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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Protein machines and self assembly in muscle organization

The remarkable order of striated muscle is the result of a complex series of protein interactions at different levels of organization. Within muscle, the thick filament and its major protein myosin are classical examples of functioning protein machines. Our understanding of the structure and assembly of thick filaments and their organization into the regular arrays of the A-band has recently been enhanced by the application of biochemical, genetic, and structural approaches. Detailed studies of the thick filament backbone have shown that the myosins are organized into a tubular structure. Additional protein machines and specific myosin rod sequences have been identified that play significant roles in thick filament structure, assembly, and organization. These include intrinsic filament components, cross-linking molecules of the M-band and constituents of the membrane-cytoskeleton system. Muscle organization is directed by the multistep actions of protein machines that take advantage of well-established self-assembly relationships. Copyright 1999 John Wiley & Sons, Inc.

NASA Discipline Musculoskeletal↗
DOE OSTI2021

Hydrogen bonded trimesic acid networks on Cu(111) reveal how basic chemical properties are imprinted in HR-AFM images

High resolution non-contact atomic force microscopy measurements characterize assemblies of trimesic acid molecules on Cu(111) and the link group interactions, providing the first fingerprints utilizing CO-based probes for this widely studied paradigm for hydrogen bond driven molecular self assembly. The enhanced submolecular resolution offered by this technique uniquely reveals key aspects of the competing interactions. Accurate comparison between full-density-based modeled images and experiment allows to identify key structural elements in the assembly in terms of the electron-withdrawing character of the carboxylic groups, interactions of those groups with Cu atoms in the surface, and the valence electron density in the intermolecular region of the hydrogen bonds. This study of trimesic acid assemblies on Cu(111) combining high resolution atomic force microscopy measurements with theory and simulation forges clear connections between fundamental chemical properties of molecules and key features imprinted in force images with submolecular resolution.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) (Final Technical Report)

The Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) project advances resilience science and engineering by addressing challenges in rural Kansas communities where aging infrastructure, extreme weather, and socioeconomic disparities heighten vulnerability to energy disruptions. Traditional approaches often focus on technical performance while overlooking community concerns and priorities. SAFER responds by integrating community perspectives with advanced analytical frameworks to create a holistic model for measuring and improving resilience. Project objectives included developing novel resilience metrics, advancing modeling frameworks that capture interdependencies across infrastructures, and embedding community-centric indicators directly into planning processes for distributed energy resources. The key technical innovations included the creation of self-organizing map (SOM)-based indices for objective resilience quantification, hetero-functional graph theory (HFGT) models linking power, water, transportation, and community assets, and graph neural network (GNN) tools for identifying critical nodes in complex systems. Community-centric energy planning was demonstrated through optimal siting and sizing of (photovoltaic) PV and battery storage, ensuring resilience enhancements also addressed energy burden and energy insecurity. SAFER engaged community partners in Dodge City and Ford County through surveys, focus groups, and workshops, generating more than 600 responses that established baseline measures of energy burden, financial insecurity, and willingness-to-pay to avoid outages. This data, organized in terms of a community capitals framework, informed the development of weighted reliability indices that better reflect community costs than traditional utility metrics. SAFER’s GNN-based critical node identification framework identified expert-labelled critical nodes with over 99% accuracy, while also uncovering additional functionalities essential for proactive resilience planning. The project’s models demonstrated that optimal PV and storage deployment could improve resilience indices by over 11 percent, with dispatch strategies further enhancing outcomes, confirming both the technical effectiveness and economic feasibility of these approaches. Through its combined emphasis on rigorous modeling, community-focused planning, and community engagement, SAFER advances the state of resilience research while delivering direct benefits to rural communities. The project provides tools, guidelines, and resilience heatmaps that help utilities, local governments, and residents better anticipate disruptions, prioritize investments, and strengthen the capacity to withstand and recover from energy-related hazards. Furthermore, the developed HFG and GNN frameworks are designed for transferability, allowing them to be adapted for resilience planning in other communities with minimal retraining. This inductive learning capability provides a scalable pathway to extend the SAFER project’s impact. Thus, creating a foundation for a nationally applicable model of infrastructure resilience. Additionally, the HFG can also be extended to include other FEMA community lifelines.

14 SOLAR ENERGY↗
DOE OSTI2026

Extracting Critical Metals from Authentic Bauxite Residue

Securing domestic sources of critical minerals (CM) is paramount to ensuring a robust and self-sustaining technology infrastructure. Utilizing untapped non-conventional sources, like acid mine drainage, coal ash, bauxite residue/red mud, and more is an emerging approach that addresses this national concern while identifying new value-added pathways originating from waste streams. Red mud is a byproduct of the Bayer process that produces alumina and contains a wealth of CM – 50 µg/g Ga, 2.9 mg/g total rare earth elements plus yttrium, 12 mg/g Mn, 58 mg/g Al, and others. About 170 MM tonnes of red mud are co-produced annually alongside the 142 MM tonnes of alumina generated, highlighting the abundancy of this feedstock. In this work, different strategies were explored for extracting CM from authentic bauxite residue that involve thermal heating, microwave heating, and sonication all with different acids and buffers. CM recovery was then explored one step further by testing the adsorption of the extracted metals onto NETL’s Multi-functional Sorbent Technology (MUST). Microwave treatment of red mud proved the most effective CM extraction, whereas sonication was less desirable due to scale-up concerns. Successful recovery of CM from this leachate with MUST supports further studies toward optimizing the overall process.

bauxite residue↗
NASA NTRS1989

Expert systems for automated maintenance of a Mars oxygen production system

A prototype expert system was developed for maintaining autonomous operation of a Mars oxygen production system. Normal operation conditions and failure modes according to certain desired criteria are tested and identified. Several schemes for failure detection and isolation using forward chaining, backward chaining, knowledge-based and rule-based are devised to perform several housekeeping functions. These functions include self-health checkout, an emergency shut down program, fault detection and conventional control activities. An effort was made to derive the dynamic model of the system using Bond-Graph technique in order to develop the model-based failure detection and isolation scheme by estimation method. Finally, computer simulations and experimental results demonstrated the feasibility of the expert system and a preliminary reliability analysis for the oxygen production system is also provided.

Ash, Robert L.↗
NASA NTRS1991

Rigid lightweight optical bench for a spaceborne FUV spatial heterodyne interferometer

Requirements for spaceflight optical instruments usually dictate that for the structures be rigid, lightweight, and thermally stable. In addition, for interferometric far ultraviolet (FUV) spectrometers, the requirements for torsional deflection are more severe than with conventional spectrometers. To meet the challenge for rigid and lightweight optical instruments, this paper explores the design of a high-stiffness structure for the support of an FUV spatial heterodyne interferometer where the torsional deflection of the instrument is on the order of 10 arc seconds. The structure is based on use of a thin, hollow section beam with weight-relieving between optical elements. The design also uses a modular and self-contained positioning mechanism that is removed after final optical alignment. Several specific material properties are presented as criteria for material selection. The parameters which affect the particular design requirements are identified with respect to the desired material properties and physical design features. Although large thin sections are susceptible to thermal gradients, this could be minimized by a trade-off for weight, where adequate margin exists. This paper describes the preliminary design for the structure and presents an analysis to verify compliance with the requirements.

Tom, James L.↗
NASA NTRS1995

Spectral variation of high power microwave pulse propagating in a self-generated plasma

A systematic study to understand the spectral variation of a high power microwave pulse propagating in a self-generated plasma is carried out. It includes the theoretical formulation, experimental demonstration, and computer simulations and computer experiments. The experiment of pulse propagation is conducted in a vacuum chamber filled with dry air (approximately 0.2 torr); the chamber is made of a 2 ft. cube of Plexiglas. A rectangular microwave pulse (1 microsec pulse width and 3.27 GHz carrier frequency) is fed into the cube through an S band microwave horn placed at one side of the chamber. A second S-band horn placed at the opposite side of the chamber is used to receive the transmitted pulse. The spectra of the incident pulse and transmitted pulse are then compared. As the power of the incident pulse is only slightly (less than 15%) above the breakdown threshold power of the background air, the peak of the spectrum of the transmitted pulse is upshifted from the carrier frequency 3.27 GHz of the incident pulse. However, as the power of the incident pulse exceeds the breakdown threshold power of the background air by 30%, a different phenomenon appears. The spectrum of the transmitted pulse begins to have two peaks. One is upshifted and the other one downshifted from the single peak location of the incident pulse. The amount of frequency downshift is comparable to that of the upshifted frequency. A theoretical model describing the experiment of pulse propagation in a self-generated plasma is developed. There are excellent agreements between the experimental results and computer simulations based on this theoretical model, which is also used to further carry out computer experiments identifying the role of plasma introduced wave loss on the result of frequency downshift phenomenon.

Ren, A.↗
NASA NTRS2022

The hierarchical organization of autocatalytic reaction networks and its relevance to origin of life

Abiogenesis has long been suspected to require that chemical reaction networks contain multiple autocatalytic cores, but little is known about what features of these networks allow for the gradual accretion of complexity. To identify realistic scenarios for the emergence of life-like properties, we develop the concept of a seed-dependent autocatalytic system (SDAS), which is a subnetwork that can autocatalytically self-maintain given a flux of food, but cannot be initiated by food alone. Rather, initiation of SDASs requires the transient introduction of chemical “seeds”. We show that, depending on the topological relationship of SDASs in a chemical reaction network, a food-driven system can accrete complexity in a historically contingent manner, governed by rare seeding events. We develop new algorithms for detecting and analyzing SDASs in chemical reaction databases and describe parallels between multi-SDAS networks and biological ecosystems. Applying our algorithms to both an abiotic reaction network and a biochemical one, each driven by a set of simple food chemicals, we detect SDASs that are organized as trophic tiers, of which the higher tier can be seeded by relatively simple chemicals if the lower tier is already activated. This indicates that sequential activation of trophically organized SDASs by seed chemicals that are not much more complex than what already exist could be a mechanism of gradual complexification from relatively simple abiotic reactions to more complex life-like systems. Interestingly, in both reaction networks, higher-tier SDASs include chemicals that might alter emergent features of chemical systems and could serve as early targets of selection. Our analysis provides computational tools for analyzing very large chemical/biochemical reaction networks and suggests new approaches to studying abiogenesis in the lab.

Zhen Peng↗
NASA NTRS1990

An assessment of full potential and Euler solutions for self-generated rotor blade-vortex interactions

An assessment is made of the accuracy and suitability of the three-dimensional full potential and Euler equations in the modeling of subcritical and supercritical rotor blade-vortex interactions (BVI). The interaction velocity fields are obtained through a nonlinear superposition of the rotor and the vortex wake flow fields. Vortex effects are simulated using the velocity 'transpiration' approach. A modified surface condition is prescribed and enforced at each time step of the computations to satisfy the tangency boundary condition. Potential blade-vortex encounters are identified and tracked in time at equal increments of rotor azimuth using the lifting-line helicopter/rotor trim code CAMRAD. This information is then utilized in interpolation routines within the flow solvers to compute the instantaneous position(s) of the interaction vortex element(s) with respect to the blade for the time-accurate calculations. Results for subcritical self-generated BVI and for supercritical interactions resulting from an upstream-generated vortex are presented.

Hassan, A. A.↗
DOE OSTI2023

XFEL Microcrystallography of Self-Assembling Silver n -Alkanethiolates

New synthetic hybrid materials and their increasing complexity have placed growing demands on crystal growth for single-crystal X-ray diffraction analysis. Unfortunately, not all chemical systems are conducive to the isolation of single crystals for traditional characterization. Here, small-molecule serial femtosecond crystallography (smSFX) at atomic resolution (0.833 Å) is employed to characterize microcrystalline silver n-alkanethiolates with various alkyl chain lengths at X-ray free electron laser facilities, resolving long-standing controversies regarding the atomic connectivity and odd–even effects of layer stacking. smSFX provides high-quality crystal structures directly from the powder of the true unknowns, a capability that is particularly useful for systems having notoriously small or defective crystals. We present crystal structures of silver n-butanethiolate (C4), silver n-hexanethiolate (C6), and silver n-nonanethiolate (C9). We show that an odd–even effect originates from the orientation of the terminal methyl group and its role in packing efficiency. We also propose a secondary odd–even effect involving multiple mosaic blocks in the crystals containing even-numbered chains, identified by selected-area electron diffraction measurements. Finally, we conclude with a discussion of the merits of the synthetic preparation for the preparation of microdiffraction specimens and compare the long-range order in these crystals to that of self-assembled monolayers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Identifying Electric Vehicles to Best Serve University Fleet Needs and Support Sustainability Goals

University fleets represent an enticing opportunity to explore the near-term feasibility of achieving net-zero-carbon emissions in transportation. In many instances, universities operate much like a small, self-contained ecosystem with all the same transportation needs as a larger municipality, but with a smaller geographic footprint. Their fleets often include a wide variety of vehicle types serving the campus, including low-speed vehicles (e.g., golf carts), light-duty sedans, SUVs, and pickups, as well as medium-duty trucks and delivery vehicles. The mix of vehicle and operational needs combined with broader activities related to net-zero campuses makes universities and colleges unique microcosms to determine the feasibility of and path to achieving net-zero fleets. As the availability of electric drivetrains expands beyond light-duty sedans, fleets need to understand when it will be operationally and financially appropriate to start adding electric drivetrains to their fleets. To better understand these opportunities, NREL contracted Sawatch Labs to analyze the role electric vehicles (EVs) can have in helping universities meet net-zero emissions and fleet sustainability goals they have instituted.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Development of a Fast-Spectrum Self-Powered Neutron Detector for Molten Salt Experiments in the Versatile Test Reactor

Abstract—The self-powered neutron detector (SPND) is a widely used flux monitor in thermal nuclear reactors. Although this is a mature technology, the current state of the art is tuned for a thermal neutron spectrum, so many of the devices currently in use lack sensitivity to fast neutrons. Because current in SPNDs is produced through nuclear reactions with the neutron flux inside a reactor, sensitivity in SPNDs is determined by the neutron cross section of the neutron-sensitive portion of the detector, termed the emitter. This neutron cross section drops by orders of magnitude between thermal and fast neutron energies for many emitters in currently used SPNDs, with a corresponding drop in current from the detector. This paper discusses efforts to develop a fast-spectrum self-powered neutron detector (FS-SPND) that is sensitive to neutrons with energies ranging from 0.025 eV up to 1 MeV. An in-depth analysis of Evaluated Nuclear Data File (ENDF)/B-VII.1 neutron-capture cross sections was performed, and four new materials were identified that are suitable emitter candidates for use in measuring fast neutrons. All four materials are stable mid-shell nuclei in the region between doubly magic 132Sn and 208Pb. Each candidate was simulated with the Geant4 Monte Carlo simulation toolkit to optimize overall detector efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Transport barriers to self-propelled particles in fluid flows

Here, we present theory and experiments demonstrating the existence of invariant manifolds that impede the motion of microswimmers in two-dimensional fluid flows. One-way barriers are apparent in a hyperbolic fluid flow that block the swimming of both smooth-swimming and run-and-tumble Bacillus subtilis bacteria. We identify key phase-space structures, called swimming invariant manifolds (SwIMs), that serve as separatrices between different regions of long-time swimmer behavior. When projected into xy space, the edges of the SwIMs act as one-way barriers, consistent with the experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

In situ formation of pseudohalide anions induced by humid air and light passivates formamidinium‐based halide perovskites

Abstract Metal halide perovskites based on formamidinium (FA), or FA‐rich compositions have shown great promise for high‐performance photovoltaics. A deeper understanding of the impact of ambient conditions (e.g., moisture, oxygen, and illumination) on the possible reactions of FA‐based perovskite films and their processing sensitivities has become critical for further advances toward commercialization. Herein, we investigate reactions that take place on the surface of the FA 0.7 Cs 0.3 , mixed Br/I wide bandgap perovskite thin films in the presence of humid air and ambient illumination. The treatment forms a surface layer containing O, OH, and N‐based anions. We propose the latter originates from formamidine trapped at the perovskite/oxide interface reacting further to cyanide and/or formamidinate—an understudied class of pseudohalides that bind to Pb. Optimized treatment conditions improve photoluminescence quantum yield owing to both reduced surface recombination velocity and increased bulk carrier lifetime. The corresponding perovskite solar cells also exhibit improved performance. Identifying these reactions opens possibilities for better utilizing cyanide and amidinate ligands, species that may be expected during vapor processing of FA‐based perovskites. Our work also provides new insights into the self‐healing or self‐passivating of MA‐free perovskite compositions where FA and iodide damage could be partially offset by advantageous reaction byproducts. image

14 SOLAR ENERGY↗
DOE OSTI2025

High-throughput computational framework for high-order anharmonic thermal transport in cubic and tetragonal crystals

Accurate first-principles prediction of lattice thermal conductivity (κL) remains challenging in identifying materials with extreme thermal behavior. While the harmonic approximation with three-phonon scattering (HA + 3ph) is now routine, reliable κL prediction often requires higher-order anharmonic effects, including self-consistent phonon renormalization, three- and four-phonon scattering, and off-diagonal heat flux (SCPH + 3, 4ph + OD). We present a state-of-the-art high-throughput workflow that unifies these effects and apply it to 773 cubic and tetragonal crystals spanning diverse chemistries and structures. From 562 dynamically stable compounds, we assess the hierarchical impacts of higher-order anharmonicity. For around 60% of materials, HA + 3ph predictions closely match those from SCPH + 3, 4ph + OD. SCPH generally increases κ L , by over 8 times in extreme cases, whereas four-phonon scattering universally suppresses κ L , sometimes to 15% of the HA + 3ph value. Off-diagonal contributions are negligible in high-κ L systems but can rival diagonal terms in highly anharmonic low-κ L compounds. We highlight four case studies, Rb 2 TlAlH 6 , Cu 3 VSe 4 , CuBr, and KTlCl 4 , that exhibit distinct extreme behaviors. This work delivers not only a robust workflow for high-fidelity κL dataset but also a quantitative framework to determine when higher-order effects are essential. The hierarchy of κ L results, from the HA + 3ph to SCPH + 3, 4ph + OD level, offers a scalable, interpretable route to discovering next-generation extreme thermal materials.

36 MATERIALS SCIENCE↗
NASA NTRS1974

SIRU utilization. Volume 1: Theory, development and test evaluation

The theory, development, and test evaluations of the Strapdown Inertial Reference Unit (SIRU) are discussed. The statistical failure detection and isolation, single position calibration, and self alignment techniques are emphasized. Circuit diagrams of the system components are provided. Mathematical models are developed to show the performance characteristics of the subsystems. Specific areas of the utilization program are identified as: (1) error source propagation characteristics and (2) local level navigation performance demonstrations.

Musoff, H.↗
NASA NTRS1975

Teleoperator/robot technology can help solve biomedical problems

Teleoperator and robot technology appears to offer the possibility to apply these techniques to the benefit for the severely handicapped giving them greater self reliance and independence. Major problem areas in the development of prostheses and remotely controlled devices for the handicapped are briefly discussed, and the parallelism with problems in the development of teleoperator/robots identified. A brief description of specific ongoing and projected developments in the area of remotely controlled devices (wheelchairs and manipulators) is provided.

Heer, E.↗
NASA NTRS1983

Bringing AI up to the space challenge

The state of the art in automated systems for working in environments hostile to humans is assessed, together with the technological advancements necessary to meet NASA goals. Since completely automated operations are not possible with the current level of artificial intelligence (AI), the operator must have access to remote television access and interactive computerized controls. A proximal system exists when the teleoperated mechanism is close enough so that negligible time passes between operator and servocontrolled activation and feedback. An additional constraint is the complexity of the signal. Further development areas have been identified as limiting the necessary communication, compensating for technical limitations of communication with remote systems, such as bandwidth, error rate, and equipment response time, and to build-in fault tolerance, self-diagnosis, and self-maintenance capabilities. An AI expert system is being developed at JPL to provide an expert knowledge base and a decision-making capability. It is suggested that only thorough questioning of mission and spacecraft experts, as well as searching the large volume of project documentations, will provide the necessary data for establishing an expert data base for AI implementation.

Heer, E.↗