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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Discrete Assemblers Utilizing Conventional Motion Systems

An alternative to additive manufacturing is disclosed, introducing an end-to-end workflow in which discrete building blocks are reversibly joined to produce assemblies called digital materials. Described is the design of the bulk-material building blocks and the devices that are assembled from them. Detailed is the design and implementation of an automated assembler, which takes advantage of the digital material structure to avoid positioning errors within a large tolerance. To generate assembly sequences, a novel CAD/CAM workflow is described for designing, simulating, and assembling digital materials. The structures assembled using this process have been evaluated, showing that the joints perform well under varying conditions and that the assembled structures are functionally precise.

Langford, William Kai↗
NASA NTRSDate not supplied

Detect and Avoid and Collision Avoidance Flight Test Results with ACAS Xr

In October 2023, the National Aeronautics and Space Administration (NASA) completed its Integration of Automated Systems flight test series, conducted under NASA’s Advanced Air Mobility project and in partnership with Sikorsky and the Defense Advanced Research Projects Agency (DARPA). The flight test effort included two crewed rotorcraft platforms. The first, a modified S-76B helicopter, served as the “ownship” for the duration of the flight test. The second vehicle, a modified S-70, served as the intruder aircraft. One Sikorsky pilot and one NASA test pilot was onboard each aircraft for every test point, with the NASA test pilot responsible for interacting with the research systems under test. Approximately half of the flight test was devoted to assessing the Federal Aviation Administration’s (FAA) next-generation collision avoidance system, the Airborne Collision Avoidance System X for Rotorcraft (ACAS Xr). The two configurations available within ACAS Xr – the Collision Avoidance System (CAS) configuration and the Detect and Avoid (DAA) configuration – were flown with an onboard pilot under Visual Flight Rules in controlled airspace over the Long Island Sound (Connecticut, USA). A total of 33 flight test cards were flown with ACAS Xr active. The ownship was equipped with ACAS Xr and the intruder was equipped with Automatic Dependent Surveillance-Broadcast (ADS-B). The test points were blocked by ACAS Xr configuration, with individual encounters varying the ownship speed (90 knots or 20 knots), the intruder designation (en-route, terminal area, or structured airspace), and method of RA execution (automated or manually executed). Results showed that the ACAS Xr alerting and guidance was largely effective and rated positively by the NASA test pilots, exemplified by zero instances of the pilots overriding an ACAS Xr Resolution Advisory (RA). Key areas of improvement, however, were noted, particularly with regards to the lack of an aural alert indicating a need to accelerate when receiving an RA at low speed and the occurrence of multiple RAs that the pilots found to be unacceptable.

detect and avoid↗
NASA NTRSDate not supplied

Detect and Avoid and Collision Avoidance Flight Test Results with ACAS Xr

In October 2023, the National Aeronautics and Space Administration (NASA) completed its Integration of Automated Systems flight test series, conducted under NASA’s Advanced Air Mobility project and in partnership with Sikorsky and the Defense Advanced Research Projects Agency (DARPA). The flight test effort included two crewed rotorcraft platforms. The first, a modified S-76B helicopter, served as the “ownship” for the duration of the flight test. The second vehicle, a modified S-70, served as the intruder aircraft. One Sikorsky pilot and one NASA test pilot was onboard each aircraft for every test point, with the NASA test pilot responsible for interacting with the research systems under test. Approximately half of the flight test was devoted to assessing the Federal Aviation Administration’s (FAA) next-generation collision avoidance system, the Airborne Collision Avoidance System X for Rotorcraft (ACAS Xr). The two configurations available within ACAS Xr – the Collision Avoidance System (CAS) configuration and the Detect and Avoid (DAA) configuration – were flown with an onboard pilot under Visual Flight Rules in controlled airspace over the Long Island Sound (Connecticut, USA). A total of 33 flight test cards were flown with ACAS Xr active. The ownship was equipped with ACAS Xr and the intruder was equipped with Automatic Dependent Surveillance-Broadcast (ADS-B). The test points were blocked by ACAS Xr configuration, with individual encounters varying the ownship speed (90 knots or 20 knots), the intruder designation (en-route, terminal area, or structured airspace), and method of RA execution (automated or manually executed). Results showed that the ACAS Xr alerting and guidance was largely effective and rated positively by the NASA test pilots, exemplified by zero instances of the pilots overriding an ACAS Xr Resolution Advisory (RA). Key areas of improvement, however, were noted, particularly with regards to the lack of an aural alert indicating a need to accelerate when receiving an RA at low speed and the occurrence of multiple RAs that the pilots found to be unacceptable.

detect and avoid↗
DOE OSTI2023

Octahedral Distortion and Excitonic Behavior of Cs 3 Bi 2 Br 9 Halide Perovskite at Low Temperature

The metal halide ionic octahedron, represented as [MX 6 ] $n$- (M = metal cation, X = halide anion), serves as the basic structural unit in halide perovskites and plays a crucial role in determining their optoelectronic and chemical properties. Thus, it is possible to correlate the responses of metal halide perovskites to various environmental stimuli with the dynamic behaviors of the [MX 6 ] $n$- octahedra. In this study, with the temperature-dependent single-crystal X ray diffraction (SCXRD) measurements on Cs 3 Bi 2 Br 9 2D halide perovskites, we can identify two classes of distortions through the lowering of temperature: intraoctahedral distortion, which is the off-centering of Bi 3+ cation within a [BiBr 6 ] 3– octahedron due to the Bi 3+ 6s 2 lone pair electrons, and interoctahedral distortion, which is the collective misalignments among the [BiBr 6 ] 3– building blocks. Free exciton (FE) and self-trapped exciton (STE) models are used to study the relationship between the distortion of octahedra in Cs 3 Bi 2 Br 9 and the corresponding changes in its optoelectronic properties, which transform from dominating blue emission above 100 K to red emission at 4 K. In conclusion, this work provides new insights into the excitonic behaviors of perovskites and suggests a possibility that we can design and rationalize the optical properties of halide perovskites by regulating the environmental stimuli based on the knowledge of behaviors of the individual [MX 6 ] $n$- building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Exact-WKB, complete resurgent structure, and mixed anomaly in quantum mechanics on S 1

We investigate the exact-WKB analysis for quantum mechanics in a periodic potential, with N minima on S 1 . We describe the Stokes graphs of a general potential problem as a network of Airy-type or degenerate Weber-type building blocks, and provide a dictionary between the two. The two formulations are equivalent, but with their own pros and cons. Exact-WKB produces the quantization condition consistent with the known conjectures and mixed anomaly. The quantization condition for the case of N-minima on the circle factorizes over the Hilbert sub-spaces labeled by discrete theta angle (or Bloch momenta), and is consistent with ’t Hooft anomaly for even N and global inconsistency for odd N. By using Delabaere-Dillinger-Pham formula, we prove that the resurgent structure is closed in these Hilbert subspaces, built on discrete theta vacua, and by a transformation, this implies that fixed topological sectors (columns of resurgence triangle) are also closed under resurgence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Intrinsic Ion Transport Properties of Block Copolymer Electrolytes

Knowledge of intrinsic properties is of central importance for materials design and assessing suitability for specific applications. Self-assembling block copolymer electrolytes (BCEs) are of great interest for applications in solid-state energy storage devices. A fundamental understanding of ion transport properties, however, is hindered by the difficulty in deconvoluting extrinsic factors, such as defects, from intrinsic factors, such as the presence of interfaces between the domains. Here, we quantify the intrinsic ion transport properties of a model BCE system consisting of poly(styrene-block-ethylene oxide) (SEO) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt using a generalizable strategy of depositing thin films on interdigitated electrodes and self-assembling fully connected parallel lamellar structures throughout the films. Comparison between conductivity in homopolymer poly(ethylene oxide) (PEO)-LiTFSI electrolytes and the analogous conducting material in SEO over a range of salt concentrations (r, molar ratio of lithium ion to ethylene oxide repeat units) and temperatures reveals that between 20% and 50% of the PEO in SEO is inactive. Using mean-field theory calculations of the domain structure and monomer concentration profiles at domain interfaces-both of which vary substantially with salt concentration-the fraction of inactive PEO in the SEO, as derived from conductivity measurements, can be quantitatively reconciled with the fraction of PEO that is mixed with greater than a few volume percent of polystyrene. Despite the detrimental interfacial effects for ion transport in BCEs, the intrinsic conductivity of the SEO studied here (ca. 10 -3 S/cm at 90 degrees C, r = 0.085) is an order of magnitude higher than reported values from bulk samples of similar molecular weight SEO (ca. 10 -4 S/cm at 90 degrees C, r = 0.085). Finally, this work provides motivation and methods for pursuing improved BCE chemical design, interfacial engineering, and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Using Controlled Impact Experiments to Understand the Effects of Cohesive Blocks on the Cratering Process

When considering large-scale impact events that occur in the gravity-regime, smallscale target heterogeneities (on order of the projectile diameter) are anticipated to have a minimal effect on the cratering process and are therefore not considered in scaling relations [1-3]. Such heterogeneities and other details of the target's strength and structure, however, become increasingly influential as the magnitude of the impact decreases [4]. At the scale of craters forming mostly in regolith on the Moon (< a few meters), for example, target properties such as cohesive strength, density, porosity, and friction have more leverage than gravity to influence the resultant crater dimensions [5]. Further complications beyond just target properties can manifest in many forms, such as subsurface layers [6]; the presence of random, competent blocks [7]; buried lenses of impact melt; and/or pockets of regolith compacted or indurated to varying degrees by previous impacts. Summing the total effect of target properties and any additional heterogeneities for integration into scaling relations is not straightforward, as each individual parameter will have unequal, and so far, unquantified, effects on the final crater. Even when craters are produced under a best-case scenario of controlled laboratory conditions, understanding the entire relevant parameter space can be a formidable task, and deconvolution of all the contributing factors can be a complex undertaking. To begin the process of quantifying such effects, we are conducting an extensive series of impact experiments to build a framework for the interpretation of craters observed on the characteristically complex surfaces throughout the solar system. Here we present the first, and simplest, configuration to be examined in this multi-year experimental campaign: one in which solitary, cohesive blocks are placed in the path of the projectile’s trajectory at different burial depths in granular, sand targets. Among the variables to be investigated in this configuration are the influence of block size, compressive strength, and burial depth.

impact crater↗
DOE OSTI2022

Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies

Botulinum neurotoxins (BoNTs) are among the deadliest of bacterial toxins. BoNT serotype A and B in particular pose the most serious threat to humans because of their high potency and persistence. To date, there is no effective treatment for late post-exposure therapy of botulism patients. Here, we aim to develop single-domain variable heavy-chain (VHH) antibodies targeting the protease domains (also known as the light chain, LC) of BoNT/A and BoNT/B as antidotes for post-intoxication treatments. Using a combination of X-ray crystallography and biochemical assays, we investigated the structures and inhibition mechanisms of a dozen unique VHHs that recognize four and three non-overlapping epitopes on the LC of BoNT/A and BoNT/B, respectively. We show that the VHHs that inhibit the LC activity occupy the extended substrate-recognition exosites or the cleavage pocket of LC/A or LC/B and thus block substrate binding. Notably, we identified several VHHs that recognize highly conserved epitopes across BoNT/A or BoNT/B subtypes, suggesting that these VHHs exhibit broad subtype efficacy. Further, we identify two novel conformations of the full-length LC/A, that could aid future development of inhibitors against BoNT/A. Our studies lay the foundation for structure-based engineering of protein- or peptide-based BoNT inhibitors with enhanced potencies and cross-subtypes properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Architector for high-throughput cross-periodic table 3D complex building

Abstract Rare-earth and actinide complexes are critical for a wealth of clean-energy applications. Three-dimensional (3D) structural generation and prediction for these organometallic systems remains a challenge, limiting opportunities for computational chemical discovery. Here, we introduce Architector , a high-throughput in-silico synthesis code for s-, p-, d-, and f-block mononuclear organometallic complexes capable of capturing nearly the full diversity of the known experimental chemical space. Beyond known chemical space, Architector performs in-silico design of new complexes including any chemically accessible metal-ligand combinations. Architector leverages metal-center symmetry, interatomic force fields, and tight binding methods to build many possible 3D conformers from minimal 2D inputs including metal oxidation and spin state. Over a set of more than 6,000 x-ray diffraction (XRD)-determined complexes spanning the periodic table, we demonstrate quantitative agreement between Architector-predicted and experimentally observed structures. Further, we demonstrate out-of-the box conformer generation and energetic rankings of non-minimum energy conformers produced from Architector , which are critical for exploring potential energy surfaces and training force fields. Overall, Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Hexaazatriphenylene‐Based Two‐Dimensional Conductive Covalent Organic Framework with Anisotropic Charge Transfer

Here, the development of covalent organic frameworks (COFs) with efficient charge transport is of immense interest for applications in optoelectronic devices. To enhance COF charge transport properties, electroactive building blocks and dopants can be used to induce extended conduction channels. However, understanding their intricate interplay remains challenging. We designed and synthesized a tailor-made COF structure with electroactive hexaazatriphenylene (HAT) core units and planar dioxin (D) linkages, denoted as HD-COF. With the support of theoretical calculations, we found that the HAT units in the HD-COF induce strong, eclipsed π–π stacking. The unique stacking of HAT units and the weak in-plane conjugation of dioxin linkages leads to efficient anisotropic charge transport. We fabricated HD-COF films to minimize the grain boundary effect of bulk COFs, which resulted in enhanced conductivity. As a result, the HD-COF films showed an electrical conductivity as high as 1.25 S cm −1 after doping with tris(4-bromophenyl)ammoniumyl hexachloroantimonate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

When SLIPS meets TIPS: An endogenous lubricant-infused surface by taking the diluent as the lubricant

Slippery lubricant-infused porous surfaces (SLIPSs) hold great promise in fields requiring adhesion resistance such as self-cleaning, anti-fouling, anti-icing, and anti-scaling. However, their road to practical application is still blocked by the complicated fabrication process and the restricted coating area. To address these challenges, we propose a new concept of endogenous SLIPS in which the porous structure grows from the solution coating of polypropylene/caprylyl methicone undergoing a thermally induced phase separation (TIPS) process. Caprylyl methicone serves as the diluent during TIPS as well as the lubricant in the SLIPS so that the coating can be fabricated in one step and unrestrictedly. Furthermore, the dissolution and phase separation mechanisms have been revealed by molecular dynamic simulation and in situ microscopic observation. Such SLIPSs exhibits impressive sliding property even for sticky and viscous liquids and exhibit extremely low ice adhesion in anti-icing tests.

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

Miktoarm Star Polymers: Synthesis and Applications

Polymers with precisely controlled structure and function are in high demand across a diverse array of applications spanning the life sciences and nanotechnology. One prototypical example is a class of branched block copolymers known as miktoarm stars (μ-stars), which contain two or more arm compositions connected at a common junction. Miktoarm stars have attracted considerable attention since their physical properties can be different from conventional linear block copolymers. This perspective highlights the latest developments and historical context in the field of miktoarm star polymers, including design strategies, synthetic techniques, and advanced characterization tools used to avoid common preparation pitfalls and tailor properties for emerging applications. Furthermore, our contemporary perspective on μ-star polymers is a resource for inspiring future research into this exciting class of materials at the intersection of chemistry, physics, and advanced technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

How the Size and Density of Charge-Transfer Excitons Depend on Heterojunction’s Architecture

We have characterized the size, intensity, density, and distribution of charge-transfer (CT) excitons as a function of the acceptor–donor architecture of prototypical organic interfaces. This characterization was done by computational analysis of 17 models of varying numbers, positions, and orientations of the donor and acceptor molecules. The models’ building blocks were phenyl-C61-butyric acid methyl ester (PCBM) fullerene acceptors and dual-band donor polymers composed of thiophene, benzothiadiazole, and benzotriazole subunits. The electronic structure of the donor–acceptor complexes was computed with the time-dependent long-range-corrected density-functional tight-binding method and analyzed with the fragment-based one-electron transition density matrix. In all models, the complexes with edge-on orientation have denser spectra of low-energy CT states lying below the absorption bands compared to the complexes with face-on orientation. This CT-state distribution in edge-on complexes provides a gate to efficiently populate cold CT excitons. Moreover, the cold CT excitons have a higher degree of charge separation in the edge-on than in the face-on complexes. The CT amount and the CT exciton size generally increase with the energy of the CT states, although the electron remains localized on a single molecule in cold CT states. Delocalization over two PCBM molecules was observed for high-energy CT states. The exciton size also depends on the orientation. Larger excitons are produced by the delocalization of the electrons perpendicularly to the interface. When the delocalization is parallel, the smaller electron–hole distances yield moderately sized CT excitons.

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

Two-Step Thermoresponsive Ultrafiltration Membranes from Polymerization of Lyotropic Liquid Crystals

Here, in this study, we present the fabrication of a two-step thermoresponsive ultrafiltration (UF) membrane through polymerization of a lyotropic liquid crystal (LLC). A mixture of commercially available Pluronic F 127 block copolymer, water (containing ammonium persulfate as the initiator), and polymerizable oil (n-butyl acrylate/ethylene glycol dimethacrylate) is used to create an LLC with a lamellar structure, as characterized by cross-polarized light microscopy and atomic force microscopy. Differential scanning calorimetry is employed to evaluate the thermoresponsive behavior of the polymerized LLC (polyLLC). Two-step thermoresponsiveness (~35 and ~50 °C) of the polyLLC is observed due to the lower critical solution temperature (LCST) of F 127 and melting of the crystalline structure of the polyethylene oxide (PEO) chains of the F 127 surfactant. In the next step, the obtained mesophase is cast on a nonwoven polyester support sheet followed by thermal polymerization. The hydration capacity, water flux, water flux recovery after fouling, and molecular weight cutoff (MWCO) of the obtained membrane are evaluated at different temperatures to examine its thermoresponsiveness. The experimental results reveal that the UF membrane has a reversible thermoresponsive behavior at the LCST and PEO melting of polyLLC. Additionally, the cleaning efficiency of the fouled membrane can be enhanced by using its thermoresponsive behavior, resulting in an extended lifetime of the product. Furthermore, the MWCO of the membrane can be altered with temperature due to the pore size change with temperature stimulus.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Slotted waveguide array antennas for spaceborne SAR applications

Starting with mission definitions and constraints for the NASA proposed Shuttle Active Microwave Experiments (SAMEX) and Free Flying Imaging Radar Experiment (FIREX), Hughes Aircraft Company has compiled and studied the technology available for slotted waveguide planar array antennas suitable for spaceborne SAR application. Antenna performance is derived, and fabrication techniques are discussed. Mission requirements will always lead to an aperture subdivided into waveguide modules, thereby validating a module definition for other mission building blocks. Finally, a specific design is proposed for a SAMEX mission using the modules as RF aperture building blocks, resulting in a (nominal) 15.1 meter by 5.5 meter extensile dual polarized L-, C-, and X-band planar array with an associated extensile graphite/epoxy support structure. Antenna development begin with a fabrication method development study involving a representative portion of an antenna module.

Bostrom, D. E.↗
NASA NTRS1988

A concatenated coded modulation scheme for error control

A concatenated coded modulation scheme for error control in data communications is presented. The scheme is achieved by concatenating a Reed-Solomon outer code and a bandwidth efficient block inner code for M-ary PSK modulation. Error performance of the scheme is analyzed for an AWGN channel. It is shown that extremely high reliability can be attained by using a simple M-ary PSK modulation inner code and relatively powerful Reed-Solomon outer code. Furthermore, if an inner code of high effective rate is used, the bandwidth expansion required by the scheme due to coding will be greatly reduced. The proposed scheme is particularly effective for high speed satellite communication for large file transfer where high reliability is required. Also presented is a simple method for constructing block codes for M-ary PSK modulation. Some short M-ary PSK codes with good minimum squared Euclidean distance are constructed. These codes have trellis structure and hence can be decoded with a soft decision Viterbi decoding algorithm.

Kasami, Tadao↗
NASA NTRS1988

A concatenated coded modulation scheme for error control (addition 2)

A concatenated coded modulation scheme for error control in data communications is described. The scheme is achieved by concatenating a Reed-Solomon outer code and a bandwidth efficient block inner code for M-ary PSK modulation. Error performance of the scheme is analyzed for an AWGN channel. It is shown that extremely high reliability can be attained by using a simple M-ary PSK modulation inner code and a relatively powerful Reed-Solomon outer code. Furthermore, if an inner code of high effective rate is used, the bandwidth expansion required by the scheme due to coding will be greatly reduced. The proposed scheme is particularly effective for high-speed satellite communications for large file transfer where high reliability is required. This paper also presents a simple method for constructing block codes for M-ary PSK modulation. Some short M-ary PSK codes with good minimum squared Euclidean distance are constructed. These codes have trellis structure and hence can be decoded with a soft-decision Viterbi decoding algorithm. Furthermore, some of these codes are phase invariant under multiples of 45 deg rotation.

Lin, Shu↗