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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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DOE OSTI2024

Size and Structure Effects of Carbon-Supported Ruthenium Nanoparticles on Waste Polypropylene Hydrogenolysis Activity, Selectivity, and Product Microstructure

Hydrogenolysis of plastic waste using Ru-based catalysts is promising for deconstructing polyolefins into lower molecular weight products. Yet, the effect of catalyst atomic structure and size on activity and product selectivity is poorly understood. Herein, we expose the effect of metal particle size and atomic structure on isotactic-polypropylene (i-PP) hydrogenolysis over Ru supported on carbon. Despite similar molecular weight distributions of solid and liquid products, their physical properties are distinct due to different chain regio-irregular CH3 sequences of steric pentads containing racemo configurations. We propose that i-PP hydrogenolysis entails an interplay of C–C bond scission and stereoisomerization. The active site’s local electronic environment and structure dictate the former, whereas polymer–catalyst surface interactions creating suitable polymer conformations control the latter. C–C scission and stereoisomerization are structure-sensitive. Small, disordered nanoclusters are effective in C–C bond scission, whereas larger metal nanoparticles promote stereoisomerization. Finally, we hypothesize that a heterogeneous distribution of metal active sites is essential for deconstruction and product (lubricant base oil) quality control.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Consumables data base workbook: Formulation of consumables management models

Activity consumables data specifications and data applications are presented. The data are structured in a series of "Consumable Data Worksheets" for each activity that includes a profile of its operations and the rate of each consumable required to support the given activity. The data worksheets provide for the uniform specification of consumables data, allows for the ready identification of the consumables affected by a given activity, and facilitates the updating process. An activity is defined and the data that must be included in the data worksheets are specified. An example of its use and application is given, i.e. consumables data requirements for the performance of the EVA. The consumables data for the activities currently identified for the shuttle spacecraft are included. The consumables data sources are identified and information to facilitate the maintenance process is detailed.

Zamora, M. A.↗

NASA NTRS2001

Ultraviolet-Optical Space Astronomy Beyond HST Conference (Origins Conference and UV-Optical Working Group Support)

This grant supported three major activities, from 1997-2001. (1) Origins Conference. The funds from this grant were used, initially, to support a Conference on "Origins", held May 19-23, 1997 at Estes Park, CO and attended by a wide range of astronomers, planetary scientists, and astrobiologists. The scientific proceedings of this meeting were published in 1998 by the Astronomical Society of the Pacific: "Origins" (1998) "Proceedings of the International Origins Conference". (2) UV-Optical Space Astronomy. Conference Additional funds provided by the NASA Office of Space Science were used to support a meeting held August 5-7, 1998 at Boulder, CO and attended by ultraviolet and optical astronomers and instrumentalists interested in a UV-O successor to the Hubble Space Telescope. The scientific proceedings of this meeting were published in 1999: "Ultraviolet-Optical Space Astronomy Beyond the Hubble Space Telescope" (1999), NASA provided funds and commissioned the UVOWG (Ultraviolet-Optical Working Group), charged with recommending a set of fundamental scientific problems and new space missions in the UV/Optical wavelength bands. The working group was chaired by J. M. Shull, and included ten other astrophysicists. Their report was published as a "White Paper" (Nov. 1999) entitled "The Emergence of the Modern Universe: Tracing the Cosmic Web" available. The results of this report were used in the NASA Strategic Planning ("Roadmap") exercise and by the NRC Astronomy/Astrophysics Decade Committee.

Shull, J. Michael↗

DOE OSTI2021

Structure-Activity Relationships of Hydrothermally Aged Titania-Supported Vanadium-Tungsten Oxide Catalysts for SCR of NOx Emissions with NH3

Supported V2O5-WO3/TiO2 materials employed as selective catalytic reduction (SCR) catalysts for NOx emission control from power plants. Fresh SCR catalysts usually receive exposure to harsh treatments in industry to accelerate catalyst activation (calcination in air at 650oC) and catalyst aging (hydrothermal aging at 650oC) in a way that represents various points in the catalyst/product lifetime. The present study investigates the catalyst structural and chemical changes occurring during such harsh treatments. Three series of supported V2O5-WO3/TiO2 catalysts were prepared by incipient-wetness impregnation of aqueous ammonium metavanadate and metatungstate precursors. The catalysts were subsequently dried and calcined at 550oC in O2, 650oC in O2, and hydrothermal conditions (10% O2, 8% H2O, 7% CO2 and 75% N2) at 650oC. The resulting catalysts were physically characterized by numerous techniques (in situ Raman, in situ IR, in situ High Field-High Spinning solid-state 51V MAS NMR, in situ EPR, XRD, BET surface area and ICP) and chemically probed with adsorbed ammonia, SCR-TPSR, and the SCR reaction. The surface WOx sites on the TiO2 support behave as a textural promoter that stabilizes the TiO2 (anatase) phase from sintering and transforming to the undesirable crystalline TiO2 (rutile) phase that can lead to formation of a Ti1-xVxO2 (rutile) solid solution with reduced V4+ cations (~7-15%). The surface VOx sites are mostly oligomerized as surface V+5Ox sites (~50-85% oligomers) and the extent of oligomerization tends to increase with surface WOx coverage and calcination temperature. A major difference between the calcined and hydrothermally treated catalysts was the low concentration of surface NH3* species on Lewis acid sites for the hydrothermally treated catalysts, yet the SCR activity was almost comparable for both catalysts. This finding suggests that surface NH4+*, primarily associated with the surface VOx sites, are able to efficiently perform the SCR reaction. Given that multiple catalyst parameters were simultaneously varying during these treatments, it was difficult to correlate the SCR activity with any single catalyst parameter. A correlation, however, was found between the SCR TOF/activity and the sum of the surface NH3* and NH4+* species, which is dominated by the surface NH4+* species.

SCR, NO, NH3, catalyst, V2O5, WO3, TiO2, promotion↗

NASA NTRS2005

IHY Modeling Support at the Community Coordinated Modeling Center

The Community Coordinated Modeling Center (CCMC) is a US inter-agency activity aiming at research in support of the generation of advanced space weather models. As one of its main functions, the CCMC provides to researchers the use of space science models, even if they are not model owners themselves. In particular, the CCMC provides to the research community the execution of "runs-onrequest" for specific events of interest to space science researchers. Through this activity and the concurrent development of advanced visualization tools, CCMC provides, to the general science community, unprecedented access to a large number of state-of-the-art research models. CCMC houses models that cover the entire domain from the Sun to the Earth. In this presentation, we will provide an overview of CCMC modeling services that are available to support activities during the International Heliospheric Year. In order to tailor CCMC activities to IHY needs, we will also invite community input into our IHY planning activities.

Chulaki, A.↗

NASA NTRS1976

The deep space network

Deep space network supporting research and technology activities centered on spacecraft communications and ground support systems in multiple mission flight projects are presented.

Source record↗

NASA NTRS1997

High Energy Astrophysics Research and Programmatic Support

This report reviews activities performed by members of the USRA contract team during the six months of the reporting period and projected activities during the coming six months. Activities take place at the Goddard Space Flight Center, within the Laboratory for High Energy Astrophysics. Developments concern instrumentation, observation, data analysis, and theoretical work in Astrophysics. Missions supported include: Advanced Satellite for Cosmology and Astrophysics (ASCA), X-ray Timing Experiment (XTE), X-ray Spectrometer (XRS), Astro-E, High Energy Astrophysics Science Archive Research Center (HEASARC), and others.

Angelini, L.↗

NASA NTRS1998

High Energy Astrophysics Research and Programmatic Support

Angelini, Lorella↗

NASA NTRS2008

Modeling and Simulation at Tidewater Community College

Investment of $1.5 million in medical simulation technology. Integration of medical simulation activities into the curriculum. Support from TCC leadership. Individual and team activities. Skill development and critical thinking/problem solving skills.

Summers, Michael↗

NASA NTRSDate not supplied

A Preliminary Assessment of Physical Demand During Simulated Lunar Surface Extravehicular Activities

Future Artemis missions will require more advanced spacesuits to support exploration and science activities on the Lunar surface. Preparing for these missions requires an understanding of the physical and cognitive demand of performing common surface extravehicular activity (EVA) tasks in a suited partial-gravity environment. This study aims to characterize physical demand during exploration EVA tasks in the Artificial Gravity Offload System (ARGOS) as a function of the task and operational environment itself. Two subjects completed two days of EVA simulations at ARGOS in the Mark III spacesuit offloaded to Lunar gravity (1/6G). Metabolic rate (MR) and heart rate (HR) were continuously recorded while subjects completed an end-to-end EVA as well as standalone tasks. Understanding the physical demand to complete exploration EVA tasks will be instrumental to the future success of exploration spacesuit designs and missions. Further work in this study will be needed to characterize MR during exploration EVA tasks, including expanding the subject pool and testing new suit designs.

Taylor E Schlotman↗

DOE OSTI2025

Active Site Dynamics in Molybdenum-Based Silica-Supported Olefin Metathesis Catalysts: Site Renewal and Decay Beyond the Chauvin Cycle

Heterogeneous olefin metathesis catalysts exhibit low active site densities and unpredictable kinetics due to dynamic active site formation and decay processes. Here, in this study, we establish a quantitative framework that captures active site generation, renewal, and decay in olefin metathesis over silica-supported molybdenum oxide catalysts, enabling a mechanistic explanation of catalytic behavior and strategies to achieve high, stable activity. Steady-state active site titrations reveal that 2,3-dimethyl-butene isomers (4MEs) cofeeding increases active site density by up to 4.3-fold, directly correlating with enhanced metathesis rates. Spectroscopic studies demonstrate that 4MEs facilitate Mo(VI) reduction to Mo(IV) and interact strongly with surface Si–OH groups, generating labile protons that promote active site formation via a 1,2-proton shift mechanism. Kinetic modeling indicates that ethylene acts as a decay promoter, shifting kinetic control away from the Chauvin cycle and suppressing metathesis activity. Comparative studies on catalysts with varying Mo loading reveal that promotion is most effective for dispersed molybdate species, with a decline at higher Mo loadings. These findings provide a unified mechanistic framework for heterogeneous olefin metathesis, offering new strategies to enhance active site accessibility, mitigate deactivation, and optimize catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

p-Block Metal Oxide Noninnocence in the Oxygen Evolution Reaction in Acid: The Case of Bismuth Oxide

The Pourbaix diagrams of p-block Pb, Sb, and Bi establish a robust stability for their oxides in acidic solutions. Such oxides have found utility as stable frameworks to support metals that are active for oxygen evolution reaction (OER) catalysis, but they also possess two-electron redox couples, which can potentially engender OER activity. Thus, the use of p-block oxide supports provides an imperative for understanding the OER activity of the unary oxides. Toward this end, we report BiO x films that are able to perform OER catalysis at moderate overpotentials for extended periods of operation (>110 h) in highly acidic solutions (pH 1.0–2.25) with no sign of decreased OER activity during operation at current densities of 1–5 mA cm –2 . X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV), and UV-vis spectroelectrochemistry reveal a change in the Bi oxidation state prior to OER catalysis, from predominantly Bi 3+ in the as-deposited films to primarily Bi 5+ in the catalytically active films. Furthermore, this transformation is accompanied by a prominent color change from orange to dark brown. Simulations of the cyclic voltammogram catalytic profiles suggest two OER pathways for BiO x involving Bi IV O x and Bi V O x catalysts with the Bi V O x pathway prevailing after catalyst activation. Together, these results demonstrate the ability of BiO x to facilitate OER in acid with high functional stability and underscore the noninnocent role that p-block metal oxides may play in OER catalysis in acidic media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

ACTIVE

The Automated Control Testbed for Integration, Verification, and Emulation (ACTIVE) framework is a software platform designed to support the optimized operation and management of a wide range of building types. It enables the development, testing, and validation of diverse control strategies, including AI-based, rule-based, and model-based approaches. The platform facilitates a seamless transition from simulation-based evaluation of control strategies to real-world field validation and deployment. ACTIVE supports the full building management lifecycle, encompassing data acquisition and management, system monitoring, optimized control, adaptive learning services, device dispatch and coordination, as well as advanced analytics and visualization. Together, these capabilities provide an integrated environment for improving building performance, operational efficiency, reducing energy cost, and reliability.

Smith, Robert [Oak Ridge National Laboratory (ORNL↗

NASA NTRS1992

Domain-specific functional software testing: A progress report

Software Engineering is a knowledge intensive activity that involves defining, designing, developing, and maintaining software systems. In order to build effective systems to support Software Engineering activities, Artificial Intelligence techniques are needed. The application of Artificial Intelligence technology to Software Engineering is called Knowledge-based Software Engineering (KBSE). The goal of KBSE is to change the software life cycle such that software maintenance and evolution occur by modifying the specifications and then rederiving the implementation rather than by directly modifying the implementation. The use of domain knowledge in developing KBSE systems is crucial. Our work is mainly related to one area of KBSE that is called automatic specification acquisition. One example is the WATSON prototype on which our current work is based. WATSON is an automatic programming system for formalizing specifications for telephone switching software mainly restricted to POTS, i.e., plain old telephone service. Our current approach differentiates itself from other approaches in two antagonistic ways. On the one hand, we address a large and complex real-world problem instead of a 'toy domain' as in many research prototypes. On the other hand, to allow such scaling, we had to relax the ambitious goal of complete automatic programming, to the easier task of automatic testing.

Nonnenmann, Uwe↗

NASA NTRS2006

NASA's M and S Accreditation Process Plan and Specification for Space Exploration

NASA's Exploration Systems Mission Directorate (ESMD) is implementing a management approach for modeling and simulation (M&S) that will provide decision-makers information on the model's fidelity, credibility, and quality. This information will allow the decision-maker to understand the risks involved in using a model's results in the decision-making process. This presentation will discuss NASA's overall approach to achieving formal accreditation of its models or simulations supporting space exploration. The development of a formal Accreditation Plan is a key component in the preliminary activities for modeling and simulation (M&S) assessment. This presentation will describe NASA's process for identifying risks associated with M&S use and the associated M&S assessments that will dictate the level of data certification and M&S verification and validation (V&V) activities required to support the decision-making process. The M&S Accreditation Plan and Report templates for ESMD will also be illustrated.

O'Neil, David↗

NASA NTRS2018

Electric Propulsion Research and Development at NASA

Electric propulsion (EP) is an important technology for NASA. It has played a major role on three missions, that is Deep Space 1, Dawn and Space Technology 7, and it is planned for use on many more. The ion propulsion system for the ongoing Dawn mission has achieved several notable accomplishments, including providing a total velocity change (delta-V) of over 11 km/s to the spacecraft. As a result of these successes, solar electric propulsion (SEP) is now broadly recognized as an essential technology for both robotic and human exploration. NASA is currently conducting many projects focused on research and development of EP for a variety of applications. All three of NASA's mission directorates that deal directly with space exploration are actively engaged in supporting work in this area. This paper describes these projects in more detail, including the specific engineering activities being conducted at NASA's main centers for EP technology development, namely Glenn Research Center (GRC) and the Jet Propulsion Laboratory (JPL).

Schmidt, George↗

NASA NTRS2018

Electric Propulsion Research and Development at NASA

Schmidt, George↗

NASA NTRS2018

Electric Propulsion Research and Development at NASA

Electric propulsion (EP) is an important technology for NASA. It has played a major role on three missions, namely Deep Space 1, Dawn and Space Technology 7, and it is planned for use on many more. The ion propulsion system for the ongoing Dawn mission has achieved several notable accomplishments, including providing a total velocity change (delta-V) of over 11 km/s to the spacecraft. As a result of these successes, solar electric propulsion (SEP) is now broadly recognized as an essential technology for both robotic and human exploration. NASA is currently conducting many projects focused on research and development of EP for a variety of applications. All three of NASA's mission directorates that deal directly with space exploration are actively engaged in supporting work in this area. This paper describes these projects in more detail, including the specific engineering activities being conducted at NASA's main centers for EP technology development, namely Glenn Research Center (GRC) and the Jet Propulsion Laboratory (JPL).

Schmidt, George↗