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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Signatures of Thermoreversible Associations in X-ray and Neutron Scattering from Dilute Polyzwitterion Solutions

In aqueous solutions of polyzwitterions (PZs), an interplay between dipole–dipole interactions and hydration of zwitterionic groups can lead to thermoreversible associations, which have been difficult to detect in experiments. Here, in this study, we investigated dilute aqueous solutions of poly(1-(3-sulphonatopropyl)-2-vinylpyridinium) (P2VPPS) using small-angle X-ray and neutron scattering (SAXS and SANS) to probe the structure and neutron spin-echo (NSE) spectroscopy to probe dynamics. The SAXS and SANS data show that the correlation length increases with an increase in the concentration of P2VPPS for three different molecular weights. The addition of 0.1 M NaCl to one of the solutions led to almost no dependence of the correlation length on the concentration. Such a concentration dependence of the correlation length suggests the formation of clusters driven by thermoreversible associations in the solutions. The NSE measurements show that the solutions with a larger correlation length display slower relaxation, reflecting the reduced mobility of larger clusters. These results should be considered as signatures of thermoreversible associations in the solutions of P2VPPS. To establish a quantitative link between local structure (clusters) and dynamics in dilute solutions of P2VPPS, we combined a thermoreversible gelation theory for the structure of PZ solutions (Li, S.-F.; Muthukumar, M. Theory of Thermoreversible Gelation and Anomalous Concentration Fluctuations in Polyzwitterion Solutions. J. Chem. Phys. 2024, 161, 024903) with a model for the dynamics of the clusters (generalized Zimm model), developed in this work. Using such a theoretical framework, we have predicted the distribution of clusters in the solutions probed with SANS and SAXS. With the distributions, the generalized Zimm model has been used to extract the diffusion constant of the clusters and their characteristic size from the NSE data, where the latter agrees with the values estimated from the SAXS/SANS data. These findings confirm the presence of thermoreversible associations and establish a quantitative link between local structure (clusters) and dynamics in dilute solutions of P2VPPS. Furthermore, with growing interest in technological applications, this work can provide useful insights into the structural and dynamical properties of other PZ solutions.

field theory↗
DOE OSTI2020

A Closer Look at Acyl-ACPs in Lipid Metabolism

Acyl lipids are a wide range of compounds that have diverse functions in membrane synthesis, energy storage, and signal transduction. Fatty acids are key building blocks of acyl lipids that are synthesized by the fatty acid synthase complex via sequential condensation of two-carbon units to reach lengths of up to 18 carbons (Li-Beisson et al., 2013). During this process, the elongating acyl chains are attached to Acyl Carrier Proteins (ACPs) through a phosphopantetheine group linked to a Ser residue of ACPs to form acyl-ACPs, which are central components in de novo fatty acid synthesis. However, the roles of acyl-ACPs in lipid metabolism are rarely studied due to a lack of methods to accurately quantify individual acyl-ACPs and their cargoes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

CODAS Data from Oliktok Point, Beaufort Sea, Alaska

Cryosphere/Ocean Distributed Acoustic Sensing (CODAS) data collected from the Beaufort Sea, Alaska, using ~37.4 km of dark telecommunications fiber located at Oliktok Point, Alaska. Data were collected with a Silixa iDAS, using 10 m gauge length, 2 m spatial resolution, and 1000 Hz sample rate. Provided here are the DAS-recorded time series for the rapid refreeze event described in Baker & Abbott (2022) (see link below). This covers a date range of 2021-11-10 15:00 UTC to 2021-11-11 17:00 UTC. Data have been decimated to 100 Hz and 20 m (i.e., every 10th channel for 1831 channels, total), as used in Baker & Abbott (2022). Data have been extracted from raw format into 1-hour long .sac* files and organized into directories by channel number, spanning channels 100 to 18400. Time series units are nano-strainrate (nm/m/s). For distribution, data have been compressed into .zip files containing all time series files for 100 channels. *For information on the Seismic Analysis Code (SAC) file format: https://seiscode.iris.washington.edu/projects/sac

16 TIDAL AND WAVE POWER↗
NASA NTRS1997

The Characteristics of Fatigue Damage in the Fuselage Riveted Lap Splice Joint

An extensive data base has been developed to form the physical basis for new analytical methodology to predict the onset of widespread fatigue damage in the fuselage lap splice joint. The results of detailed destructive examinations have been cataloged to describe the physical nature of MSD in the lap splice joint. ne catalog includes a detailed description, e.g., crack initiation, growth rates, size, location, and fracture morphology, of fatigue damage in the fuselage lap splice joint structure. Detailed examinations were conducted on a lap splice joint panel removed from a full scale fuselage test article after completing a 60,000 cycle pressure test. The panel contained a four bay region that exhibited visible outer skin cracks and regions of crack link-up along the upper rivet row. Destructive examinations revealed undetected fatigue damage in the outer skin, inner skin, and tear strap regions. Outer skin fatigue cracks were found to initiate by fretting damage along the faying surface. The cracks grew along the faying surface to a length equivalent to two to three skin thicknesses before penetrating the outboard surface of the outer skin. Analysis of fracture surface marker bands produced during full scale testing revealed that all upper rivet row fatigue cracks contained in a dim bay region grow at similar rates; this important result suggests that fracture mechanics based methods can be used to predict the growth of outer skin fatigue cracks in lap splice structure. Results are presented showing the affects of MSD and out-of-plane pressure loads on outer skin crack link-up.

Piascik, Robert S.↗
DOE OSTI2022

Solution characterization of the dynamic conjugative entry exclusion protein TraG

The R100 plasmid and the secretion system it encodes are representative of F-like conjugative type IV secretion systems for the transmission of mobile DNA elements in gram-negative bacteria, serving as a major contributor to the spread of antibiotic resistance in bacterial pathogens. The TraG protein of F-like systems consists of a membrane-bound N-terminal domain and a periplasmic C-terminal domain, denoted TraG*. TraG* is essential in preventing redundant DNA transfer through a process termed entry exclusion. In the donor cell, it interacts with TraN to facilitate mating pair stabilization; however, if a mating pore forms between bacteria with identical plasmids, TraG* interacts with its cognate TraS in the inner membrane of the recipient bacterium to prevent redundant donor–donor conjugation. Structural studies of TraG* from the R100 plasmid have revealed the presence of a dynamic region between the N- and C-terminal domains of TraG. Thermofluor, circular dichroism, collision-induced unfolding–mass spectrometry, and size exclusion chromatography linked to multiangle light scattering and small angle x-ray scattering experiments indicated an N-terminal truncation mutant displayed higher stability and less disordered content relative to full-length TraG*. The 45 N-terminal residues of TraG* are hypothesized to serve as part of a flexible linker between the two independently functioning domains.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

A scattering model for defoliated vegetation

A scattering model for defoliated vegetation is conceived as a layer of dielectric, finite-length cylinders with specified size and orientation distributions above an irregular ground surface. The scattering phase matrix of a single cylinder is computed, then the radiative transfer technique is applied to link volume scattering from vegetation to surface scattering from the soil surface. Polarized and depolarized scattering are computed and the effects of the cylinder size and orientation distributions are illustrated. It is found that size and orientation distributions have significant effects on the backscattered signal. The model is compared with scattering from defoliated trees and agricultural crops.

Karam, M. A.↗
NASA NTRS2017

Validation Testing of a Peridynamic Impact Damage Model Using NASA's Micro-Particle Gun

Through a collaborative effort between the Virginia Commonwealth University and Raytheon, a peridynamic model for sand impact damage has been developed1-3. Model development has focused on simulating impacts of sand particles on ZnS traveling at velocities consistent with aircraft take-off and landing speeds. The model reproduces common features of impact damage including pit and radial cracks, and, under some conditions, lateral cracks. This study focuses on a preliminary validation exercise in which simulation results from the peridynamic model are compared to a limited experimental data set generated by NASA's recently developed micro-particle gun (MPG). The MPG facility measures the dimensions and incoming and rebound velocities of the impact particles. It also links each particle to a specific impact site and its associated damage. In this validation exercise parameters of the peridynamic model are adjusted to fit the experimentally observed pit diameter, average length of radial cracks and rebound velocities for 4 impacts of 300 μm glass beads on ZnS. Results indicate that a reasonable fit of these impact characteristics can be obtained by suitable adjustment of the peridynamic input parameters, demonstrating that the MPG can be used effectively as a validation tool for impact modeling and that the peridynamic sand impact model described herein possesses not only a qualitative but also a quantitative ability to simulate sand impact events.

Baber, Forrest E.↗
NASA NTRS2008

Advanced Precipitation Radar Antenna to Measure Rainfall From Space

To support NASA s planned 20-year mission to provide sustained global precipitation measurement (EOS-9 Global Precipitation Measurement (GPM)), a deployable antenna has been explored with an inflatable thin-membrane structure. This design uses a 5.3 5.3-m inflatable parabolic reflector with the electronically scanned, dual-frequency phased array feeds to provide improved rainfall measurements at 2.0-km horizontal resolution over a cross-track scan range of up to 37 , necessary for resolving intense, isolated storm cells and for reducing the beam-filling and spatial sampling errors. The two matched radar beams at the two frequencies (Ku and Ka bands) will allow unambiguous retrieval of the parameters in raindrop size distribution. The antenna is inflatable, using rigidizable booms, deployable chain-link supports with prescribed curvatures, a smooth, thin-membrane reflecting surface, and an offset feed technique to achieve the precision surface tolerance (0.2 mm RMS) for meeting the low-sidelobe requirement. The cylindrical parabolic offset-feed reflector augmented with two linear phased array feeds achieves dual-frequency shared-aperture with wide-angle beam scanning and very low sidelobe level of -30 dB. Very long Ku and Ka band microstrip feed arrays incorporating a combination of parallel and series power divider lines with cosine-over-pedestal distribution also augment the sidelobe level and beam scan. This design reduces antenna mass and launch vehicle stowage volume. The Ku and Ka band feed arrays are needed to achieve the required cross-track beam scanning. To demonstrate the inflatable cylindrical reflector with two linear polarizations (V and H), and two beam directions (0deg and 30deg), each frequency band has four individual microstrip array designs. The Ku-band array has a total of 166x2 elements and the Ka-band has 166x4 elements with both bands having element spacing about 0.65 lambda(sub 0). The cylindrical reflector with offset linear array feeds reduces the complexity from "NxN" transmit/receive (T/R) modules of a conventional planar-phased array to just "N" T/R modules. The antenna uses T/R modules with electronic phase-shifters for beam steering. The offset reflector does not provide poor cross-polarization like a double- curved offset reflector would, and it allows the wide scan angle in one plane required by the mission. Also, the cylindrical reflector with two linear array feeds provides dual-frequency performance with a single, shared aperture. The aperture comprises a reflective surface with a focal length of 1.89 m and is made from aluminized Kapton film. The reflective surface is of uniform thickness in the range of a few thousandths of an inch and is attached to the chain-link support structure via an adjustable suspension system. The film aperture rolls up, together with the chain-link structure, for launch and can be deployed in space by the deployment of the chain-link structure.

Rahmat-Samii, Yahya↗
DOE OSTI2022

Influence of carrier trapping on radiation detection properties in $\mathrm{CVD}$ grown 4H-SiC epitaxial layers with varying thickness up to 250 µm

We report low doped n-type 4H-SiC epitaxial layers of thickness 50, 150, and 250 µm grown by hot wall chemical vapor deposition were used to fabricate Ni/4H-SiC Schottky radiation detectors. The epitaxial layers were grown on the (0001) face of highly conductive bulk 4H-SiC substrates 8° offcut towards the $\langle 11\bar{2}1\rangle$ direction. The 50, 150, and 250 µm thick epilayer detectors, under optimized settings, showed energy resolutions of 2.0%, 0.78%, and 0.63%, respectively for 5.48 MeV alpha particles. Deep level transient spectroscopy studies showed that the observed variation in the detector resolution is linked to the defect parameters in the devices. Least-squares fitting of the bias dependence of the charge collection efficiency according to a drift-diffusion model, revealed minority carrier diffusion lengths of 16, 10, and 9.2 µm, respectively, implying that the detectors are not limited by minority carrier trapping. The detector performance was observed to be primarily dependent on the concentration and capture cross-sections of the lifetime killing electron traps Z 1/2 and EH 6/7 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Deciphering the Solvation Structure of Aqueous ZnCl 2 Solutions from X-ray Absorption Spectra Using the Interpretable Graph Neural Network

Machine learning (ML) provides powerful pathways for predicting spectroscopic observables from atomic structures, but its broader impact depends on making model predictions interpretable in terms of physical and chemical principles. Here, we introduce a physics-guided graph neural network (GNN) model that predicts Zn K-edge X-ray spectroscopy (XAS) spectra of aqueous ZnCl 2 solutions. Training data are generated from ab initio XAS calculations on molecular dynamics snapshots obtained using a machine learning interatomic potential. The GNN reproduces experimental spectra across concentrations from dilute (<0.1 m) to highly concentrated (30 m, “water-in-salt”) regimes and scales efficiently to large, disordered liquid systems beyond the reach of conventional ab initio approaches. Gradient-based attribution analysis reveals that the model learns physically meaningful structure-spectrum relationships. Ligand-specific attributions reflect orbital hybridization patterns and the origin of the excitations derived from the density functional theory. Bond-length attributions recover spectral shifts consistent with multiple-scattering theory. Finally, this work bridges data-driven prediction with electronic-structure theory, establishing a general paradigm for interpretable ML that links atomic structure, electronic structure, and spectroscopic observables.

25 ENERGY STORAGE↗
DOE OSTI2022

Probing charge density in materials with atomic resolution in real space

The charge distribution in materials at the nanoscale can often explain the origin of macroscopic properties such as localized conductivity or the plasmonic response and illuminate more fundamental changes in the microscopic structure such as changes in chemical bonding characteristics. Previously, direct visualization of the charge density with high spatial resolution was often a missing link in the formation of structure–property relationships, especially in heterogeneous materials systems. Furthermore, recent advancements in microscopy technology have enabled researchers to visualize the charge distribution in materials down to subatomic length scales. In this Technical Review, we discuss the developments in high-resolution real-space charge distribution imaging using diffraction techniques and electron microscopy, with a focus on the recent advancement of four-dimensional scanning transmission electron microscopy, electron holography, and applications to materials interfaces.

Electronic properties and materials↗
NASA NTRS1985

Sequentially deployable maneuverable tetrahedral beam

A tetrahedral beam that can be compactly stowed, sequentially deployed, and widely manipulated to provide a structurally sound yet highly maneuverable truss structure is comprised of a number of repeating units of tandem tetralhedral sharing common sides. Fixed length battens are jointed into equilateral triangles called batten frames. Apexes of adjacent triangles are interconnected by longerons having a mid-point folding hinge. Joints, comprised of gussets pivotabley connected by links, permit two independent degrees of rotational freedom between joined adjacent batten frames, and provide a stable structure from packaged configuration to complete deployment. The longerons and joints can be actuated in any sequence, independently of one another. The beam is suited to remote actuation. Longerons may be provided with powered mid-point hinges enabling beam erection and packaging under remote control. Providing one or more longerons with powered telescoping segments permits the shape of the beam central axis to be remotely manipulated so that the beam may function as a remote manipulator arm.

Mikulas, M. M., Jr.↗
DOE OSTI2021

Structure and Interdigitation of Chain-Asymmetric Phosphatidylcholines and Milk Sphingomyelin in the Fluid Phase

We addressed the frequent occurrence of mixed-chain lipids in biological membranes and their impact on membrane structure by studying several chain-asymmetric phosphatidylcholines and the highly asymmetric milk sphingomyelin. Specifically, we report trans-membrane structures of the corresponding fluid lamellar phases using small-angle X-ray and neutron scattering, which were jointly analyzed in terms of a membrane composition-specific model, including a headgroup hydration shell. Focusing on terminal methyl groups at the bilayer center, we found a linear relation between hydrocarbon chain length mismatch and the methyl-overlap for phosphatidylcholines, and a non-negligible impact of the glycerol backbone-tilting, letting the sn1-chain penetrate deeper into the opposing leaflet by half a CH 2 group. That is, penetration-depth differences due to the ester-linked hydrocarbons at the glycerol backbone, previously reported for gel phase structures, also extend to the more relevant physiological fluid phase, but are significantly reduced. Moreover, milk sphingomyelin was found to follow the same linear relationship suggesting a similar tilt of the sphingosine backbone. Complementarily performed molecular dynamics simulations revealed that there is always a part of the lipid tails bending back, even if there is a high interdigitation with the opposing chains. The extent of this back-bending was similar to that in chain symmetric bilayers. For both cases of adaptation to chain length mismatch, chain-asymmetry has a large impact on hydrocarbon chain ordering, inducing disorder in the longer of the two hydrocarbons.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1980

Effects of gravitational stress, hypokinesia and hypodynamia on the structure of the vascular bed of the spleen

The effects of two extreme factors, hypokinesia and hypodynamia, on spleen vascular beds were studied on 180 male and female albino rats. Vessels were studied by roentgenography, microroentgenography, clearing of sections and histology. Gravity stress yielded construction of all links of arterial bed and of order 5-7 veins. Large intraorganic vein diameters changed significantly but erratically. Hypokinesia in early phases produced pronounced spleen size reduction. Veins and arteries constricted along entire length. Later hypokinetic stages showed arteries still constricted; veins began to dilate from week 4 of hypokinesia. Sinuosity, uneven contours and varicose dilations of walls in large arteries and veins occurred. Abrupt changes in parenchyma, e.g., atrophy of folliculi, narrowing of lumen of central arteries from thickening of muscular wall. After exposure to hypokinesia followed by gravitational stress, pronounced lesions such as deformation of vascular wall, including rupture, in all vessels of the spleen vascular bed.

Nesterenko, N. T.↗
NASA NTRS1998

Monte Carlo Simulation of Endlinking Oligomers

This report describes initial efforts to model the endlinking reaction of phenylethynyl-terminated oligomers. Several different molecular weights were simulated using the Bond Fluctuation Monte Carlo technique on a 20 x 20 x 20 unit lattice with periodic boundary conditions. After a monodisperse "melt" was equilibrated, chain ends were linked whenever they came within the allowed bond distance. Ends remained reactive throughout, so that multiple links were permitted. Even under these very liberal crosslinking assumptions, geometrical factors limited the degree of crosslinking. Average crosslink functionalities were 2.3 to 2.6; surprisingly, they did not depend strongly on the chain length. These results agreed well with the degrees of crosslinking inferred from experiment in a cured phenylethynyl-terminated polyimide oligomer.

Hinkley, Jeffrey A.↗
DOE OSTI2024

Population‐level gene expression can repeatedly link genes to functions in maize

SUMMARY Transcriptome‐wide association studies (TWAS) can provide single gene resolution for candidate genes in plants, complementing genome‐wide association studies (GWAS) but efforts in plants have been met with, at best, mixed success. We generated expression data from 693 maize genotypes, measured in a common field experiment, sampled over a 2‐h period to minimize diurnal and environmental effects, using full‐length RNA‐seq to maximize the accurate estimation of transcript abundance. TWAS could identify roughly 10 times as many genes likely to play a role in flowering time regulation as GWAS conducted data from the same experiment. TWAS using mature leaf tissue identified known true‐positive flowering time genes known to act in the shoot apical meristem, and trait data from a new environment enabled the identification of additional flowering time genes without the need for new expression data. eQTL analysis of TWAS‐tagged genes identified at least one additional known maize flowering time gene through trans ‐eQTL interactions. Collectively these results suggest the gene expression resource described here can link genes to functions across different plant phenotypes expressed in a range of tissues and scored in different experiments.

Torres‐Rodríguez, J. Vladimir↗
DOE OSTI2020

Covalently Linked, Two-Dimensional Quantum Dot Assemblies

Using nanoscale building blocks to construct hierarchical materials is a radical new branch point in materials discovery that promises new structures and emergent functionality. Understanding the design principles that govern nanoparticle assembly is critical to moving this field forward. By exploiting mixed ligand environments to target patchy nanoparticle surfaces, we have demonstrated a novel method of colloidal quantum dot (QD) assembly that gives rise to 2D structures. The equilibration of solutions of spherical and quasispherical QDs, including CdS, CdSe, and InP, with 2,2'-bipyridine-5,5'-diacrylic acid resulted in the preferential formation of 2D assemblies over the course of days as determined by transmission electron microscopy analysis. Small-angle X-ray scattering confirms the existence of the QD assemblies in solution. The dependence of the assembly on linker properties (length and rigidity), linker concentration, and total concentration was investigated, together with the data point to a mechanism involving ligand redistribution to create a patchy surface that maximizes the steric repulsion of neighboring QDs. By operating in an underexchanged regime, the arising patchiness results in enthalpically preferred directions of cross-linking that can be accessed by thermal equilibration.

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

Polyethylene Incorporating Diels–Alder Comonomers: A “Trojan Horse” Strategy for Chemically Recyclable Polyolefins

Abstract Polyolefins with periodic unsaturation in the backbone chain are sought after for synthesizing chemically recyclable polymers or telechelic polyolefin macromonomers. Here we introduce a bottom‐up synthesis of unsaturated high‐density polyethylene (HDPE) via copolymerization of ethylene with dimethyl 7‐oxabicyclo[2.2.1]hepta‐2,5‐diene‐3,5‐dicarboxylate followed by post‐polymerization retro‐Diels–Alder to unveil hidden double bonds in the polymer backbone. The incorporation of this “Trojan Horse” comonomer was varied and a series of unsaturated HDPE polymers with block lengths of 1.2, 1.9, and 3.5 kDa between double bonds was synthesized. Cross metathesis of unsaturated HDPE samples with 2‐hydroxyethyl acrylate yielded telechelic ester terminated PE macromonomers suitable for the preparation of ester‐linked PE. These materials were depolymerized and repolymerized, making them suitable candidates for chemical recycling. The ester‐linked PE displayed thermal and mechanical properties comparable to commercial HDPE.

Parke, Sarah M.↗