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DOE OSTI2026

The Role of Cooperative Interactions Among Surfaces, Solvents, and Reactive Intermediates on Catalysis at Liquid–Solid Interfaces (Final Report DE-SC0020224)

This project established quantitative links between inner‑sphere chemistry (active metal identity, coordination, and zeolite topology) and outer‑sphere organization (solvent identity, hydrogen‑bond networks, and pore condensation) that govern rates, activation barriers, and selectivities for alkene epoxidation and epoxide ring‑opening at solid–liquid and quasi‑liquid–solid interfaces. We deconvoluted contributions from covalent interactions at active sites and noncovalent, solvent‑mediated interactions within pores by pairing well‑defined metal substituted zeolites with controlled solvent environments. We then mapped those contributions onto measurable kinetics (ΔH‡, ΔS‡), adsorption thermodynamics (ITC), and in situ spectroscopy. The transferrable outcomes include a set of design rules that include the following understandings. First, tune silanol ((SiOH)x) density and pore topology to organize solvent networks that selectively stabilize transition states. Second, exploit activity‑coefficient‑normalized rates and adsorption– barrier correlations to diagnose when solvent reorganization rather than surface chemistry limits performance. Third, use partial pore condensation (e.g., acetonitrile, water but also generalizable to other solvents) to elicit liquid‑like stabilization effects even in nominally vapor‑phase reactors. Collectively, these results provide strategies to increase epoxidation rates, improve oxidant utilization (i.e., selectivities), and steer regioselectivity in zeolite‑based catalytic processes relevant to sustainable oxidation chemistry. These outcomes should be transferable to other classes of reactions that proceed in microporous materials and under confinement provided by organized solvents (e.g., electrochemical double layers).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1979

Fuel spray data with LDV

Droplet size and two component velocities in the severe environment of an operating gas turbine combustor system can be measured simultaneously using the solar laser morphokinetomer (SLM) which incorporates the following capabilities: (1) measurement of a true two-dimensional velocity vector with a range of + or - (0.01-200 m/sec); (2) measurement of particle size (range 5 to 300 micron m) simultaneously with the measurement of velocity; (3) specification of probe volume position coordinates with a high degree of accuracy (+ or - 0.5 mm); (4) immediate on-line data checks; and (5) rapid computer storage of acquired data. The optical system of the SLM incorporates an ultrasonic beam splitter to allow the measurement of a two-dimensional velocity vector simultaneously with particle size. A microprocessor with a limited storage capability permits immediate analysis of test data in the test cell.

Rohy, D. A.↗

NASA NTRS1987

Analytical design of intelligent machines

The problem of designing 'intelligent machines' to operate in uncertain environments with minimum supervision or interaction with a human operator is examined. The structure of an 'intelligent machine' is defined to be the structure of a Hierarchically Intelligent Control System, composed of three levels hierarchically ordered according to the principle of 'increasing precision with decreasing intelligence', namely: the organizational level, performing general information processing tasks in association with a long-term memory; the coordination level, dealing with specific information processing tasks with a short-term memory; and the control level, which performs the execution of various tasks through hardware using feedback control methods. The behavior of such a machine may be managed by controls with special considerations and its 'intelligence' is directly related to the derivation of a compatible measure that associates the intelligence of the higher levels with the concept of entropy, which is a sufficient analytic measure that unifies the treatment of all the levels of an 'intelligent machine' as the mathematical problem of finding the right sequence of internal decisions and controls for a system structured in the order of intelligence and inverse order of precision such that it minimizes its total entropy. A case study on the automatic maintenance of a nuclear plant illustrates the proposed approach.

Saridis, George N.↗

NASA NTRS2001

Composite Materials for Radiation Shielding During Deep Space Missions

Minimizing radiation exposure from the galactic cosmic ray (GCR) environment during deep space missions is essential to human health and sensitive instrument survivability. Given the fabrication constraints of space transportation vehicles protective shielding is, consequently, a complicated materials issue. These concerns are presented and considered in view of some novel composite materials being developed/suggested for GCR shielding applications. Advantages and disadvantages of the composites will be discussed as well as the need for coordinated testing/evaluation and modeling efforts.

Grugel, R. N.↗

NASA NTRS2001

Composite Materials for Radiation Shielding During Deep Space Missions

Grugel, R. N.↗

NASA NTRS2012

Origins of GEMS Grains

Interplanetary dust particles (IDPs) collected in the Earth s stratosphere contain high abundances of submicrometer amorphous silicates known as GEMS grains. From their birth as condensates in the outflows of oxygen-rich evolved stars, processing in interstellar space, and incorporation into disks around new stars, amorphous silicates predominate in most astrophysical environments. Amorphous silicates were a major building block of our Solar System and are prominent in infrared spectra of comets. Anhydrous interplanetary dust particles (IDPs) thought to derive from comets contain abundant amorphous silicates known as GEMS (glass with embedded metal and sulfides) grains. GEMS grains have been proposed to be isotopically and chemically homogenized interstellar amorphous silicate dust. We evaluated this hypothesis through coordinated chemical and isotopic analyses of GEMS grains in a suite of IDPs to constrain their origins. GEMS grains show order of magnitude variations in Mg, Fe, Ca, and S abundances. GEMS grains do not match the average element abundances inferred for ISM dust containing on average, too little Mg, Fe, and Ca, and too much S. GEMS grains have complementary compositions to the crystalline components in IDPs suggesting that they formed from the same reservoir. We did not observe any unequivocal microstructural or chemical evidence that GEMS grains experienced prolonged exposure to radiation. We identified four GEMS grains having O isotopic compositions that point to origins in red giant branch or asymptotic giant branch stars and supernovae. Based on their O isotopic compositions, we estimate that 1-6% of GEMS grains are surviving circumstellar grains. The remaining 94-99% of GEMS grains have O isotopic compositions that are indistinguishable from terrestrial materials and carbonaceous chondrites. These isotopically solar GEMS grains either formed in the Solar System or were completely homogenized in the interstellar medium (ISM). However, the chemical compositions of GEMS grains are extremely heterogeneous and seem to rule out this possibility. Based on their solar isotopic compositions and their non-solar elemental compositions we propose that most GEMS grains formed in the nebula as late-stage non-equilibrium condensates.

Messenger, S.↗

NASA NTRSDate not supplied

Satellite Conjunction Assessment, Risk Analysis and Collision Avoidance Best Practices: The History, Evolution and Opportunities

Since Explorer 1 was launched on January 31, 1958, the United States (U.S.) has reaped the benefits of space exploration. New markets and new technologies have spurred the economy and changed lives in many ways across the national security, civil, and commercial sectors. Space technologies and space-based capabilities now provide global communications, navigation and timing, weather forecasting, and more. Space exploration also presents challenges that impact not only the U.S. but also its allies and other partners. A significant increase in the volume and diversity of activity in space means that it is becoming increasingly congested. Emerging commercial ventures such as satellite servicing, in-space manufacturing, and tourism as well as new technologies enabling small satellites and large constellations of satellites present serious challenges for safely and responsibly using space in a stable, sustainable manner. To meet these challenges, the U.S. seeks to improve global awareness of activity in space by publicly sharing flight safety-related information and by coordinating its own on-orbit activity in a safer, more responsible manner. It seeks to bolster stability and reduce current and future operational on-orbit risks so that space is sustained for future generations. To this end, new and better Space Situational Awareness (SSA) capabilities are needed to keep pace with the increased congestion, and the U.S. seeks to create a dynamic environment that encourages and rewards commercial providers who improve these capabilities. The National Aeronautics and Space Administration (NASA) Spacecraft Conjunction Assessment and Collision Avoidance Best Practices Handbook reflects how NASA currently operates, which has evolved over time. Consideration is given to important topics such as spacecraft and constellation design; spacecraft “trackability;” pre-launch preparation and early launch activities; on-orbit collision avoidance; and automated trajectory guidance and maneuvering. This talk aims to present examples of responsible practices for spacecraft Owners/Operators (O/O) to consider for lowering collision risks and operating safely in space (from LEO and beyond) in a stable and sustainable manner. As technology and innovation continues to improve upon existing capabilities, what kind of new challenges are presented in the SSA community? Can space exploration and commercial ventures thrive while keeping paramount the safety and protection of the space environment? What are the challenges and opportunities that need to be addressed and considered for space situational awareness in Cis-Lunar Space? It may prove useful for entities offering, or intending to offer, SSA or Conjunction Assessment (CA) services to consider such examples of responsible practices to protect the space environment for future use by all.

Collision Avoidance↗

NASA NTRS2001

Hippocampal place-cell firing during movement in three-dimensional space

"Place" cells of the rat hippocampus are coupled to "head direction" cells of the thalamus and limbic cortex. Head direction cells are sensitive to head direction in the horizontal plane only, which leads to the question of whether place cells similarly encode locations in the horizontal plane only, ignoring the z axis, or whether they encode locations in three dimensions. This question was addressed by recording from ensembles of CA1 pyramidal cells while rats traversed a rectangular track that could be tilted and rotated to different three-dimensional orientations. Cells were analyzed to determine whether their firing was bound to the external, three-dimensional cues of the environment, to the two-dimensional rectangular surface, or to some combination of these cues. Tilting the track 45 degrees generally provoked a partial remapping of the rectangular surface in that some cells maintained their place fields, whereas other cells either gained new place fields, lost existing fields, or changed their firing locations arbitrarily. When the tilted track was rotated relative to the distal landmarks, most place fields remapped, but a number of cells maintained the same place field relative to the x-y coordinate frame of the laboratory, ignoring the z axis. No more cells were bound to the local reference frame of the recording apparatus than would be predicted by chance. The partial remapping demonstrated that the place cell system was sensitive to the three-dimensional manipulations of the recording apparatus. Nonetheless the results were not consistent with an explicit three-dimensional tuning of individual hippocampal neurons nor were they consistent with a model in which different sets of cells are tightly coupled to different sets of environmental cues. The results are most consistent with the statement that hippocampal neurons can change their "tuning functions" in arbitrary ways when features of the sensory input or behavioral context are altered. Understanding the rules that govern the remapping phenomenon holds promise for deciphering the neural circuitry underlying hippocampal function.

Non-NASA Center↗

DOE OSTI2023

The Impacts of Developing a Port Network for Floating Offshore Wind Energy on the West Coast of the United States

Floating offshore wind is a pre-commercial industry with the potential for significant market growth on the U.S. West Coast in the near future; however, significant investment in port infrastructure will be required to enable the industry to progress from demonstration projects to efficient and cost effective commercial deployment. Developing a system of ports that can enable commercial-scale floating wind development on the West Coast of the United States will require significant levels of funding and coordination between governments, industry, ports, and local communities. A critical first step to strategically planning these resources is understanding the number of ports (and associated investment) that would be required to support different phases of offshore wind projects, including manufacturing, installation, and operation. But simply tallying up these costs is not sufficient to understand how a robust network of ports could impact local communities, the environment, workforce development, the offshore wind industry, and the West Coast region as a whole. In this report, the authors present analyses and perspectives related to port development in California, Oregon, and Washington. We describe the requirements for floating offshore wind ports that conduct manufacturing, installation, and/or service activities, and estimate the investment and time frames required to construct these ports at suitable locations in West Coast states. We develop indicators for the vulnerability and workforce accessibility of coastal communities and consider the potential risks and benefits associated with port development in these locations. We model how the proximity of an offshore wind project to installation and operations ports can impact the levelized cost of energy of the project, and then consider how these costs could be affected by local or foreign supply chains. We build upon these analyses to develop scenarios with increasing levels of offshore wind deployment and port assets on the West Coast and show how these ports could enable deployment goals to be achieved. Finally, we draw upon outreach with key floating wind stakeholders to summarize five key challenges that will need to be overcome to develop a comprehensive port network, and present potential approaches that could help to address these obstacles.

17 WIND ENERGY↗

DOE OSTI2020

Using Complementary Methods of Synchrotron Radiation Powder Diffraction and Pair Distribution Function to Refine Crystal Structures with High Quality Parameters—A Review

Determination of the atomic-scale structures of certain fine-grained minerals using single-crystal X-ray diffraction (XRD) has been challenging because they commonly occur as submicron and nanocrystals in the geological environment. Synchrotron powder diffraction and scattering techniques are useful complementary methods for studying this type of minerals. In this review, we discussed three example studies investigated by combined methods of synchrotron radiation XRD and pair distribution function (PDF) techniques: (1) low-temperature cristobalite; (2) kaolinite; and (3) vernadite. Powder XRD is useful to determine the average structure including unit-cell parameters, fractional atomic coordinates, occupancies and isotropic atomic displacement parameters. X-ray/Neutron PDF methods are sensitive to study the local structure with anisotropic atomic displacement parameters (ADP). The results and case studies suggest that the crystal structure and high-quality ADP values can be obtained using the combined methods. The method can be useful to characterize crystals and minerals that are not suitable for single-crystal XRD.

58 GEOSCIENCES↗

NASA NTRS1993

Mechanism for the acceleration and ejection of dust grains from Jupiter's magnetosphere

The Ulysses mission detected quasi-periodic streams of high-velocity submicron-sized dust particles during its encounter with Jupiter. It is shown here how the dust events could result from the acceleration and subsequent ejection of small grains by Jupiter's magnetosphere. Dust grains entering the plasma environment of the magnetosphere become charged, with the result that their motion is then determined by both electromagnetic and gravitational forces. This process is modeled, and it is found that only those particles in a certain size range gain sufficient energy to escape the Jovian system. Moreover, if Io is assumed to be the source of the dust grains, its location in geographic and geomagnetic coordinates determines the exit direction of the escaping particles, providing a possible explanation for the observed periodicities. The calculated mass and velocity range of the escaping dust gains are consistent with the Ulysses findings.

Horanyi, M.↗

NASA NTRS1993

Reactive system verification case study: Fault-tolerant transputer communication

A reactive program is one which engages in an ongoing interaction with its environment. A system which is controlled by an embedded reactive program is called a reactive system. Examples of reactive systems are aircraft flight management systems, bank automatic teller machine (ATM) networks, airline reservation systems, and computer operating systems. Reactive systems are often naturally modeled (for logical design purposes) as a composition of autonomous processes which progress concurrently and which communicate to share information and/or to coordinate activities. Formal (i.e., mathematical) frameworks for system verification are tools used to increase the users' confidence that a system design satisfies its specification. A framework for reactive system verification includes formal languages for system modeling and for behavior specification and decision procedures and/or proof-systems for verifying that the system model satisfies the system specifications. Using the Ostroff framework for reactive system verification, an approach to achieving fault-tolerant communication between transputers was shown to be effective. The key components of the design, the decoupler processes, may be viewed as discrete-event-controllers introduced to constrain system behavior such that system specifications are satisfied. The Ostroff framework was also effective. The expressiveness of the modeling language permitted construction of a faithful model of the transputer network. The relevant specifications were readily expressed in the specification language. The set of decision procedures provided was adequate to verify the specifications of interest. The need for improved support for system behavior visualization is emphasized.

Crane, D. Francis↗

NASA NTRS1986

Integrating Computer Architectures into the Design of High-Performance Controllers

Modern control systems must typically perform real-time identification and control, as well as coordinate a host of other activities related to user interaction, on-line graphics, and file management. This paper discusses five global design considerations that are useful to integrate array processor, multimicroprocessor, and host computer system architecture into versatile, high-speed controllers. Such controllers are capable of very high control throughput, and can maintain constant interaction with the non-real-time or user environment. As an application example, the architecture of a high-speed, closed-loop controller used to actively control helicopter vibration will be briefly discussed. Although this system has been designed for use as the controller for real-time rotorcraft dynamics and control studies in a wind-tunnel environment, the control architecture can generally be applied to a wide range of automatic control applications.

Jacklin, Stephen A.↗

NASA NTRS2012

IDPs and Stardust

Interplanetary dust particles (IDPs) collected in the Earth s stratosphere and NASA Stardust mission samples constitute direct samples of diverse cometary bodies. These materials are among the least altered remnants of the original building blocks of the Solar System. Both cometary materials and primitive meteorites contain a broad diversity of organic compounds that appear to have formed in a range of environments, including the presolar cold molecular cloud, the solar nebula, asteroids and comet nuclei. Isotopic anomalies in H, C, and N are commonly observed in meteoritic organic matter, reflecting chemical processes at extremely low temperatures. These isotopic anomalies are also very heterogeneous on micrometer and even smaller spatial scales, suggesting that some presolar organic grains have survived the formation of the Solar System. Most recently, coordinated transmission electron microscopy and isotopic imaging studies have shown that isotopically anomalous organic globules having rounded and often hollow structures are abundant and widespread amongst the most primitive components of meteoritic materials. These studies suggest that such organic grains were among the most important primary building blocks of the Solar System.

Messenger, Scott R.↗

NASA NTRS2015

Critical Team Composition Issues for Long-Distance and Long-Duration Space Exploration: A Literature Review, an Operational Assessment, and Recommendations for Practice and Research

Prevailing team effectiveness models suggest that teams are best positioned for success when certain enabling conditions are in place (Hackman, 1987; Hackman, 2012; Mathieu, Maynard, Rapp, & Gilson, 2008; Wageman, Hackman, & Lehman, 2005). Team composition, or the configuration of member attributes, is an enabling structure key to fostering competent teamwork (Hackman, 2002; Wageman et al., 2005). A vast body of research supports the importance of team composition in team design (Bell, 2007). For example, team composition is empirically linked to outcomes such as cooperation (Eby & Dobbins, 1997), social integration (Harrison, Price, Gavin, & Florey, 2002), shared cognition (Fisher, Bell, Dierdorff, & Belohlav, 2012), information sharing (Randall, Resick, & DeChurch, 2011), adaptability (LePine, 2005), and team performance (e.g., Bell, 2007). As such, NASA has identified team composition as a potentially powerful means for mitigating the risk of performance decrements due to inadequate crew cooperation, coordination, communication, and psychosocial adaptation in future space exploration missions. Much of what is known about effective team composition is drawn from research conducted in conventional workplaces (e.g., corporate offices, production plants). Quantitative reviews of the team composition literature (e.g., Bell, 2007; Bell, Villado, Lukasik, Belau, & Briggs, 2011) are based primarily on traditional teams. Less is known about how composition affects teams operating in extreme environments such as those that will be experienced by crews of future space exploration missions. For example, long-distance and long-duration space exploration (LDSE) crews are expected to live and work in isolated and confined environments (ICEs) for up to 30 months. Crews will also experience communication time delays from mission control, which will require crews to work more autonomously (see Appendix A for more detailed information regarding the LDSE context). Given the unique context within which LDSE crews will operate, NASA identified both a gap in knowledge related to the effective composition of autonomous, LDSE crews, and the need to identify psychological and psychosocial factors, measures, and combinations thereof that can be used to compose highly effective crews (Team Gap 8). As an initial step to address Team Gap 8, we conducted a focused literature review and operational assessment related to team composition issues for LDSE. The objectives of our research were to: (1) identify critical team composition issues and their effects on team functioning in LDSE-analogous environments with a focus on key composition factors that will most likely have the strongest influence on team performance and well-being, and 1 Astronaut diary entry in regards to group interaction aboard the ISS (p.22; Stuster, 2010) 2 (2) identify and evaluate methods used to compose teams with a focus on methods used in analogous environments. The remainder of the report includes the following components: (a) literature review methodology, (b) review of team composition theory and research, (c) methods for composing teams, (d) operational assessment results, and (e) recommendations.

Bell, Suzanne T.↗

NASA NTRS1974

Application of remote sensing data to surveys of the Alaskan environment

Coupling of satellite data to resource management problems in Alaska is implemented through feasibility studies of applicability of Landsat data to specific environmental surveys in ecology, agriculture, hydrology, wildlife management, oceanography, geology, etc.; and using the results of these studies to extend the benefits of satellite data applications to the operational needs of mission-oriented agencies of federal, state, and regional governments, as well as private industry. Activities designed to encourage the participation of users in the Landsat program at levels most appropriate to the users' interests are described and include: observation, coordination, and information exchange; training courses and workshops; data exchange; consulting services; data processing services; user participation in University research projects; and university participation in the operational projects of user agencies. Progress in these areas is reported. The effectiveness of this broad-based approach in overcoming the initial apprehensiveness of users is demonstrated.

Belon, A. E.↗

DOE OSTI2022

Histidine‐Mediated Ion Specific Effects Enable Salt Tolerance of a Pore‐Forming Marine Antimicrobial Peptide

Abstract Antimicrobial peptides (AMPs) preferentially permeate prokaryotic membranes via electrostatic binding and membrane remodeling. Such action is drastically suppressed by high salt due to increased electrostatic screening, thus it is puzzling how marine AMPs can possibly work. We examine as a model system, piscidin‐1, a histidine‐rich marine AMP, and show that ion‐histidine interactions play unanticipated roles in membrane remodeling at high salt: Histidines can simultaneously hydrogen‐bond to a phosphate and coordinate with an alkali metal ion to neutralize phosphate charge, thereby facilitating multidentate bonds to lipid headgroups in order to generate saddle‐splay curvature, a prerequisite to pore formation. A comparison among Na + , K + , and Cs + indicates that histidine‐mediated salt tolerance is ion specific. We conclude that histidine plays a unique role in enabling protein/peptide‐membrane interactions that occur in marine or other high‐salt environment.

Xian, Wujing↗

DOE OSTI2023

Mixed‐Valence Cu I /Cu III Metal–Organic Frameworks with Non‐innocent Ligand for Multielectron Transfer

Abstract We report two novel three‐dimensional copper‐benzoquinoid metal–organic frameworks (MOFs), [Cu 4 L 3 ] n and [Cu 4 L 3 ⋅ Cu(iq) 3 ] n (LH 4 =1,4‐dicyano‐2,3,5,6‐tetrahydroxybenzene, iq=isoquinoline). Spectroscopic techniques and computational studies reveal the unprecedented mixed valency in MOFs, formal Cu(I)/Cu(III). This is the first time that formally Cu(III) species are witnessed in metal–organic extended solids. The coordination between the mixed‐valence metal and redox‐non‐innocent ligand L, which promotes through‐bond charge transfer between Cu metal sites, allows better metal‐ligand orbital overlap of the d‐π conjugation, leading to strong long‐range delocalization and semiconducting behavior. Our findings highlight the significance of the unique mixed valency between formal Cu(I) and highly‐covalent Cu(III), non‐innocent ligand, and pore environments of these bench stable Cu(III)‐containing frameworks on multielectron transfer and electrochemical properties.

Fu, Shang‐Yuan↗