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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Randomly Layered Superstructure of In 2 O 3 Truncated Nano-Octahedra and Its High-Pressure Behavior

This study outlines the synthesis and characterization of a unique superlattice composed of vertex-truncated indium oxide (In 2 O 3 ) nano-octahedra, along with an exploration of its response to high-pressure conditions. Here, using a bright-field transmission electron microscope (BF-TEM), we determined an average circumradius of 15.2 nm for these octahedral building blocks. The resilience and response of the superlattice to pressure variations, peaking at 18.01 GPa, were examined by employing synchrotron-based Wide-Angle X-ray Scattering (WAXS) and Small-Angle X-ray Scattering (SAXS) techniques. The WAXS data revealed no phase transitions, reinforcing the stability of the 2D superlattice comprised of random layers in alignment with a 2D p31m symmetry. Notably, the SAXS data unveiled a pressure-induced, irreversible octahedron translation and ligand interaction occurring within the random layer. Through our examination of these pressure-sensitive behaviors, we identified a distinctive translation model inherent to octahedra and observed modulation in the superlattice cell parameter induced by pressure. This research signifies a noteworthy progression in deciphering the intricate behaviors of 2D superlattices under high-pressure conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures

Coulombic interactions can be used to assemble charged nanoparticles into higher-order structures, but the process requires oppositely charged partners that are similarly sized. The ability to mediate the assembly of such charged nanoparticles using structurally simple small molecules would greatly facilitate the fabrication of nanostructured materials and harnessing their applications in catalysis, sensing and photonics. Here we show that small molecules with as few as three electric charges can effectively induce attractive interactions between oppositely charged nanoparticles in water. These interactions can guide the assembly of charged nanoparticles into colloidal crystals of a quality previously only thought to result from their co-crystallization with oppositely charged nanoparticles of a similar size. Transient nanoparticle assemblies can be generated using positively charged nanoparticles and multiply charged anions that are enzymatically hydrolysed into mono- and/or dianions. Overall, our findings demonstrate an approach for the facile fabrication, manipulation and further investigation of static and dynamic nanostructured materials in aqueous environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The gravitational lensing imprints of DES Y3 superstructures on the CMB: a matched filtering approach

Low-density cosmic voids gravitationally lens the cosmic microwave background (CMB), leaving a negative imprint on the CMB convergence |$\kappa$|⁠. This effect provides insight into the distribution of matter within voids, and can also be used to study the growth of structure. We measure this lensing imprint by cross-correlating the Planck CMB lensing convergence map with voids identified in the Dark Energy Survey Year 3 (DES Y3) data set, covering approximately 4200 deg|$^2$| of the sky. We use two distinct void-finding algorithms: a 2D void-finder that operates on the projected galaxy density field in thin redshift shells, and a new code, Voxel, which operates on the full 3D map of galaxy positions. We employ an optimal matched filtering method for cross-correlation, using the Marenostrum Institut de Ciències de l’Espai N-body simulation both to establish the template for the matched filter and to calibrate detection significances. Using the DES Y3 photometric luminous red galaxy sample, we measure |$A_\kappa$|⁠, the amplitude of the observed lensing signal relative to the simulation template, obtaining |$A_\kappa = 1.03 \pm 0.22$| (⁠|$4.6\sigma$| significance) for Voxel and |$A_\kappa = 1.02 \pm 0.17$| (⁠|$5.9\sigma$| significance) for 2D voids, both consistent with Lambda cold dark matter expectations. We additionally invert the 2D void-finding process to identify superclusters in the projected density field, for which we measure |$A_\kappa = 0.87 \pm 0.15$| (⁠|$5.9\sigma$| significance). The leading source of noise in our measurements is Planck noise, implying that data from the Atacama Cosmology Telescope, South Pole Telescope and CMB-S4 will increase sensitivity and allow for more precise measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

General Approach to Solving Spin Moiré Superstructures

Recently, a host of exciting magnetic textures such as topologically protected skyrmion lattices has been discovered in several bulk metallic lanthanide compounds. In addition to hosting skyrmion phases, a hallmark of this class of materials is the appearance of numerous spin textures characterized by superposition of multiple magnetic modulations: spin moiré superlattices. In order to understand the multitude of complex phases often present in these materials, we require a general-purpose experimental and theoretical framework. Here, we demonstrate such an approach in EuAg4⁢Sb2 by comprehensively characterizing and modeling its three complex zero-field magnetic textures. Systematic symmetry-breaking experiments using uniaxial strain determine that the ground-state incommensurate magnetic phase (ICM1) is single 𝑞, meaning the magnetic moments modulate along one magnetic propagation vector. In contrast, ICM2 and ICM3 are both double 𝑞, meaning they are formed from the superposition of two sinusoidal spin modulations, i.e., spin moiré superlattices. Further, through application of polarized small-angle neutron scattering and spherical neutron polarimetry, we demonstrate that ICM1 is a single-𝑞 cycloid and ICM2 and ICM3 are double-𝑞 vortex lattices. Despite the quasi-two-dimensional nature of EuAg4⁢Sb2, the modulations propagate out of the ab plane, leading to a shift of the spin texture between triangular lattice planes. Further, the ICM3 to ICM2 transition includes an unusual 45° rotation of the magnetic vortex lattice. Motivated by the coexistence of such drastically different phases in this compound, we conclude by developing a phenomenological model that sheds light on the energetic origins of these varied phases. Our experimental probes and theoretical modeling definitively characterize three different and tunable phases in one material and provide insight for the design of topological spin-texture materials.

Neves, Paul [Massachusetts Institute of Technology↗
DOE OSTI2022

Shape-induced superstructure formation in concentrated ferrofluids under applied magnetic fields

The field-induced ordering of concentrated ferrofluids based on spherical and cuboidal maghemite nanoparticles is studied using small-angle neutron scattering, revealing a qualitative effect of the faceted shape on the interparticle interactions as shown in the structure factor and correlation lengths. Whereas a spatially disordered hard-sphere interaction potential with a short correlation length is found for ~9 nm spherical nanoparticles, nanocubes of a comparable particle size exhibit a more pronounced interparticle interaction and the formation of linear arrangements. Analysis of the anisotropic two-dimensional pair distance correlation function gives insight into the real-space arrangement of the nanoparticles. On the basis of the short interparticle distances found here, oriented attachment, i.e. a face-to-face arrangement of the nanocubes, is likely. The unusual field dependence of the interparticle correlations suggests a field-induced structural rearrangement.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optimal Membrane Cascade Design for Critical Mineral Recovery Through Logic-based Superstructure Optimization

Critical minerals and rare earth elements play an important role in our climate change initiatives, particularly in applications related with energy storage. Here, we use discrete optimization approaches to design a process for the recovery of Lithium and Cobalt from battery recycling, through membrane separation. Our contribution involves proposing a Generalized Disjunctive Programming (GDP) model for the optimal design of a multistage diafiltration cascade for Li-Co separation. By solving the resulting nonconvex mixed-integer nonlinear program model to global optimality, we investigated scalability and solution quality variations with changes in the number of stages and elements per stage. Results demonstrate the computational tractability of the nonlinear GDP formulation for design of membrane separation processes while opening the door for decom-position strategies for multicomponent separation cascades. Future work aims to extend the GDP formulation to account for stage installation and explore various decomposition techniques to enhance solution efficiency.

Ovalle, Daniel↗
NASA NTRS1985

Superstructures and multijunction cells for high efficiency energy conversion

Potential applications of superlattices to photovoltaic structures are discussed. A single-bandgap, multijunction cell with selective electrodes for lateral transport of collected carriers is proposed. The concept is based on similar doping superlattice (NIPI) structures. Computer simulations show that by reducing bulk recombination losses, the spectral response of such cells is enhanced, particularly for poor quality materials with short diffusion lengths. Dark current contributions of additional junctions result in a trade-off between short-circuit current and open-circuit voltage as the number of layers is increased. One or two extra junctions appear to be optimal.

Wagner, M.↗
NASA NTRS2014

Nondestructive Evaluation Techniques for Development and Characterization of Carbon Nanotube Based Superstructures

Recently, multiple commercial vendors have developed capability for the production of large-scale quantities of high-quality carbon nanotube sheets and yarns. While the materials have found use in electrical shielding applications, development of structural systems composed of a high volume fraction of carbon nanotubes is still lacking. A recent NASA program seeks to address this by prototyping a structural nanotube composite with strength-toweight ratio exceeding current state-of-the-art carbon fiber composites. Commercially available carbon nanotube sheets, tapes, and yarns are being processed into high volume fraction carbon nanotube-polymer nanocomposites. Nondestructive evaluation techniques have been applied throughout this development effort for material characterization and process control. This paper will report on the progress of these efforts, including magnetic characterization of residual catalyst content, Raman scattering characterization of nanotube diameter, defect ratio, and nanotube strain, and polarized Raman scattering for characterization of nanotube alignment.

Wincheski, Buzz↗
NASA NTRS2004

Modifying Ship Air-Wake Vortices for Aircraft Operations

Columnar-vortex generators (CVG) have been proposed as means to increase the safety of takeoffs and landings of aircraft on aircraft or helicopter carriers and other ships at sea. According to the proposal, CVGs would be installed at critical edge locations on ships to modify the vortices in the air wakes of the ships. The desired effects of modifications are to smooth airflows over takeoff and landing deck areas and divert vortices from takeoff and landing flight paths. With respect to aircraft operations, the wake flows of primary interest are those associated with the bow and side edges of aircraft-carrier decks and with superstructures of ships in general (see Figure 1). The bow and deck-edge vortices can adversely affect airplane and helicopter operations on carriers, while the superstructure wakes can primarily affect operations of helicopters. The concept of the CVG is not new; what is new is the proposed addition of CVGs to ship structures to effect favorable modifications of air wakes. Figure 2 depicts a basic CVG, vertical and horizontal CVGs installed on a simple superstructure, and horizontal CVGs installed on the bow and deck edges. The vertical CVGs would be closed at the deck but open at the top. Each horizontal CVG would be open at both ends. The dimensions of the CVGs installed on the aft edges of the superstructure would be chosen so that the portion of the flow modified by the vertical CVGs would interact synergistically with the portion of the flow modified by the horizontal CVG to move the air wake away from the takeoff-and-landing zone behind the superstructure. The deck-edge CVGs would be mounted flush with, and would extend slightly ahead of the bow of, the flight deck. The overall length of each tube would exceed that of the flight deck. Each deck-edge CVG would capture that portion of the airflow that generates a deck-edge vortex and would generate a columnar vortex of opposite sense to that of the unmodified vortex. The vortex generated by the CVG could be dispersed at its base, thereby removing unwanted turbulence in the path of an approaching airplane. The deck-edge CVGs would promote smooth flow over the entire flight deck. In the case of a Nimitz-class aircraft carrier like that of Figure 1, there would be a CVG on each of the outer edges of the two left portions of the flight deck and a single CVG on the right side of the flight deck. The forward-most CVG on the left side would take the generated vortex underneath the angled flight deck. A CVG could also be installed on the bow of the flight deck to smooth the flow of air onto the flight deck. In the case of wind incident on the deck from an azimuth other than straight ahead, the vortex generated by the bow CVG could, perhaps, be used to feed the CVG(s) of the leeward side edge of the flight deck.

Lamar, John E.↗
DOE OSTI2026

Valence-free open nanoparticle superlattices

A cornerstone of advanced materials design is establishing a framework for assembling nanoparticle superstructures with tailored symmetries. A longstanding challenge has been assembling diamond-like superstructures for photonic devices. Traditionally, such open superstructures require functionalized nanoparticles with directional or anisotropic interactions, reminiscent of valence bonding in a diamond. Here, we present a robust strategy for assembling valence-free nanoparticles into a broad array of cubic superstructures. By grafting nanoparticles with oppositely charged, end-functionalized water-soluble polymers of adjustable molecular weight, we gain control over electrostatic interactions and conformational constraints. This unified approach yields lattices analogous to rock salt, CsCl, zinc-blende, diamond, and the rare simple cubic phase, with tunable lattice constants. Theoretical models and simulations elucidate the underlying interactions, providing a framework for engineering valence-free nanoparticle superlattices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling Interactions within and between Peptide Amphiphile Supramolecular Filaments

Many peptides are able to self-assemble into one-dimensional (1D) nanostructures, such as cylindrical fibers or ribbons of variable widths, but the relationship between the morphology of 1D objects and their molecular structure is not well understood. Here, we use coarse-grained molecular dynamics (CG-MD) simulations to study the nanostructures formed by self-assembly of different peptide amphiphiles (PAs). The results show that ribbons are hierarchical superstructures formed by laterally assembled cylindrical fibers. Simulations starting from bilayer structures demonstrate the formation of filaments, whereas other simulations starting from filaments indicate varying degrees of interaction among them depending on chemical structure. These interactions are verified by observations using atomic force microscopy of the various systems. The interfilament interactions are predicted to be strongest in supramolecular assemblies that display hydrophilic groups on their surfaces, while those with hydrophobic ones are predicted to interact more weakly as confirmed by viscosity measurements. The simulations also suggest that peptide amphiphiles with hydrophobic termini bend to reduce their interfacial energy with water, which may explain why these systems do not collapse into superstructures of bundled filaments. The simulations suggest that future experiments will need to address mechanistic questions about the self-assembly of these systems into hierarchical structures, namely, the preformation of interactive filaments vs equilibration of large assemblies into superstructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗