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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals

We propose and describe a framework to understand the structure of supramolecular network crystals formed in soft matter in terms of mesoatomic building blocks, collective groupings of amphiphilic molecules that play a role analogous to atomic or molecular subunits of hard matter crystals. While the concept of mesoatoms is intuitive and widely invoked in crystalline arrangements of spherelike or cylinderlike (micellelike) domains, analogous notions of natural and physically meaningful building blocks of triply periodic network (TPN) crystals, like the double-gyroid or double-diamond structures are obscured by the complex, bicontinuous domain shapes and intercatenated topologies of the double networks. Focusing on the specific example of diblock copolymer melts, we propose generic rules for decomposing TPN crystals into a unique set of mesoatomic building blocks. Based on physically motivated principles, the combination of symmetries and topologies of these structures point to mesoatomic elements associated with the nodal connections, leading to mesoatomic volumes that are nonconvex and bound by smoothly curved faces, unlike the more familiar Voronoi polyhedral shapes associated with spherelike and cylinderlike mesoatoms. We analyze the shapes of these mesoatoms, their internal structure, and importantly, their local packing with neighbor mesoatomic units. Importantly, we hypothesize that mesoatoms are kinetically favored intermediate structures whose local shapes and packing template network crystal assembly on long time scales. We propose and study a minimal energetic model of mesoatom assembly for three different cubic double-network crystals, based on local shape packing, which predicts a detailed picture for kinetics of intercatenation and surface growth. Based on these analyses, we discuss several possible extensions and elaborations of the mesoatomic description of supramolecular soft matter network crystals, most notably the implications of mesoatomic malleability, a feature that distinguishes soft matter from hard matter crystals. We describe experimental observations of malleable mesoatomic units in the precursor sponge phase as well as in ordered cubic networks and suggest possibilities for observing mesoatoms in primordial, precrystalline states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2008

Geologic Mapping of the V-36 Thetis Regio Quadrangle: 2008 Progress Report

As a result of mapping, eleven material stratigraphic units and three structural units have been identified and mapped. The material units include (from older to younger): tessera terrain material (tt), material of densely fractured plains (pdf), material of fractured and ridged plains (pfr), material of shield plains (psh), material of plains with wrinkle ridges (pwr), material of smooth plains of intermediate brightness (psi), material of radardark smooth plains (psd), material of lineated plains (pli) material of lobate plains (plo), material of craters having no radar-dark haloes (c1), and material of craters having clear dark haloes (c2). The morphologies and probably the nature of the material units in the study area are generally similar to those observed in other regions of Venus [2]. The youngest units are lobate plains (plo) which here typically look less lobate than in other areas of the planet. Close to them in age are smooth plains which are indeed smooth and represented by two varieties mentioned above. Lineated plains (pli) are densely fractured in a geometrically regular way. Plains with wrinkle ridges, being morphologically similar to those observed in other regions, here occupy unusually small areas. Shield (psh) plains here are also not abundant. Locally they show wrinkle ridging. Fractured and ridged plains (pfr), which form in other regions, the so called ridge belts, are observed as isolated areas of clusters of ridged plains surrounded by other units. Densely fractured plains (pdf) are present in relatively small areas in association with coronae and corona-like features. Tessera terrain (tt) is dissected by structures oriented in two or more directions. Structures are so densely packed that the morphology (and thus nature) of the precursor terrain is not known. Structural units include tessera transitional terrain (ttt), fracture belts (fb) and rifted terrain (rt). Tessera transitional terrain was first identified and mapped by [4] as areas of fractured and ridged plains (pfr) and densely fractured plains (pdf) deformed by transverse faults that made it formally resemble tessera terrain (tt). The obvious difference between units tt and ttt is the recognizable morphology of precursor terrain of unit ttt. Fracture belts are probably ancient rift zones [3]. Rifted terrain (rt), as in other regions of Venus, is so saturated with faults that according to the recommendation of [1, 5] it should be mapped as a structural unit.

Basilevsky, A. T.↗
DOE OSTI2021

Resonant Tender X-ray Diffraction for Disclosing the Molecular Packing of Paracrystalline Conjugated Polymer Films

The performance of optoelectronic devices based on conjugated polymers is critically dependent upon molecular packing; however, the paracrystalline nature of these materials limits the amount of information that can be extracted from conventional X-ray diffraction. Resonant diffraction (also known as anomalous diffraction) occurs when the X-ray energy used coincides with an X-ray absorption edge in one of the constituent elements in the sample. The rapid changes in diffraction intensity that occur as the X-ray energy is varied across an absorption edge provide additional information that is lost in a conventional nonresonant experiment. Taking advantage of the fact that many conjugated polymers contain sulfur as heteroatoms, here we reveal pronounced resonant diffraction effects at the sulfur K-edge with a particular focus on the well-studied electron transporting polymer poly([N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)), P(NDI2OD-T2). The observed behavior is found to be consistent with the theory of resonant diffraction, and by simulating the energy-dependent peak intensity based on proposed crystal structures for P(NDI2OD-T2), we find that resonant diffraction can discriminate between different crystalline packing structures. The utilization of resonant diffraction opens up a new way to unlock important microstructural information about conjugated polymers for which only a handful of diffraction peaks are typically available.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural organization of the spongy mesophyll

Summary Many plant leaves have two layers of photosynthetic tissue: the palisade and spongy mesophyll. Whereas palisade mesophyll consists of tightly packed columnar cells, the structure of spongy mesophyll is not well characterized and often treated as a random assemblage of irregularly shaped cells. Using micro‐computed tomography imaging, topological analysis, and a comparative physiological framework, we examined the structure of the spongy mesophyll in 40 species from 30 genera with laminar leaves and reticulate venation. A spectrum of spongy mesophyll diversity encompassed two dominant phenotypes: first, an ordered, honeycomblike tissue structure that emerged from the spatial coordination of multilobed cells, conforming to the physical principles of Euler’s law; and second, a less‐ordered, isotropic network of cells. Phenotypic variation was associated with transitions in cell size, cell packing density, mesophyll surface‐area‐to‐volume ratio, vein density, and maximum photosynthetic rate. These results show that simple principles may govern the organization and scaling of the spongy mesophyll in many plants and demonstrate the presence of structural patterns associated with leaf function. This improved understanding of mesophyll anatomy provides new opportunities for spatially explicit analyses of leaf development, physiology, and biomechanics.

3D↗
NASA NTRS2017

Design of Multifunctional Hierarchical Space Structures

We describe a system for the design of space structures with tunable structural properties based on the discrete assembly of modular lattice elements. These lattice elements can be constructed into larger beam-like elements, which can then be assembled into large scale truss structures. These discrete lattice elements are reversibly assembled with mechanical fasteners, which allows them to be arbitrarily reconfigured into various application-specific designs. In order to assess the validity of this approach, we design two space structures with similar geometry but widely different structural requirements: an aerobrake, driven by strength requirements, and a precision segmented reflector, driven by stiffness and accuracy requirements. We will show agreement between simplified numerical models based on hierarchical assembly and analytical solutions. We will also present an assessment of the error budget resulting from the assembly of discrete structures. Lastly, we will address launch vehicle packing efficiency issues for transporting these structures to lower earth orbit.

Aeronautics↗
NASA NTRS2014

Bigelow Expandable Activity Module (BEAM) - ISS Inflatable Module Technology Demonstration

INNOVATION: BEAM is a pathway project demonstrating the design, fabrication, test, certification, integration, operation, on‐orbit performance, and disposal of the first ever man‐rated space inflatable structure. The groundwork laid through the BEAM project will support developing and launching a larger inflatable space structure with even greater mass per volume (M/V) advantages need for longer space missions. OVERVIEW: Inflatable structures have been shown to have much lower mass per volume ratios (M/V) when compared with conventional space structures. BEAM is an expandable structure, launched in a packed state, and then expanded once on orbit. It is a temporary experimental module to be used for gathering structural, thermal, and radiation data while on orbit. BEAM will be launched on Space X‐8, be extracted from the dragon trunk, and will attach to ISS at Node 3‐ Aft. BEAM performance will be monitored over a two‐year period and then BEAM will be jettison using the SSRMS.

Dasgupta, Rajib↗
DOE OSTI2024

Leveraging Structures in Fault Diagnosis for Lithium-Ion Battery Packs

Lithium-ion battery systems consist of a varying number of single cells, designed to meet specific application requirements for output voltage and capacity. Effective fault diagnosis in these battery systems is an essential prerequisite for ensuring their safe and reliable operation. To address this need, we introduce a novel model-based fault diagnosis approach that distinguishes itself by leveraging informative structures inherent in battery systems such as architecture, uniformity among the constituent cells, and sparsity of fault occurrences to enhance its fault diagnosis capabilities. The proposed approach formulates a moving horizon estimation (MHE) problem, incorporating such structural information to estimate different fault signals—specifically, internal short circuits, external short circuits, and voltage and current sensors faults. We conduct various simulations to evaluate the performance of the proposed approach under different fault types and magnitudes. The obtained results validate the proposed approach and promise effective fault diagnosis for battery systems.

Farakhor, Amir↗
DOE OSTI2023

Tad and toxin-coregulated pilus structures reveal unexpected diversity in bacterial type IV pili

<Type IV pili (T4P) are ubiquitous in both bacteria and archaea. They are polymers of the major pilin protein, which has an extended and protruding N-terminal helix, α1, and a globular C-terminal domain. Cryo-EM structures have revealed key differences between the bacterial and archaeal T4P in their C-terminal domain structure and in the packing and continuity of α1. This segment forms a continuous α-helix in archaeal T4P but is partially melted in all published bacterial T4P structures due to a conserved helix breaking proline at position 22. The tad (tight adhesion) T4P are found in both bacteria and archaea and are thought to have been acquired by bacteria through horizontal transfer from archaea. Tad pilins are unique among the T4 pilins, being only 40 to 60 residues in length and entirely lacking a C-terminal domain. They also lack the Pro22 found in all high-resolution bacterial T4P structures. We show using cryo-EM that the bacterial tad pilus from Caulobacter crescentus is composed of continuous helical subunits that, like the archaeal pilins, lack the melted portion seen in other bacterial T4P and share the packing arrangement of the archaeal T4P. We further show that a bacterial T4P, the Vibrio cholerae toxin coregulated pilus, which lacks Pro22 but is not in the tad family, has a continuous N-terminal α-helix, yet its α1 s are arranged similar to those in other bacterial T4P. Our results highlight the role of Pro22 in helix melting and support an evolutionary relationship between tad and archaeal T4P.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Equivariant graph convolutional neural networks for the representation of homogenized anisotropic microstructural mechanical response

Composite materials with different microstructural material symmetries are common in engineering applications where grain structure, alloying and particle/fiber packing are optimized via controlled manufacturing. In fact these microstructural tunings can be done throughout a part to achieve functional gradation and optimization at a structural level. To predict the performance of particular microstructural configuration and thereby overall performance, constitutive models of materials with microstructure are needed. In this work we provide neural network architectures that provide effective homogenization models of materials with anisotropic components. These models satisfy equivariance and material symmetry principles inherently through a combination of equivariant and tensor basis operations. We demonstrate them on datasets of stochastic volume elements with different textures and phases where the material undergoes elastic and plastic deformation, and show that the these network architectures provide significant performance improvements.

anisotropy↗
NASA NTRS1987

Modal sensitivity for structural systems with repeated frequencies

Repeated or closely packed modal frequencies are common physical occurrences for vibrating structures which are complex or possess multi-planes of symmetry. The computation of the sensitivity to structural modifications for these frequencies and mode shapes is made difficult by the fact that the mode shapes are not unique, since any linear combination of eigenvectors corresponding to a repeated eigenvalue is also an eigenvector. The work of Chen and Pan is extended, who used modal expansion techniques for accommodating the sensitivity analysis of structures with repeated eigenvalues. Starting with a discussion of the physical significance of sensitivity analysis for repeated frequency modes, a derivation is presented of the governing equations for the derivatives of a repeated eigenvalue. This is followed with a small example to illustrate the results. An efficient computation procedure, based upon an expansion of Nelson's ideas for large banded systems, is then proposed for systems with repeated or closely spaced eigenvalues.

Ojalvo, I. U.↗
DOE OSTI2020

Activation and Assembly of Plasmonic-Magnetic Nanosurfactants for Encapsulation and Triggered Release

Multifunctional surfactants hold great potentials in catalysis, separation, and biomedicine. Highly active plasmonic-magnetic nanosurfactants are developed through a novel acid activation treatment of Au–Fe 3 O 4 dumbbell nanocrystals. The activation step significantly boosts nanosurfactant surface energy and enables the strong adsorption at interfaces, which reduces the interfacial energy one order of magnitude. Mediated through the adsorption at the emulsion interfaces, the nanosurfactants are further constructed into free-standing hierarchical structures, including capsules, inverse capsules, and two-dimensional sheets. The nanosurfactant orientation and assembly structures follow the same packing parameter principles of surfactant molecules. Furthermore, nanosurfactants demonstrate the capability to disperse and encapsulate homogeneous nanoparticles and small molecules without adding any molecular surfactants. The assembled structures are responsive to external magnetic field, and triggered release is achieved using an infrared laser by taking advantage of the enhanced surface plasmon resonance of nanosurfactant assemblies. Finally, solvent and pH changes are also utilized to achieve the cargo release.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2019

Instrumentation Needs of Inflatable Space Structures

NASA and industry are developing inflatable, crewed space structures for large-scale habitats for in-space and surface missions. Space certified inflatables are composed of high strength fabrics that carry the structural loads from internal pressure and replace traditional metallic primary structure. Inflatables can be packed for launch, fit inside a small launch shroud, and expand in orbit to create a large habitable volume for the crew. For safe operation of inflatable habitats, structural health monitoring (SHM) techniques are required to monitor and evaluate the structural loads in both ground and flight tests. Because of the nature of fabric structures, SHM techniques need to be soft, flexible, and be able to interface with softgoods. Litteken's presentation will introduce inflatable structures, their design, and their planned use for future NASA missions. He will discuss SHM needs for inflatables and their specific requirements for implementation with flight hardware.

Litteken, Doug↗
NASA NTRS2012

Shape Memory Composite Hybrid Hinge

There are two conventional types of hinges for in-space deployment applications. The first type is mechanically deploying hinges. A typical mechanically deploying hinge is usually composed of several tens of components. It is complicated, heavy, and bulky. More components imply higher deployment failure probability. Due to the existence of relatively moving components among a mechanically deploying hinge, it unavoidably has microdynamic problems. The second type of conventional hinge relies on strain energy for deployment. A tape-spring hinge is a typical strain energy hinge. A fundamental problem of a strain energy hinge is that its deployment dynamic is uncontrollable. Usually, its deployment is associated with a large impact, which is unacceptable for many space applications. Some damping technologies have been experimented with to reduce the impact, but they increased the risks of an unsuccessful deployment. Coalescing strain energy components with shape memory composite (SMC) components to form a hybrid hinge is the solution. SMCs are well suited for deployable structures. A SMC is created from a high-performance fiber and a shape memory polymer resin. When the resin is heated to above its glass transition temperature, the composite becomes flexible and can be folded or packed. Once cooled to below the glass transition temperature, the composite remains in the packed state. When the structure is ready to be deployed, the SMC component is reheated to above the glass transition temperature, and it returns to its as-fabricated shape. A hybrid hinge is composed of two strain energy flanges (also called tape-springs) and one SMC tube. Two folding lines are placed on the SMC tube to avoid excessive strain on the SMC during folding. Two adapters are used to connect the hybrid hinge to its adjacent structural components. While the SMC tube is heated to above its glass transition temperature, a hybrid hinge can be folded and stays at folded status after the temperature is reduced to below its glass transition temperature. After the deployable structure is launched in space, the SMC tube is reheated and the hinge is unfolded to deploy the structure. Based on test results, the hybrid hinge can achieve higher than 99.999% shape recovery. The hybrid hinge inherits all of the good characteristics of a tape-spring hinge such as simplicity, light weight, high deployment reliability, and high deployment precision. Conversely, it eliminates the deployment impact that has significantly limited the applications of a tape-spring hinge. The deployment dynamics of a hybrid hinge are in a slow and controllable fashion. The SMC tube of a hybrid hinge is a multifunctional component. It serves as a deployment mechanism during the deployment process, and also serves as a structural component after the hinge is fully deployed, which makes a hybrid hinge much stronger and stiffer than a tape-spring hinge. Unlike a mechanically deploying hinge that uses relatively moving components, a hybrid hinge depends on material deformation for its packing and deployment. It naturally eliminates the microdynamic phenomenon.

Fang, Houfei↗
NASA NTRS1997

Energetics of the lattice: packing elements in crystals of four-stranded intercalated cytosine-rich DNA molecules

Condensation of single molecules from solution into crystals represents a transition between distinct energetic states. In solution, the atomic interactions within the molecule dominate. In the crystalline state, however, a set of additional interactions are formed between molecules in close contact in the lattice--these are the packing interactions. The crystal structures of d(CCCT), d(TAACCC), d(CCCAAT), and d(AACCCC) have in common a four-stranded intercalated cytosine segment, built by stacked layers of cytosine.cytosine+ (C.C+) base pairs coming from two parallel duplexes that intercalate into each other with opposite polarity. The intercalated cytosine segments in these structures are similar in their geometry, even though the sequences crystallized in different space groups. In the crystals, adenine and thymine residues of the sequences are used to build the three-dimensional crystal lattice by elaborately interacting with symmetry-related molecules. The packing elements observed provide novel insight about the copious ways in which nucleic acid molecules can interact with each other--for example, when folded in more complicated higher order structures, such as mRNA and chromatin.

Non-NASA Center↗
DOE OSTI2023

Fractal dimensions of jammed packings with power-law particle size distributions in two and three dimensions

Static structure factors are computed for large-scale, mechanically stable, jammed packings of frictionless spheres (three dimensions) and disks (two dimensions) with broad, power-law size dispersity characterized by the exponent -β. Here, the static structure factor exhibits diverging power-law behavior for small wave numbers, allowing us to identify a structural fractal dimension d f . In three dimensions, d f ≈ 2.0 for 2.5≤ β ≤ 3.8, such that each of the structure factors can be collapsed onto a universal curve. In two dimensions, we instead find 1.0≲ d f ≲1.34 for 2.1≤ β ≤ 2.9. Furthermore, we show that the fractal behavior persists when rattler particles are removed, indicating that the long-wavelength structural properties of the packings are controlled by the large particle backbone conferring mechanical rigidity to the system. A numerical scheme for computing structure factors for triclinic unit cells is presented and employed to analyze the jammed packings.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2001

Nanoklystron: A Monolithic Tube Approach to THz Power Generation

The authors propose a new approach to THz power generation: the nanoklystron. Utilizing silicon micromachining techniques, the design and fabrication concept of a monolithic THz vacuum-tube reflex-klystron source is described. The nanoklystron employs a separately fabricated cathode structure composed of densely packed carbon nanotube field emitters and an add-in repeller. The nanotube cathode is expected to increase the current density, extend the cathode life and decrease the required oscillation voltage to values below 100 V. The excitation cavity is based on ridged-waveguide and differs from the conventional cylindrical re-entrant structures found in lower frequency klystrons. A quasi-static field analysis of the cavity and output coupling structure show excellent control of the quality factor and desired field distribution. Output power is expected to occur through an iris coupled matched rectangular waveguide and integrated pyramidal feed horn. The entire circuit is designed so as to be formed monolithically from two thermocompression bonded silicon wafers processed using deep reactive ion etching (DRIE) techniques. To expedite prototyping, a 600 GHz mechanically machined structure has been designed and is in fabrication. A complete numeric analysis of the nanoklystron circuit, including the electron beam dynamics has just gotten underway. Separate evaluation of the nanotube cathodes is also ongoing. The authors will describe the progress to date as well as plans for the immediate implementation and testing of nanoklystron prototypes at 640 and 1250 GHz.

Siegel, Peter H.↗
DOE OSTI2026

Adsorption, charge transfer and a coverage-driven transition of alkali metals on rutile TiO 2 (110)

The interaction of alkali metals with metal oxide surfaces is central to tuning surface reactivity in heterogeneous catalysis and photocatalysis. Here we present a comprehensive DFT+U study of the adsorption of alkali metals (Li, Na, K, Rb, Cs) on the (110) surface of rutile TiO 2 . At low coverage (θ = 1/8), all alkali metals bind preferentially to bridging oxygen sites with adsorption energies in the range −4.06 to −3.33 eV, transferring nearly one full electron (0.92–0.99 |e|) to the substrate and inducing Ti 4+ → Ti 3+ reduction. The excess charge localizes preferentially at subsurface Ti sites in the form of small polarons. Diffusion barriers indicate facile motion along bridging-oxygen rows, whereas inter-row hopping is strongly hindered. Coverage effects were examined systematically for potassium: adsorption energy and charge transfer per K atom decrease monotonically with increasing θ. Strikingly, a sharp energy discontinuity occurs between θ = 4/8 and θ = 5/8 (ΔE ≈ 1 eV per atom), which we identify as a coverage-driven structural transition arising from steric packing constraints and enhanced K–K electrostatic repulsion once every (1×1) surface cell is occupied. This structural transition perfectly correlates with a dramatic drop in the work function down to an ultra-low minimum of 0.84 eV at θ=5/8, followed by a metallization- driven recovery at higher coverages. Ab initio molecular dynamics simulations confirm zigzag K arrangements at moderate coverage (θ = 1/3), while at high coverage (θ = 2/3) short-range K–K correlations emerge without long-range order. These results provide atomistic insight into the structure–activity relationships underlying alkali promotion effects on oxide-supported catalysts.

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

Soft, malleable double diamond twin

A twin boundary (TB) is a common low energy planar defect in crystals including those with the atomic diamond structure (C, Si, Ge, etc.). We study twins in a self-assembled soft matter block copolymer (BCP) supramolecular crystal having the double diamond (DD) structure, consisting of two translationally shifted, interpenetrating diamond networks of the minority polydimethyl siloxane block embedded in a polystyrene block matrix. The coherent, low energy, mirror-symmetric double tubular network twin has one minority block network with its nodes offset from the (222) TB plane, while nodes of the second network lie in the plane of the boundary. The offset network, although at a scale about a factor of 10 3 larger, has precisely the same geometry and symmetry as a (111) twin in atomic single diamond where the tetrahedral units spanning the TB retain nearly the same strut (bond) lengths and strut (bond) angles as in the normal unit cell. In DD, the second network undergoes a dramatic restructuring—the tetrahedral nodes transform into two new types of mirror-symmetric nodes (pentahedral and trihedral) which alternate and link to form a hexagonal mesh in the plane of the TB. The collective reorganization of the supramolecular packing highlights the hierarchical structure of ordered BCP phases and emphasizes the remarkable malleability of soft matter.

36 MATERIALS SCIENCE↗