science and human exploration, with the underlying principle that science enables human exploration, and human exploration enables science. Nine domestic teams were funded in 2014 for a five-year period to address a variety of different topics, and nine international partners (with more to come) also work with the U.S. teams on a variety of topics of mutual interest. The result is a robust and productive research infrastructure that is not only scientifically productive but can respond to strategic topics of domestic and international interest, and which develops a new generation of researchers. This is all accomplished with the aid of virtual collaboration technologies which enable scientific research at a distance. The virtual institute model is widely applicable to a range of space science and exploration problems.

SSERVI↗

DOE OSTI2021

Science Capsule: Towards Sharing and Reproducibility of Scientific Workflows

Workflows are increasingly processing large volumes of data from scientific instruments, experiments and sensors. These workflows often consist of complex data processing and analysis steps that might include a diverse ecosystem of tools and also often involve human-in-the-loop steps. Sharing and reproducing these workflows with collaborators and the larger community is critical but hard to do without the entire context of the workflow including user notes and execution environment. In this paper, we describe Science Capsule, which is a framework to capture, share, and reproduce scientific workflows. Science Capsule captures, manages and represents both computational and human elements of a workflow. It automatically captures and processes events associated with the execution and data life cycle of workflows, and lets users add other types and forms of scientific artifacts. Science Capsule also allows users to create `workflow snapshots' that keep track of the different versions of a workflow and their lineage, allowing scientists to incrementally share and extend workflows between users. Our results show that Science Capsule is capable of processing and organizing events in near real-time for high-throughput experimental and data analysis workflows without incurring any significant performance overheads.

Ghoshal, Devarshi↗

DOE OSTI2019

Additive Manufactured Materials Studies

The production of additively manufactured (AM) materials, is a growing technology that potentially offers more cost effective ways to produce metallic components for various uses. Mechanical properties of some AM metals have been studied, but more work is needed to better understand their dynamic properties as a function of orientation. Due to the melting and reheating of molten metal during fabrication, these materials tend to have internal porosity and slightly different microstructures along the weldments and normal to the weldments that may cause the materials to behave differently than their forged counterparts. The AM process builds up a part layer by layer, which provides opportunities to tailor geometry and optimize structural performance in addition to minimizing the amount of material waste for oddly shaped parts, thereby reducing cost. These advanced materials hold great promise for revolutionizing design, fabrication, and assembly of engineered components and could be used for many NNSA-specific applications including armoring complex elements of nuclear weapons, and customized diagnostic components in subcritical experiments. We have conducted materials studies in collaboration with the University of Nevada, Las Vegas (UNLV) as well as Los Alamos National Laboratory (LANL) under our Site-Directed Research and Development program and the Nevada Science Initiative. We are currently placing emphasis on quantifying how dynamic properties are affected by directionality and porosity of the material. A study of dynamic failure events in forged, layered, and additive manufactured (AM) titanium alloy subject to hypervelocity impact was conducted in collaboration with UNLV. Experiments were conducted using a two stage light-gas gun, 0.22-caliber Lexan projectiles, and different types of titanium target plates. A four-channel Photonic Doppler Velocimetry (PDV) system was used to study the free surface velocities to provide an understanding of the different failure mechanisms in these materials. The experimental measurements were used to validate computational simulations, which describe the behavior of these materials under shock. It was determined that AM, forged titanium, and multi-layered stacks produce similar velocity profiles during the early stage of impact, with the AM targets exhibiting spall at lower velocities and the multi-layered stacks exhibiting vibrations between plates. Simulations of solid and layered forged materials provide a good match to experimental data.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Advanced Computing Annual Report 2024

In fiscal year (FY) 2024, the National Renewable Energy Laboratory (NREL) took a major leap forward with the completed full buildout of Kestrel, the Office of Energy Efficiency and Renewable Energy's newest high-performance computing (HPC) system. Kestrel is already supporting science across the portfolio, bringing roughly 44 petaflops of computing power, which is more than five times the capacity of our previous supercomputer, Eagle. By delivering greater GPU capacity, Kestrel enables faster progress in artificial intelligence (AI) and opens new avenues in energy research - from defining long-term planning scenarios to accommodate a growing power system to material discovery to improving energy efficiency in photovoltaics (PV). Across the portfolio, research is being accelerated by Kestrel's impressive power. During FY24, 427 projects and more than 700 researchers used NREL's HPC, supporting the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy across 13 funding areas. Through these collaborations, researchers produced more than 450 technical outputs, including 195 articles in peer-reviewed publications, pushing the boundaries of science and engineering. This year's report features new sections spotlighting the expanding roles of Artificial Intelligence and Accelerated Computing. We also introduce an early career section to celebrate the accomplishments of our up-and-coming researchers, whose pioneering work is shaping the future of energy. We hope you enjoy the new insights and discoveries highlighted in these pages.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A TOPAS model for lens-based proton radiography

Abstract Objective. Proton Radiography can be used in conjunction with proton therapy for patient positioning, real-time estimates of stopping power, and adaptive therapy in regions with motion. The modeling capability shown here can be used to evaluate lens-based radiography as an instantaneous proton-based radiographic technique. The utilization of user-friendly Monte Carlo program TOPAS enables collaborators and other users to easily conduct medical- and therapy- based simulations of the Los Alamos Neutron Science Center (LANSCE). The resulting transport model is an open-source Monte Carlo package for simulations of proton and heavy ion therapy treatments and concurrent particle imaging. Approach. The four-quadrupole, magnetic lens system of the 800-MeV proton beamline at LANSCE is modeled in TOPAS. Several imaging and contrast objects were modelled to assess transmission at energies from 230–930 MeV and different levels of particle collimation. At different proton energies, the strength of the magnetic field was scaled according to βγ, the inverse product of particle relativistic velocity and particle momentum. Main results. Materials with high atomic number, Z, (gold, gallium, bone-equivalent) generated more contrast than materials with low-Z (water, lung-equivalent, adipose-equivalent). A 5-mrad collimator was beneficial for tissue-to-contrast agent contrast, while a 10-mrad collimator was best to distinguish between different high-Z materials. Assessment with a step-wedge phantom showed water-equivalent path length did not scale directly according to predicted values but could be mapped more accurately with calibration. Poor image quality was observed at low energies (230 MeV), but improved as proton energy increased, with sub-mm resolution at 630 MeV. Significance. Proton radiography becomes viable for shallow bone structures at 330 MeV, and for deeper structures at 630 MeV. Visibility improves with use of high-Z contrast agents. This modality may be particularly viable at carbon therapy centers with accelerators capable of delivering high energy protons and could be performed with carbon therapy.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Ice Nucleating Particles, Aerosols and Clouds over the Higher Latitude Southern Ocean

Improved understanding of aerosol-cloud-precipitation interactions is a key goal of the DOE-ASR program. Ice Nucleating Particles (INPs) are rare aerosol particles that trigger ice formation in clouds. By doing so they may initiate precipitation in clouds, and this impacts cloud lifetime. Nowhere may the role of INPs be manifested so dramatically as in the Southern Ocean (SO). This vast region was the focus of the DOE-ARM MARCUS (Measurement of Aerosols, Radiation and CloUds over the Southern Oceans) and MICRE (Macquarie Island Cloud and Radiation Experiment) campaigns. In the SO, a deficit of INPs has been a leading hypothesis for why liquid clouds persist, which underlays the bias of global climate models in predicting excess shortwave radiation reaching the ocean surface between 55°S and Antarctica. In this study, we used the 6-month acquisition of INP data on four MARCUS cruises from Hobart, Tasmania, to Antarctica, and the single-location full annual INP cycle observed in MICRE, to gain a holistic, quantitative picture of the INP number concentrations as a function of temperature and their variability over SO latitudes from 43°S to Antarctica. Augmenting initial processing of filter collections of aerosol particles during MARCUS and MICRE, additional freezing studies following thermal treatment (to removes INPs associated with microbes) and peroxide treatment (to remove all organics), as well as ionic chemistry and total organic carbon analysis, were applied to samples to improve time and space resolution, and differentiate marine from terrestrial contributions. We also performed Next Generation Sequencing to determine that bacterial composition can tag periods of enhanced and degraded marine organic INPs and the relative lack of occurrence of land-sourced bio-particles. Through these and other analyses, INP data were categorized into representative source types (e.g., marine versus terrestrially-influenced). The products of our analyses are being used to parameterize ice formation for use in numerical modeling studies to determine if, and when, ocean-derived INPs control the microphysical composition and radiative balance of SO clouds in a manner not presently captured by global models. The specific objectives and approaches proposed were largely accomplished, including: 1) Additional and value-added chemical and biological analyses of archived samples of aerosols were completed to categorize and quantify INP types and concentrations over the SO. 2) Analyses were completed to place INP data in meteorological and aerosol context. 3) Sea spray aerosol INPs were demonstrated to dominate the SO region in all but episodic events. 4) New parameterizations for INP sources relevant to the SO were constructed. 5) Collaborative modeling studies demonstrating the crucial role of INPs in determining cloud radiative and precipitation properties were conducted with MARCUS and MICRE partners. Collaborative publication submissions in this regard ensued within the two year study. This work will advance the science of interactions of aerosols, clouds and precipitation, to improve their representation in regional and global climate models. Results have informed representation of primary ice crystal nucleation, give inference to the role of secondary processes, and improve investigations of aerosol influences on clouds via ice nucleation over SO high latitudes and similar vast ocean regions. Application will improve representation of such interactions for clouds in both regional and global climate models. The data base and analyses methods applied will continue to serve research studies in the future.

58 GEOSCIENCES↗

DOE OSTI2022

Post-Marcus Theory and Simulation of Interfacial Charge Transfer Dynamics in Organic Semiconducting Materials (Final Report)

The research program developed, validated and applies predictive computational protocols for calculating charge transfer (CT) rates in complex molecular systems, including molecular dyads and triads in liquid solution and solid-state organic semiconducting (OSC) materials. We have established a transformative computational scheme that goes beyond widely used simplifications, to achieve realistic descriptions of CT processes. The approach properly addresses the contribution of molecular environment at ambient conditions to CT processes. Our approach achieves unique insight on investigated CT processes in relevant experimental efforts. The collaborative team included three principal investigators (PIs), with complimentary expertise in classical molecular dynamics simulations and data science (Cheung), state-of-the-art electronic structure calculations (Dunietz), and cutting-edge theory and simulation techniques for modeling energy, charge and coherence transfer dynamics in molecular systems (Geva).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Bioinformatic teaching resources - for educators, by educators - using KBase, a free, user-friendly, open source platform

Over the past year, biology educators and staff at the Department of Energy Systems Biology Knowledgebase (KBase) initiated a collaborative effort to develop a curriculum for bioinformatics education. KBase is a free and easily accessible data science platform that integrates many bioinformatics resources into a graphical user interface built upon reproducible analysis notebooks. KBase held conversations with college and high school instructors to understand how KBase could potentially support their educational goals. These conversations morphed into a working group of biological and data science instructors that adapted the KBase platform to their curriculum needs, specifically around concepts in Genomics, Metagenomics, Pangenomics, and Phylogenetics. The KBase Educators Working Group developed modular, adaptable, and customizable instructional units. Each instructional module contains teaching resources, publicly available data, analysis tools, and markdown capability to tailor instructions and learning goals for each class. The online user interface enables students to conduct hands-on data science research and analyses without requiring programming skills or their own computational resources (these are provided by KBase). Alongside these resources, KBase continues to work with instructors, supporting the development of additional curriculum modules. For anyone new to the platform, KBase, and the growing KBase Educators Organization, provides a community network, accompanied by community-sourced guidelines, instructional templates, and peer support to use KBase within a classroom whether virtual or in-person.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2000

Materials Science Experiment Module Accommodation within the Materials Science Research Rack (MSRR-1) on the International Space Station (ISS)

The Materials Science Research Rack I (MSRR-1) of the Materials Science Research Facility (MSRF) is a modular facility designed to accommodate two Experiment Modules (EM) simultaneously on board the International Space Station (ISS). One of these EMs will be the NASA/ESA EM being, developed collaboratively by NASA and the European Space Agency. The other EM position will be occupied by various multi-user EMs that will be exchanged in-orbit to accommodate a variety of materials science investigations. This paper discusses the resources, services, and allocations available to the EMs and briefly describes performance capabilities of the EMs currently planned for flight.

Higgins, D. B.↗

NASA NTRS1994

Merging Intelligent Systems Technologies with CFD Analysis Strategies: Prototype Development at NASA Ames

A collaborative team of researchers from fields of Computational Fluid Dynamics (CFD), fluid physics, computer architectures, and computer science and knowledge engineering have begun work on a prototype system that addresses several of industry's concerns in using NASA-developed CFD codes as part of the design cycle. A major problem exists in the application of CFD technologies within the aeronautics design cycle due primarily to misunderstandings in the ranges of applicability of the various solver codes or turbulence models. Features that arise during the CFD solution process need to be discriminated and recognized as actual flow features with physical support in the geometry and flow conditions of the problem being solved, or as numerical or non-physical errors arising from mis-application of solver code and its parameters, gridding strategies, or discretization. interpolations. The fundamental concept is to develop an intelligent computational system that can accept the engineer's definition of the problem and construct an optimal CFD solution. To do this requires capturing both the knowledge of how to apply the various CFD tools and how to adapt the application of those tools to flow structures as they evolve during the flow simulation. Embedded within this adaptive system approach is the additional desire to automatically identify and quantify the quality of resolution of the pertinent flow structures, be they genuine or error-induced, and then to adjust the solution strategy accordingly. This paper discusses the status of that prototyping effort.

Thompson, David E.↗

NASA NTRS2001

Space Life Sciences Research and Education Program

Since 1969, the Universities Space Research Association (USRA), a private, nonprofit corporation, has worked closely with the National Aeronautics and Space Administration (NASA) to advance space science and technology and to promote education in those areas. USRA's Division of Space Life Sciences (DSLS) has been NASA's life sciences research partner for the past 18 years. For the last six years, our Cooperative Agreement NCC9-41 for the 'Space Life Sciences Research and Education Program' has stimulated and assisted life sciences research and education at NASA's Johnson Space Center (JSC) - both at the Center and in collaboration with outside academic institutions. To accomplish our objectives, the DSLS has facilitated extramural research, developed and managed educational programs, recruited and employed visiting and staff scientists, and managed scientific meetings.

Coats, Alfred C.↗

NASA NTRS2008

Land-use and Land-cover Change from 1974 to 2008 around Mobile Bay

This project is a Gulf of Mexico Application Pilot in which NASA Stennis Space Center (SSC) is working within a regional collaboration network of the Gulf of Mexico Alliance. NASA researchers, with support from the NASA SSC Applied Science Program Steering Committee, employed multi-temporal Landsat data to assess land-use and land-cover (LULC) changes in the coastal counties of Mobile and Baldwin, AL, between 1974 and 2008. A multi-decadal time-series, coastal LULC product unique to NASA SSC was produced. The geographic extent and nature of change was quantified for the open water, barren, upland herbaceous, non-woody wetland, upland forest, woody wetland, and urban landscapes. The National Oceanic and Atmospheric Administration (NOAA) National Coastal Development Data Center (NCDDC) will assist with the transition of the final product to the operational end user, which primarily is the Mobile Bay National Estuary Program (MBNEP). We found substantial LULC change over the 34-year study period, much more than is evident when the change occurring in the last years. Between 1974 and 2008, the upland forest landscape lost almost 6% of the total acreage, while urban land cover increased by slightly more than 3%. With exception to open water, upland forest is the dominant landscape, accounting for about 25-30% of the total area.

Ellis, Jean↗

NASA NTRS2010

Materials Development: Pitfalls, Successes, and Lessons

The incorporation of new or improved materials in aerospace systems, or indeed any systems, can yield tremendous payoffs in the system performance or cost, and in many cases can be enabling for a mission or concept. However, the availability of new materials requires advance development, and too often this is neglected or postponed, leaving a project or mission with little choice. In too many cases, the immediate reaction is to use what was used before; this usually turns out not to be possible and results in large sums of money, and amounts of time, being expended on reinvention rather than development of a material with extended capabilities. Material innovation and development is time consuming, with some common wisdom claiming that the timeline is at least 20 years. This time expands considerably when development is stopped and restarted, or knowledge is lost. Down selection of materials is necessary, especially as the Technical Readiness Level (TRL) increases. However, the costs must be considered and approaches should be taken to retain knowledge and allow for restarting the development process. Regardless of the exact time required, it is clear that it is necessary to have materials, at all stages of development, in a research and development pipeline and available for maturation as required. This talk will discuss some of theses issues, including some of the elements for a development path for materials. Some history of materials developments will be included. The usefulness of computational materials science, as a route to decreasing material development time, will be an important element of this discussion. Collaboration with outside institutions and nations is also critical for innovation, but raises the issues of intellectual property and protections, and national security (ITAR rules, for example).

Johnson, Sylvia M.↗

NASA NTRS2012

Wide Field Infrared Survey Telescope [WFIRST]: Telescope Design and Simulated Performance

The ASTRO2010 Decadal Survey proposed multiple missions with NIR focal planes and 3 mirror wide field telescopes in the 1.5m aperture range. None of them would have won as standalone missions WFIRST is a combination of these missions, created by Astro 2010 committee. WFIRST Science Definition Team (SDT) tasked to examine the design. Project team is a GSFC-JPL-Caltech collaboration. This interim mission design is a result of combined work by the project team with the SDT.

infrared telescopes↗

NASA NTRS2015

High Data Rates for AubieSat-2 A & B, Two CubeSats Performing High Energy Science in the Upper Atmosphere

This paper will discuss a proposed CubeSat size (3 Units / 6 Units) telemetry system concept being developed at Marshall Space Flight Center (MSFC) in cooperation with Auburn University. The telemetry system incorporates efficient, high-bandwidth communications by developing flight-ready, low-cost, PROTOFLIGHT software defined radio (SDR) payload for use on CubeSats. The current telemetry system is slightly larger in dimension of footprint than required to fit within a 0.75 Unit CubeSat volume. Extensible and modular communications for CubeSat technologies will provide high data rates for science experiments performed by two CubeSats flying in formation in Low Earth Orbit. The project is a collaboration between the University of Alabama in Huntsville and Auburn University to study high energy phenomena in the upper atmosphere. Higher bandwidth capacity will enable high-volume, low error-rate data transfer to and from the CubeSats, while also providing additional bandwidth and error correction margin to accommodate more complex encryption algorithms and higher user volume.

Sims, William H.↗