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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Engineered bacterial microcompartments: apps for programming metabolism

Bacterial Microcompartments (BMCs) are used by diverse bacteria to compartmentalize enzymatic reactions, functioning analogously to the organelles of eukaryotes. The bounding membrane and encapsulated components are composed entirely of protein, which makes them ideal targets for modification by genetic engineering. In contrast to viruses, in which generally only one protein forms the capsid, the shells of BMCs consist of a variety of shell proteins, each a potential unit of selection. Despite their differences in permeability, the shell proteins are surprisingly interchangeable. Recent developments have shown that they are also highly amenable to engineered modifications which poise them for a variety of biotechnological applications. Additionally, given their modular structure, with a module defined as a semi-autonomous functional unit, BMCs can be considered apps for programming metabolism that can be de-bugged by adaptive evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

NaSICON-type materials for lithium-ion battery applications: Progress and challenges

Lithium-ion batteries (LIBs) are widely used in electric vehicles, energy storage, smart grids, and portable devices due to their high average output voltage and energy density. NaSICON-type materials have been identified as potential candidates for electrode and solid electrolyte materials for LIBs due to their 3D framework, which contains Li + ions, excellent ionic conductivity, and thermal stability. NaSICON-type materials have a 3D framework and a fast Li + diffusion pathway, making them suitable for use in LIBs. However, their application as solid electrolytes is limited due to poorer ionic conductivity and interfacial stability compared to commercialized liquid electrolytes. Furthermore, their use as electrode materials is restricted by their low electronic conductivity. Here, this review provides an overview of NaSICON-type materials, including their common structure, Li + diffusion mechanism, and preparation strategies. The article also discusses the application and modification strategies of NaSICON-type materials for LIBs, classifying them as anode materials, cathode materials, and solid electrolyte materials. Additionally, the potential use of NaSICON-type materials as modification materials for cathode materials for LIBs is briefly mentioned. Building on previous work on NaSICON-type materials, we propose potential areas for further development and wider applications of these materials in LIBs.

25 ENERGY STORAGE↗
DOE OSTI2019

Differentiating Photoexcited Carrier and Phonon Dynamics in the Δ, L , and Γ Valleys of Si(100) with Transient Extreme Ultraviolet Spectroscopy

Transient extreme ultraviolet (XUV) spectroscopy probes core level transitions to unoccupied valence and conduction band states. Uncertainty remains as to what degree the core–hole created by the XUV transition modifies the measurement of photoexcited electron and hole energies. Here, the Si L 2,3 edge is measured after photoexcitation of electrons to the Δ, L, and Γ valleys of Si(100). The measured changes in the XUV transition probability do not energetically agree with the increasing electron photoexcitation energy. The data experimentally confirm that, for the Si L 2,3 edge, the time-dependent electron and hole energies are partially obscured by the core–hole perturbation. A model based on many-body approximations and the Bethe–Salpeter equation is successfully used to predict the core-hole modification of the final transition density of states in terms of both electronic and structural dynamics. The resulting fit time constants match the excited-state electron thermalization time and the intervalley electron–phonon, intravalley electron–phonon, and phonon–phonon scattering times previously measured in silicon. In conclusion, the outlined approach is a more comprehensive framework for interpreting transient XUV absorption spectra in photoexcited semiconductors.

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

Capture Instead of Release: Defect-Modulated Radionuclide Leaching Kinetics in Metal–Organic Frameworks

Comparison of defect-controlled leaching-kinetics modulation of metal–organic frameworks (MOFs) and porous functionalized silica-based materials was performed on the example of a radionuclide and radionuclide surrogate for the first time, revealing an unprecedented readsorption phenomenon. On a series of zirconium-based MOFs as model systems, we demonstrated the ability to capture and retain >99% of the transuranic 241 Am radionuclide after 1 week of storage. Here, we report the possibility of tailoring radionuclide release kinetics in MOFs through framework defects as a function of postsynthetically installed organic ligands including cation-chelating crown ether-based linkers. Based on comprehensive analysis using spectroscopy (EXAFS, UV–vis, FTIR, and NMR), X-ray crystallography (single crystal and powder), and theoretical calculations (nine kinetics models and structure simulations), we demonstrated the synergy of radionuclide integration methods, topological restrictions, postsynthetic scaffold modification, and defect engineering. This combination is inaccessible in any other material and highlights the advantages of using well-defined frameworks for gaining fundamental knowledge necessary for the advancement of actinide-based material development, providing a pathway for addressing upcoming challenges in the nuclear waste administration sector.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Ni-catalysed dicarbofunctionalization for the synthesis of sequence-encoded cyclooctene monomers

The properties of polymeric materials can be modulated by factors such as sequence control or functional group modifications. However, the synthesis of new macromolecular scaffolds is limited by the accessibility of structurally diverse monomers. This work describes a one-step, nickel-catalysed synthesis of 5,6-diaryl cyclooctene monomers from the feedstock chemical 1,5-cyclooctadiene. The reaction proceeds in a modular, regio- and diastereoselective fashion, granting access to both homo- and hetero-diaryl cyclooctene monomers that smoothly undergo ring-opening metathesis polymerization (ROMP). The resulting 1,2-diaryl-substituted polymers possess sequences with head-to-head styrene dyads that have not been previously explored, giving rise to unique and tunable properties. Density functional theory calculations highlight mechanistic aspects of the nickel-catalysed diarylation reaction and the ruthenium-catalysed ROMP process, revealing a previously unappreciated role of the boronic ester in promoting migratory insertion, which was leveraged to provide enantioinduction.

Catalytic mechanisms↗
DOE OSTI2017

Growth of electronically distinct manganite thin films by modulating cation stoichiometry

Nd 1-x Sr x MnO 3 (NSMO) is a well-known manganite due to close connection between structure, transport, magnetism, and chemistry. Thus, it would be an ideal system to study modification of physical properties by external stimuli including control of stoichiometry in growth. In this work, we show that abrupt change of electronic and magnetic properties can be achieved by subtle change of oxygen partial pressure in pulsed laser deposition. Interestingly, the pressure indeed modulates cation stoichiometry. We clearly observed that the films grown at 150 mTorr and higher showed clear insulator to metal transition and stronger magnetism, commonly found in less hole doping, while the films grown at 130 mTorr and lower showed insulating behavior and weak magnetism. From soft x-ray spectroscopic methods, we clearly observed the compositional difference in those thin films. This result is further supported by scattering of lighter elements in high oxygen partial pressure but not by anion deficiency in growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Anomalous lattice expansion of bcc Ta in helium-loaded diamond anvil cells

Anomalous lattice expansion of bcc Ta is observed in helium-loaded diamond anvil cell (DAC) experiments near 6 GPa and above 400 K, while co-loaded W, Mo, and Au exhibit normal thermal expansion. The Ta volume expansion increases with temperature, reaching ~14% near 650 K before plateauing, and is largely retained after recovery to ambient conditions. Time-resolved measurements at 500 K reveal progressive expansion over several hours, consistent with gradual, thermally activated He incorporation. The largely retained expansion during subsequent cooling and holding at 400 K indicates that the incorporated He is predominantly kinetically trapped. The data reveal two distinct regimes: below ~550 K, modest and spatially uniform expansion consistent with interstitial He trapping at isolated, randomly distributed vacancies; above ~550 K, He-vacancy cluster growth producing dramatically larger expansion, peak broadening, and a core–shell microstructure revealed by micron-resolution X-ray diffraction mapping. These results demonstrate that He is not always a passive pressure medium in DAC experiments and reveal a previously unrecognized regime of He-mediated lattice modification in Ta, complementing conventional ion-implantation studies relevant to nuclear and fusion structural materials.

Diamond anvil cell↗
DOE OSTI2018

Mechanism of tRNA-mediated +1 ribosomal frameshifting

Accurate translation of the genetic code is critical to ensure expression of proteins with correct amino acid sequences. Certain tRNAs can cause a shift out of frame (i.e., frameshifting) due to imbalances in tRNA concentrations, lack of tRNA modifications or insertions or deletions in tRNAs (called frameshift suppressors). Here, we determined the structural basis for how frameshift-suppressor tRNA SufA6 (a derivative of tRNA Pro ) reprograms the mRNA frame to translate a 4-nt codon when bound to the bacterial ribosome. After decoding at the aminoacyl (A) site, the crystal structure of the anticodon stem-loop of tRNA SufA6 bound in the peptidyl (P) site reveals ASL conformational changes that allow for recoding into the +1 mRNA frame. Furthermore, a crystal structure of full-length tRNA SufA6 programmed in the P site shows extensive conformational rearrangements of the 30S head and body domains similar to what is observed in a translocation intermediate state containing elongation factor G (EF-G). The 30S movement positions tRNA SufA6 toward the 30S exit (E) site disrupting key 16S rRNA–mRNA interactions that typically define the mRNA frame. In summary, this tRNA-induced 30S domain change in the absence of EF-G causes the ribosome to lose its grip on the mRNA and uncouples the canonical forward movement of the tRNAs during elongation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Symmetry breaking of fluorophore binding to a G-quadruplex generates an RNA aptamer with picomolar K D

Fluorogenic RNA aptamer tags with high affinity enable RNA purification and imaging. The G-quadruplex (G4) based Mango (M) series of aptamers were selected to bind a thiazole orange based (TO1-Biotin) ligand. Using a chemical biology and reselection approach, we have produced a MII.2 aptamer–ligand complex with a remarkable set of properties: Its unprecedented K D of 45 pM, formaldehyde resistance (8% v/v), temperature stability and ligand photo-recycling properties are all unusual to find simultaneously within a small RNA tag. Crystal structures demonstrate how MII.2, which differs from MII by a single A23U mutation, and modification of the TO1-Biotin ligand to TO1-6A-Biotin achieves these results. MII binds TO1-Biotin heterogeneously via a G4 surface that is surrounded by a stadium of five adenosines. Breaking this pseudo-rotational symmetry results in a highly cooperative and homogeneous ligand binding pocket: A22 of the G4 stadium stacks on the G4 binding surface while the TO1-6A-Biotin ligand completely fills the remaining three quadrants of the G4 ligand binding face. Similar optimization attempts with MIII.1, which already binds TO1-Biotin in a homogeneous manner, did not produce such marked improvements. We use the novel features of the MII.2 complex to demonstrate a powerful optically-based RNA purification system.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Pressure-induced modifications of the magnetic order in the spin-chain compound C a 3 C o 2 O 6

The structural and magnetic properties of the Ca 3 Co 2 O 6 spin-chain compound have been studied by means of neutron and x-ray powder diffraction at pressures up to 6.8 and 32 GPa, respectively. A suppression of the initial spin-density wave state (T N = 25 K) and stabilization of the collinear commensurate antiferromagnetic (AFM) state at high pressures (T NC = 26 K at P = 2.1 GPa) were observed. The pressure behavior of the competing intra- and interchain magnetic interactions was analyzed on the basis of obtained structural data and their role in the formation of the magnetic phase diagram is discussed. Here, the pressure behavior of the Néel temperature of the commensurate AFM phase was evaluated within the mean field theory approach and a good agreement with the experimental value dT NC /dP = 0.65 K/GPa was obtained.

1-dimensional spin chains↗
DOE OSTI2017

Modification of the Surface of Nickel by the Femtosecond Laser Pulses

Experimental results of the formation of a periodic submicron structure on the surface of polycrystalline nickel (Ni) under laser irradiation in air and in a liquid medium (distilled water) are presented. The geometry of the formed surface structures is determined by electron-microscopy methods. When irradiated in air, the structure is formed above the base surface of the sample, and when irradiated in the liquid, it is formed below the base surface. The dimensions of the pure Ni nanoparticles formed during laser ablation of the nickel sample in the liquid were determined.

36 MATERIALS SCIENCE↗
DOE OSTI2023

pnnl/brain_ohsu

Light sheet microscopy has made possible the 3D imaging of both fixed and live biological tissue, with samples as large as the entire mouse brain. We fine-tuned an existing model, TrailMap, using expert labeled data from axonal structures in neocortex. Without changing the network architecture, we implemented nnU-Net framework modifications in data augmentation, data foreground sampling, window learning rate, and the inference overlap method. The resulting model from these combined approaches yielded an improved F1 score

Oostrom, Marjolein↗
DOE OSTI2025

Late-time growth weakly affects the significance of high-redshift massive galaxies

Recent observations by the James Webb Space Telescope have revealed massive galaxies at very high redshift ( z ≃ 7 − 15 ). The question of whether the existence of such galaxies is expected in the corresponding JWST surveys has received a lot of attention, though the answer straddles areas of cosmology and complex astrophysical details of high-redshift galaxy formation. The growth rate of density fluctuations determines the amplitude of overdensities that collapse to form galaxies. Late-time modifications of growth, combined with measurements at both z ∼ 1 from large-scale structure and z ∼ 1000 from the cosmic microwave background, affect the predictions for the abundance of first galaxies in the universe. In this paper, we point out that the late-time growth rate of structure affects the statistical significance of high-redshift, high-mass objects very weakly. Consequently, if the existence and abundance of these objects are confirmed to be unexpected, the variations in the late-time growth history are unlikely to explain these anomalies.

Xia, Qianran↗
NASA NTRS1973

Statistical identification of structures.

A method is formulated for systematically using experimental measurements of the natural frequencies and mode shapes of a structure to modify stiffness and mass characteristics of a finite element model. Throughout the modification process, which does not require complete data, the finite element model remains consistent. An additional feature is that the engineer's confidence in the modeling of the various finite elements is quantified and incorporated into the revision procedure. Examples demonstrate the convergence and versatility of the method.

Collins, J. D.↗
NASA NTRS1974

A 2.5 kW advanced technology ion thruster

A program has been conducted in order to improve the performance characteristics of 30 cm thrusters. This program was divided into three distinct, but related tasks: (1) the discharge chamber and component design modifications proposed for inclusion in the engineering model thruster were evaluated and engineering specifications were verified; (2) thrust losses which result from the contributions of double charged ions and nonaxial ion trajectories to the ion beam current were measured and (3) the specification and verification of power processor and control requirements of the engineering model thruster design were demonstrated. Proven design modifications which provide improved efficiencies are incorporated into the engineering model thruster during a structural re-design without introducing additional delay in schedule or new risks. In addition, a considerable amount of data is generated on the relation of double ion production and beam divergence to thruster parameters. Overall thruster efficiency is increased from 68% to 71% at full power, including corrections for double ion and beam divergence thrust losses.

Poeschel, R. L.↗
NASA NTRS1986

Description of the Mast Flight System

The Mast Flight System is composed of several subsystems. Primary among these is the Deployable Mast Subsystem (DMS) which consists of a beam assembly and an associated mechanism for deploying and retracting the beam. The beam assembly is a joint dominated graphite epoxy and titanium truss as is expected of future large space structures. Integral to the beam assembly are actuators, sensors and associated electronics which are available for excitation and damping as desired by the experimenter. The beam structural characteristics can also be modified as desired by the experimenter using the Parameter Modification Device installed at the end of the beam. Data measured on the beam by the sensors and commands to the actuators are transmitted along the beam digitally at 150 Hz using a standard 1553 type bus. The Modular Distributed Information Sybsystem (MDIS) computer functions as bus master and ensures that all experimental data is saved for future analysis. The MDIS computer also performs a safing function to prevent inadvertent overexcitation of the beam. Finally, the Excitation and Damping Subsystem (EDS) computer is available to the experimenter for implementation of control algorithms or any other numerical operations as desired. Data from all system sensors can be accessed by the EDS computer.

Talcott, Ronald C.↗
NASA NTRS1988

Analytical sensor redundancy assessment

The rationale and mechanization of sensor fault tolerance based on analytical redundancy principles are described. The concept involves the substitution of software procedures, such as an observer algorithm, to supplant additional hardware components. The observer synthesizes values of sensor states in lieu of their direct measurement. Such information can then be used, for example, to determine which of two disagreeing sensors is more correct, thus enhancing sensor fault survivability. Here a stability augmentation system is used as an example application, with required modifications being made to a quadruplex digital flight control system. The impact on software structure and the resultant revalidation effort are illustrated as well. Also, the use of an observer algorithm for wind gust filtering of the angle-of-attack sensor signal is presented.

Mulcare, D. B.↗