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Results for “structural alignment”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Electrodynamics of solar wind-magnetosphere-ionosphere interactions

The paper presents a coherent picture of fundamental physical processes in three basic elements of the solar-wind/magnetosphere/ionosphere coupling system: (1) the field-aligned potential structure which leads to the formation of auroral arcs, (2) the magnetosphere-ionosphere coupling which leads to the onset of magnetospheric substorms, and (3) the solar-wind/magnetosphere dynamo which supplies the power driving various magnetospheric processes. Process (1) is forced into existence by the loss-cone constriction effect when the upward field-aligned current density exceeds the loss-cone thermal flux limit. Substorm onset occurs when the ionosphere responds fully to the enhanced magnetospheric convection driven by the solar wind. Energy is transferred from the solar wind to the magnetosphere by a dynamo process, primarily on open field lines.

Kan, Joseph R.↗
DOE OSTI2025

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗
NASA NTRS2012

Research and Development of External Occultor Technology for the Direct Observation of Extrasolar Planetary Systems : JPL Starshades Project

Our group conducted work during the Summer of 2012 assembling and developing JPL's Starshades Project under the Technology Development for Exoplanet Missions(TDEM) initiative created by NASA, specifically TDEM stage 2. The goal of the work conducted at JPL by our group was to construct four occultor petals, the main optical components of the Starshade, for the analysis of joint deployment characteristics and of mechanical strain. A Starshade is an optical structure measuring approximately 30 meters in diameter that uses the effects of light diffraction off sheer edges, light scattering, and negative interference between waves to negate all on-axis light in a telescope's image, providing very high contrast that allows planets orbiting a target star to be observed. We completed our engineering goals in the time span of 10 weeks, during which the assembly processes of manufacture, alignment, and structural bonding took place. The Starshade technology and construction process is further discussed in the body of this paper.

exoplanet missions↗
NASA NTRS2012

Research and development of external occultor technology for the direct observation of extrasolar planetary systems : JPL Starshades Project

Our group conducted work during the Summer of 2012 assembling and developing JPL's Starshades Project under the Technology Development for Exoplanet Missions(TDEM) initiative created by NASA, specically TDEM stage 2. The goal of the work conducted at JPL by our group was to construct four occultor petals, the main optical components of the Starshade, for the analysis of joint deployment characteristics and of mechanical strain. A Starshade is an optical structure measuring approximately 30 meters in diameter that uses the effects of light difraction of sheer edges, light scattering, and negative interference between waves to negate all on-axis light in a telescope's image, providing very high contrast that allows planets orbiting a target star to be observed. We completed our engineering goals in the time span of 10 weeks, during which the assembly processes of manufacture, alignment, and structural bonding took place. The Starshade technology and construction process is further discussed in the body of this paper.

Stadeler, Herbert Franz Mehnert↗
NASA NTRSDate not supplied

Technical Oversight of the Nancy Grace Roman Space Telescope Optical Telescope Assembly (OTA) Element Procurement: Opportunities, Challenges, & Lessons Learned (2024 Update)

Nancy Grace Roman Space Telescope Optical Telescope Assembly (OTA) is an out-of-house procurement from L3Harris currently being integrated and tested in Rochester, NY. Building upon L3Harris’s decades of success producing world-class optical systems for government and commercial customers offers NASA a proven partner and a tremendous opportunity for high performance and value. Inheriting significant portions of the telescope (including the primary and secondary mirror, composite metering structures and alignment drives) from a previous program presents the opportunity to save cost and schedule but constrains the design space for the unique challenges of the Roman mission. This seminar will cover a brief description of the OTA and its history, some of the challenges posed by incorporating an established product line and inherited hardware into a Class A mission, and some approaches and lessons learned that may be helpful for those structuring new missions or providing technical oversight of out-of-house procurements.

Joshua Abel↗
NASA NTRS1983

Higher-order derivative correlations and the alignment of small-scale structures in isotropic numerical turbulence

In a three dimensional simulation higher order derivative correlations, including skewness and flatness factors, are calculated for velocity and passive scalar fields and are compared with structures in the flow. The equations are forced to maintain steady state turbulence and collect statistics. It is found that the scalar derivative flatness increases much faster with Reynolds number than the velocity derivative flatness, and the velocity and mixed derivative skewness do not increase with Reynolds number. Separate exponents are found for the various fourth order velocity derivative correlations, with the vorticity flatness exponent the largest. Three dimensional graphics show strong alignment between the vorticity, rate of strain, and scalar-gradient fields. The vorticity is concentrated in tubes with the scalar gradient and the largest principal rate of strain aligned perpendicular to the tubes. Velocity spectra, in Kolmogorov variables, collapse to a single curve and a short minus 5/3 spectral regime is observed.

Kerr, R. A.↗
NASA NTRS1972

The structure of the magnetosphere as deduced from magnetospherically reflected whistlers

Very low frequency (VLF) electromagnetic wave phenomenon called the magnetospherically reflected (MR) whistler was investigated. VLF (0.3 to 12.5 kHz) data obtained from the Orbiting Geophysical Observatories 1 and 3 from October 1964 to December 1966 were used. MR whistlers are produced by the dispersive propagation of energy from atmospheric lightning through the magnetosphere to the satellite along ray paths which undergo one or more reflections due to the presence of ions. The gross features of MR whistler frequency-time spectrograms are explained in terms of propagation through a magnetosphere composed of thermal ions and electrons and having small density gradients across L-shells. Irregularities observed in MR spectra were interpreted in terms of propagation through field-aligned density structures. Trough and enhancement density structures were found to produce unique and easily recognizable signatures in MR spectra. Sharp cross-field density dropoff produces extra traces in MR spectrograms.

Edgar, B. C.↗
DOE OSTI2021

Improving protein tertiary structure prediction by deep learning and distance prediction in CASP14

Abstract Substantial progresses in protein structure prediction have been made by utilizing deep‐learning and residue‐residue distance prediction since CASP13. Inspired by the advances, we improve our CASP14 MULTICOM protein structure prediction system by incorporating three new components: (a) a new deep learning‐based protein inter‐residue distance predictor to improve template‐free (ab initio) tertiary structure prediction, (b) an enhanced template‐based tertiary structure prediction method, and (c) distance‐based model quality assessment methods empowered by deep learning. In the 2020 CASP14 experiment, MULTICOM predictor was ranked seventh out of 146 predictors in tertiary structure prediction and ranked third out of 136 predictors in inter‐domain structure prediction. The results demonstrate that the template‐free modeling based on deep learning and residue‐residue distance prediction can predict the correct topology for almost all template‐based modeling targets and a majority of hard targets (template‐free targets or targets whose templates cannot be recognized), which is a significant improvement over the CASP13 MULTICOM predictor. Moreover, the template‐free modeling performs better than the template‐based modeling on not only hard targets but also the targets that have homologous templates. The performance of the template‐free modeling largely depends on the accuracy of distance prediction closely related to the quality of multiple sequence alignments. The structural model quality assessment works well on targets for which enough good models can be predicted, but it may perform poorly when only a few good models are predicted for a hard target and the distribution of model quality scores is highly skewed. MULTICOM is available at https://github.com/jianlin-cheng/MULTICOM_Human_CASP14/tree/CASP14_DeepRank3 and https://github.com/multicom-toolbox/multicom/tree/multicom_v2.0 .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Bioinformatics and 3D Structural Analysis of the Coronavirus Main Protease Active Site Diversity

Coronaviruses (Coronaviridae) such as SARS‐CoV‐2 (severe acute respiratory syndrome coronavirus) and MERS‐CoV (Middle East respiratory syndrome coronavirus) have been the source of recent outbreaks and global health concerns. While vaccines have been essential for controlling the SARS‐CoV‐2 (COVID‐19) pandemic, it is uncertain whether they will be effective against future coronavirus strains. Therefore, identification or design of a broad‐spectrum drug that targets highly conserved regions of the main protease of multiple coronavirus strains is essential in the long term. As part of a virtual summer research experience with the RCSB PDB, bioinformatics tools were employed to predict and construct 3D models of the coronavirus main protease (MPro) using SARS‐CoV‐2 as the template, with a focus on mutational trends and active sites. This study focused on the active sites of MPro, a cysteine protease essential for viral assembly and replication. Sequence alignments and structure modeling of MPro structures has identified conserved regions across multiple coronavirus strains. Inhibition of MPro halts coronavirus replication, making it an ideal drug target, and studies of MPro may foster and accelerate the discovery of high affinity broad‐spectrum drugs.

Wu Wu, Amy↗
DOE OSTI2023

Improving AlphaFold2-based protein tertiary structure prediction with MULTICOM in CASP15

Since the 14th Critical Assessment of Techniques for Protein Structure Prediction (CASP14), AlphaFold2 has become the standard method for protein tertiary structure prediction. One remaining challenge is to further improve its prediction. We developed a new version of the MULTICOM system to sample diverse multiple sequence alignments (MSAs) and structural templates to improve the input for AlphaFold2 to generate structural models. The models are then ranked by both the pairwise model similarity and AlphaFold2 self-reported model quality score. The top ranked models are refined by a novel structure alignment-based refinement method powered by Foldseek. Moreover, for a monomer target that is a subunit of a protein assembly (complex), MULTICOM integrates tertiary and quaternary structure predictions to account for tertiary structural changes induced by protein-protein interaction. The system participated in the tertiary structure prediction in 2022 CASP15 experiment. Our server predictor MULTICOM_refine ranked 3rd among 47 CASP15 server predictors and our human predictor MULTICOM ranked 7th among all 132 human and server predictors. The average GDT-TS score and TM-score of the first structural models that MULTICOM_refine predicted for 94 CASP15 domains are ~0.80 and ~0.92, 9.6% and 8.2% higher than ~0.73 and 0.85 of the standard AlphaFold2 predictor respectively.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Assimilation of Soil Moisture Observations Over Land Improves Analysis and Prediction of Tropical Cyclone Idai

Soil moisture conditions can impact the circulation and structure of a tropical cyclone (TC) when part or all of the circulation is over land. Dry land surface conditions may lead to faster dissipation of a TC over land, whereas very wet conditions may lead to a prolonged maintenance of its intensity. While this relationship is relatively well understood in theory, applications of these findings in the context of numerical weather prediction (NWP) have been limited. Here we present a case study that explores the potential of improving TC predictions through an improved soil moisture initialization in an NWP framework. Specifically, we examine the impact of assimilating observations from the NASA Soil Moisture Active Passive (SMAP) mission into the NASA Goddard Earth Observing System (GEOS) global weather model on the prediction of South-West Indian Ocean TC Idai (2019). SMAP provides accurate L-band (1.4 GHz) brightness temperatures (Tb) observations that are sensitive to soil moisture globally and at high revisit times of 2-3 days. It has previously been shown that the assimilation of SMAP Tbs significantly improves modeled land surface states. Here we evaluate: (i) forecasts initialized from an analysis that is comparable to the GEOS operational analysis (without SMAP Tb assimilation) and (ii) forecasts initialized from an analysis that additionally assimilates SMAP Tb observations. We find that in the analysis with SMAP assimilation, the TC has a better-defined, more aligned vertical structure over land relative to the control run; moreover, the analyzed TC size, as measured by the wind speed radius, better matches the observed TC size. We further find significant reductions in the forecast intensity error and the forecast along-track error, measured against observations. The largest error reductions occur at lead times of 36 to 72 hours, suggesting that the land with its longer memory gains in importance as a source of predictability at this timescale. An investigation of the underlying mechanisms leading to the skill improvements from SMAP data assimilation revealed that the assimilation of SMAP leads to wetter soil moisture conditions and an increased latent heat flux in the SMAP analysis, which results in a TC with higher column-integrated total moisture content and total energy compared to the control analysis.

Jana Kolassa↗
NASA NTRS2010

Compliant, low profile, independently releasing, non-protruding and genderless docking system for robotic modules

An apparatus for coupling with a mating coupling module to facilitate the joining of two disjoined structures without requiring precise alignment between the disjoined structures during the coupling of them may include a rotating drive mechanism, a hollow cylindrical body operatively connected to the rotating drive mechanism, wherein the hollow cylindrical body has at least one internal spiral channel, and at least one connector claw positioned within the hollow cylindrical body and guided by the internal spiral channel, wherein the at least one connector claw is configured to extend outwardly from the coupling module to engage the mating coupling module when brought in close proximity but not necessarily in precise alignment with the mating coupling module.

Khoshnevis, Behrokh↗
DOE OSTI2025

Parallel diffusion operator for magnetized plasmas with improved spectral fidelity

Diffusive transport processes in magnetized plasmas are highly anisotropic, with fast parallel transport along the magnetic field lines sometimes faster than perpendicular transport by orders of magnitude. This constitutes a major challenge for describing non-grid-aligned magnetic structures in Eulerian (grid-based) simulations. Here, the present paper describes and validates a new method for parallel diffusion in magnetized plasmas based on the anti-symmetry representation [Halpern and Waltz, Phys. Plasmas 25, 060703 (2018)]. In the anti-symmetry formalism, diffusion manifests as a flow operator involving the logarithmic derivative of the transported quantity. Qualitative plane wave analysis shows that the new operator naturally yields better discrete spectral resolution compared to its conventional counterpart. Numerical simulations comparing the new method against existing finite difference methods are carried out, showing significant improvement. In particular, we find that combining anti-symmetry with finite differences in diagonally staggered grids essentially eliminates the so-called “artificial numerical diffusion” that affects conventional finite difference and finite volume methods.

Anisotropic diffusion↗
DOE OSTI2026

In situ study on radiation response of tungsten manufactured by laser powder bed fusion

Tungsten (W) produced by laser powder bed fusion (LPBF) was examined by in situ Krypton (Kr) ion irradiation at 400 °C up to 2.52 displacements per atom (dpa) to investigate its radiation response. Dislocation loops with identical Burgers vectors form aligned raft structures, inducing significant grain misorientation accumulation. Defect saturation was observed beyond 0.36 dpa, marked by constant loop density and raft spacing. WO 3 nanoparticles are found in the as-printed matrix and served as efficient defect sinks. Dislocation loops were absorbed at the W/WO 3 interface, facilitating defect annihilation and suppressing defect accumulation. In conclusion, these findings highlight the role of LPBF microstructure and oxide interfaces in mediating radiation-induced defect evolution, offering insights for designing radiation tolerant W-based materials.

Defect sink↗
DOE OSTI2021

Solvent Processing and Ionic Liquid-Enabled Long-Range Vertical Ordering in Block Copolymer Films with Enhanced Film Stability

Rapid and reliable processing methods for forming ordered block copolymer (BCP) materials with low defect density in a thin film geometry are required for many nanotechnology applications. Vertically aligned BCP structures, in particular, have applications ranging from nanolithography for electronics and photonics to nanoporous membranes for water remediation and novel batteries for flexible electronics. However, the attainment of nearly complete vertical orientational order of the BCP ordered phase remains challenging. Solvent-based techniques, such as direct immersion annealing (DIA) and solvent vapor annealing (SVA), have immense potential for these applications of BCP films, as it allows for tuning of their thermodynamic, structural, and chain mobility driven kinetic properties. We first demonstrate that DIA, using a judicious choice of binary solvent mixtures along with a relatively hydrophobic ionic liquid (IL), induces the rapid vertical ordering in polystyrene-b-polymethylmethacrylate (PS-PMMA) block copolymer in lamellar films. The IL establishes synergy to the binary solvent mixture of toluene and heptane to 1 create a near-neutral solvent environment for attaining the vertical microstructure of the BCP. Next, we show that IL can suppress the de-wetting of the PS-PMMA films to achieve long-range order using SVA in cylindrical films for long annealing times. Both vertical and horizontal morphology is attained in these films by selecting different solvent environments. Furthermore, attaining enhanced vertical and horizontal BCP structure with long-range defect-free order by tuning solvent quality and using additives like IL can render them useful for many nanotech applications.

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

River Delta Morphotypes Emerge From Multiscale Characterization of Shorelines

Abstract Delta shoreline structure has long been hypothesized to encode information on the relative influence of fluvial, wave, and tidal processes on delta formation and evolution. We introduce here a novel multiscale characterization of shorelines by defining three process‐informed morphological metrics. We show that this characterization yields self‐emerging classes of morphologically similar deltas, that is, delta morphotypes, and also predicts the dominant forcing of each morphotype. Then we show that the dominant forcings inferred from shoreline structure generally align with those estimated via relative sediment fluxes, while positing that misalignments arise from spatiotemporal heterogeneity in deltaic sediment fluxes not captured in their estimates. The proposed framework for shoreline characterization advances our quantitative understanding of how shoreline features reflect delta forcings, and may aid in deciphering paleoclimate from images of ancient deposits and projecting delta morphologic response to changes in sediment fluxes.

Vulis, L.↗
DOE OSTI2026

Self-oscillating synchronematic colloids

Self-oscillators that sustain periodic dynamics under constant input are ubiquitous in natural and engineered systems, where their interactions enable spatiotemporal coordination among many individual units. New forms of organization can emerge when these self-oscillating units are free to move and rotate, coupling their spatial arrangement and alignment with their oscillation frequencies and phases. Here, we report experiments and simulations on populations of Quincke colloids that behave as self-oscillating units with position, orientation, frequency, and phase. Depending on the initial distribution, these active oscillators spontaneously organize into distinct collective states characterized by temporal synchronization and directional alignment, which we term synchronematic order. In fluid-like clusters, this order is short-ranged and decays over a length scale set by the competition between hydrodynamic interactions and athermal noise. In crystalline clusters, these interactions drive flobal synchronization and circular alignment-synchronematic crystals-whose collective frequency increases with cluster size due to non-reciprocal interactions. Our results establish self-oscillating colloids as a model system for active oscillatory matter and reveal fundamental principles by which synchronization, alignment, and structure co-emerge, offering new pathways for designing adaptive, frequency-tunable materials.

colloids↗
DOE OSTI2024

Nuclear magnetic resonance investigation of superconducting and normal state Nb 3 Sn

The superconductor Nb3Sn has important applications for construction of very high-field superconducting magnets. In this work we investigate its microscopic electronic structure with 93 Nb nuclear magnetic resonance (NMR). The high-quality Nb 3 Sn powder sample was studied in both 3.2 T and 7 T magnetic fields in the temperature range from 4 K to 300 K. From measurement of the spectrum and its theoretical analysis, we find evidence for anisotropy despite its cubic crystal structure. Magnetic alignment of the powder grains in the superconducting state was also observed. The Knight shift and spin-lattice relaxation rate, T 1 -1 , were measured and the latter compared with BCS theory for the energy gap Δ(0) = 2.7 ± 0.3k B T c at 3.2 T and Δ(0) = 2.33 ± 0.07 k B T c at 7 T, indicating suppression of the order parameter by magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗