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At least 883 records · Page 49

Space‐Time Causal Discovery in Earth System Science: A Local Stencil Learning Approach

Causal discovery tools enable scientists to infer meaningful relationships from observational data, spurring advances in fields as diverse as biology, economics, and climate science. Despite these successes, the application of causal discovery to space-time systems remains immensely challenging due to the high-dimensional nature of the data. For example, in climate sciences, modern observational temperature records over the past few decades regularly measure thousands of locations around the globe. To address these challenges, we introduce Causal Space-Time Stencil Learning (CaStLe), a novel meta-algorithm for discovering causal structures in complex space-time systems. CaStLe leverages regularities in local space-time dependencies to learn governing global dynamics. This local perspective eliminates spurious confounding and drastically reduces sample complexity, making space-time causal discovery practical and effective. For causal discovery, CaStLe flexibly accepts any appropriately adapted time series causal discovery algorithm to recover local causal structures. These advances enable causal discovery of geophysical phenomena that were previously unapproachable, including non-periodic, transient phenomena such as volcanic eruption plumes. Regularities in local space-time dependencies are transformed into informative spatial replicates, which actually improve CaStLe's performance when applied to ever-larger spatial grids. We successfully apply CaStLe to discover the atmospheric dynamics governing the climate response to the 1991 Mount Pinatubo volcanic eruption. We provide validation experiments to demonstrate the effectiveness of CaStLe over existing causal-discovery frameworks on a range of geophysics-inspired benchmarks while identifying the method's limitations and domains where its assumptions may not hold.

Nichol, J. Jake [Univ. of New Mexico, Albuquerque,↗

Docking of a spacecraft with an unrestrained orbiting structure

A methodology is presented for simulating a docking process involving a rigid body and an unrestrained nonuniform beam in orbit, and the issues that must be faced in the course of producing any such simulation are discussed. An algorithm is produced for the simulation of motions of the unrestrained structure, which necessitates the use of a structural analysis program for the purpose of constructing modal functions. An impulse problem then is solved in order to discover the changes that take place in certain variables in the course of the docking. This information is utilized to determine the initial values of variables used to characterize postdocking motions of the system under consideration, and an algorithm for simulating these motions is created, in which a structural analysis program is again used to produce modal functions. Finally, an extension of the methodology to the simulation of the docking of a rigid body with more complex orbiting structures is discussed.

Levinson, D. A.↗

Structural analysis model validation using modal test data

The design of a structure which can survive a prescribed dynamic environment is generally based on the use of an analytical model of the structure. The modal test is employed to verify the analytical model. This paper is concerned with the involved validation process, taking into account modal test results from realistic complex spacecraft structural systems as examples to demonstrate the proposed validation procedure. Attention is given to a load analysis model definition, a pretest analysis and test/analysis model, and the correlation parameters. Coordinate transformation is considered along with mode identification, frequency orthogonality, effective mass, mode shape, local kinetic energy, modal force, strain energy, and modal forces by acceleration measurements. Two examples are used to illustrate the procedure.

Chen, J.-C.↗

Configuration design sensitivity analysis of built-up structures

In the design of complex built-up structures that are made of truss, beam, membrane, shell, and solid, there are five different kinds of design variables: material property, sizing, shape, configuration, and topological variables. Previous research has shown that the improvement in performances obtained by altering the configuration of structural components can be much more significant than those obtained when the geometry is assumed to be fixed. Using the variational approach, a unified design sensitivity was developed for the first three kinds of design variables, and was further extended recently in many structural analysis problems such as nonlinear, structural dynamics, and frequency response analysis. A continuum design sensitivity analysis method is developed for the configuration design variable of built-up structures.

Choi, Kyung K.↗

Structural Analysis

NASTRAN basically performs complex analyses of a structural design and predicts how various elements of the design will react to many different conditions of stress and strain. NASTRAN applications include almost every kind of structure and construction, and the program's substructuring capability allows different segments of a structure to be modeled jointly after having been modeled separately. NASTRAN permits the effects of control systems, aerodynamic transfer functions and other nonstructural problems, such as static response to thermal expansion, to be incorporated in the solution of the structural problem. Examples of industrial users of NASTRAN include DeVlieg-Sundstrand, Belvidere, Illinois, Texas Instruments, Temple, Texas and Texas Instrument's Central Research Laboratories. NASTRAN is available to private industry through NASA's Computer Software Management and Information Center.

Source record↗

Three-dimensional printing of wood

Natural wood has served as a foundational material for buildings, furniture, and architectural structures for millennia, typically shaped through subtractive manufacturing techniques. However, this process often generates substantial wood waste, leading to material inefficiency and increased production costs. A potential opportunity arises if complex wood structures can be created through additive processes. Here, we demonstrate an additive-free, water-based ink made of lignin and cellulose, the primary building blocks of natural wood, that can be used to three-dimensional (3D) print architecturally designed wood structures via direct ink writing. The resulting printed structures, after heat treatment, closely resemble the visual, textural, olfactory, and macro-anisotropic properties, including mechanical properties, of natural wood. Our results pave the way for 3D-printed wooden construction with a sustainable pathway to upcycle/recycle natural wood.

36 MATERIALS SCIENCE↗

Induction of Three-Dimensional Growth of Human Liver Cells in Simulated Microgravity

We previously reported that a NASA-developed bioreactor that simulates microgravity environment and creates the unique environment of low shear force and high-mass transfer is conducive for maintaining long term 3-D cell cultures of functional hepatocytes (60 days). However, significant further expansion of liver mass, or the remodeling of liver in vitro was jeopardized by the appearance of apoptotic zones in the center of large cell aggregates. To optimize oxygenation and nutritional uptake within growing cellular aggregates we cultured primary human liver cells (HLC) in a bioreactor in the presence or absence of microcarriers and biodegradable scaffolds. Also, to promote angiogenesis, HLC were cultured with or without microvascular endothelial cells. HLC were harvested from human livers by collagenase perfusion. While microcarriers did not affect cell growth, HLC cultured with biodegradable scaffolds made from polyglycolic acid (PGA) formed aggregates up to 3 cm in length. Culturing cells with PGA scaffolds increased the efficiency of cell self-assembly and the formation of larger cell aggregates. Based on histological evaluation it appears that the degree of apoptotic cells was diminished as compared to cultures without scaffolds. Histology of HLC with PGA-scaffolds revealed cell distribution between the fibers of the scaffolds, and cell-cell and cell-fiber interactions. Analyses of HLC spheroids revealed tissue-like structures comprised of hepatocytes, biliary epithelial cells and/or progenitor liver cells that were arranged as bile duct-like structures along nascent vascular sprouts. Electron microscopy revealed groups of cohesive hepatocytes and bile canaliculi with multiple microvilli and tight cellular junctions. Hepatocytes were further organized into tight clusters surrounded by complex stromal structures and reticulin fibers. Also, we observed higher levels of albumin mRNA expression when hepatocytes were co-cultured with endothelial cells. To evaluate viability and microsomal deethylation activity of hepatocytes we assessed the metabolism of midazolam by gas chromatography. Samples that were collected from HLC cultured in the bioreactor contained higher levels of midazolam metabolites (1-OH-midazolam and 4-OH-midazolam) than samples collected from conventional cultures. In summary, we have shown that co-culture of HLC with endothelial cells and/or culturing in the presence of PGA scaffolds provides additional advantages in maintaining functional activity of 3-D hepatocyte cultures that resemble liver tissue. This cell culture system may facilitate studies of liver regeneration and cell-to-cell interactions that occur in vivo and suggest the feasibility of using this approach for pre-clinical metabolic screening of novel drug candidates.

Pellis, Neal R.↗

Influence of Steric and Electronic Properties of P2 Groups on Covalent Inhibitor Binding to SARS-CoV-2 Main Protease

The main protease (MPro) of SARS-CoV-2 is a critical enzyme required for viral replication, making it a prime target for antiviral drug development. Covalent inhibitors, which form a stable interaction with the catalytic C145, have demonstrated strong inhibition of MPro, but the influence of steric and electronic properties of P2 substituents, designed to engage the S2 substrate-binding subsite within the MPro active site, on inhibitor binding affinity remains underexplored. Here, in this study, we design and characterize two hybrid covalent inhibitors, BBH-3 and BBH-4, and present their X-ray crystallographic structures in complex with MPro, providing molecular insights into how their distinct P2 groups, a dichlorobenzyl moiety in BBH-3 and an adamantyl substituent in BBH-4, affect binding conformation and active site adaptability. Comparative structural analyses with previously characterized inhibitors, including BBH-2 and Mcule-5948770040, reveal how the P2 bulkiness and electronic properties influence active site dynamics, particularly through interactions with the S2 and S5 subsites. The P2 group of BBH-3 induces conformational shifts in the S2 helix and the S5 loop, while BBH-4 displaces M49, stabilizing its binding through hydrophobic interactions. Isothermal titration calorimetry further elucidates the impact of P2 modifications on inhibitor affinity, revealing a delicate balance between enthalpic and entropic contributions. The data demonstrate that BBH-3 exhibits less favorable binding, affirming that dichlorobenzyl substitution at the P2 position has a more negative impact on the affinity for MPro than bulky saturated cyclic groups. This underscores the feature that MPro active site malleability may be accompanied by a conformational strain.

SARS-CoV-2↗

Insulating ground state and 2−𝑘 magnetic structure of candidate Weyl hydrogen-atom K2⁢Mn3⁢(AsO4)3

The ideal Weyl "hydrogen-atom" semimetal exhibits only a single pair of Weyl nodes and no other trivial states at the Fermi energy. Such a material would be a panacea in the study of Weyl quasi-particles, allowing direct unambiguous observation of their topological properties. The alluaudite-like K2⁢Mn3⁢(AsO4)3 compound was recently proposed as such a material. Here, we use comprehensive experimental work and first-principle calculations to assess this prediction. We find K2⁢Mn3⁢(AsO4)3 crystallizes in the 𝐶⁢2/𝑐 symmetry with a quasi-one-dimensional Mn sublattice, growing as small needle-like crystals. Bulk property measurements reveal magnetic transitions at ≈8 and ≈4 K, which neutron scattering experiments show correspond to two distinct magnetic orders, first a partially ordered ferrimagnetic 𝐤𝟏=(0,0,0) structure at 8 K and a second transition of 𝐤𝟐=(1,0,0) at 4 K to a fully ordered state. Below the second transition, both ordering vectors are necessary to describe the complex magnetic structure with modulated spin magnitudes. Both of the best-fit magnetic structures in this work are found to break the symmetry necessary for the generation of Weyl nodes, though one of the magnetic structures allowed by 𝐤𝟏 does preserve this symmetry. However, the crystals are optically transparent and ellipsometry measurements reveal a large band gap, undermining expectations of semimetallic behavior. Density functional theory calculations predict an insulating antiferromagnetic ground state, in contrast to previous reports, and suggest potential frustration on the magnetic sublattice. Given the wide tunability of the alluaudite structure, we consider ways to push the system closer to a semimetallic state.

Taddei, Keith M [Argonne National Laboratory]↗

Relativistic MHD Simulations of Precessed Jets

Relativistic jets are considered to be generated by magnetic fields in a rotating black hole with accretion disk. Consequently, resulting outflows contain magnetic fields in them and control the propagation of jets. We have performed 3D relativistic MHD simulations to investigate the stability and structure of precessed MHD jets with large Lorentz factor by using a newly developed 3D GRMHD code. We have performed simulations of supermagnetosonic jets surrounded by a fast wind. The simulation results reveal complex pressure structure inside the RMHD jet. The structure is produced by a combination of the helical surface and body modes excited by the precession as predicted theoretically. The wavelength of the body mode which occurs in an internal helical twist is much shorter than that of the helical twist surface mode. We will present some comparisons between the RMHD simulations and theoretical predictions, and potential observables and discuss the effect of wind.

Mizuno, Y.↗

Synthesis,and structural characterization of [(CH3(C5H4N))Ga(SCH2(CO)O)]-[(4-MepyH)]+, a novel Ga(III) five coordinate complex.

The synthesis and structural characterization of a novel ionic Ga(III) five coordinate complex [{CH3(C5H4N)}Ga(SCH2(CO)O)2]-[(4-MepyH)]+, (4-Mepy = CH3(C5H5N)) from the reaction between Ga2Cl4 with sodium mercapto-acetic acid in 4-methylpyridine is described. Under basic reaction conditions the mercapto ligand is found to behave as a 2e- bidentate ligand. Single crystal X-ray diffraction studies show the complex to have a distorted square pyramidal geometry with the [(-SCH2(CO)CO-)] ligands in a trans conformation. The compound crystallizes in the P2(sub 1)/c (No. 14) space group with a = 7.7413(6) A, b = 16.744(2) A, c = 14.459(2) A, V = 1987.1(6) A(sup 3), R(F) = 0.032 and R(sub w) = 0.038.

Banger, Kulbinder K.↗

Ignition, Burning and Extinction of a Strained Fuel Strip with Complex Kinetics

Flame structure and ignition and extinction processes associated with a strained fuel strip are explored numerically using detailed transport and complex kinetics for a propane-air reaction. Ignition modes are identified that are similar to those predicted by one-step activation energy asymptotics, i.e., modes in which diffusion flames can ignite as independent or dependent interfaces and modes in which single premixed or partially premixed flames ignite and burn. These ignition modes have been found to be dependent on critical combinations of strain rate, fuel strip thickness and initial reactant temperatures. The formation of NO/NO2 is found to be strongly dependent on strain rate and the local molecular mixing of reactants which occurs as a consequence of strain. Extinction in this configuration is seen to occur due to fuel consumption by adjacent flames, although viscosity is seen to have the effect of delaying extinction by reducing the effective strain rate experienced by the flames. Response of the flames to oscillatory strain rates is seen to be strongly dependent on the amplitude and frequency of the oscillation.

Selerland, T.↗

Automated fiber placement composite manufacturing: The mission at MSFC's Productivity Enhancement Complex

Automated fiber placement is a manufacturing process used for producing complex composite structures. It is a notable leap to the state-of-the-art in technology for automated composite manufacturing. The fiber placement capability was established at the Marshall Space Flight Center's (MSFC) Productivity Enhancement Complex in 1992 in collaboration with Thiokol Corporation to provide materials and processes research and development, and to fabricate components for many of the Center's Programs. The Fiber Placement System (FPX) was developed as a distinct solution to problems inherent to other automated composite manufacturing systems. This equipment provides unique capabilities to build composite parts in complex 3-D shapes with concave and other asymmetrical configurations. Components with complex geometries and localized reinforcements usually require labor intensive efforts resulting in expensive, less reproducible components; the fiber placement system has the features necessary to overcome these conditions. The mechanical systems of the equipment have the motion characteristics of a filament winder and the fiber lay-up attributes of a tape laying machine, with the additional capabilities of differential tow payout speeds, compaction and cut-restart to selectively place the correct number of fibers where the design dictates. This capability will produce a repeatable process resulting in lower cost and improved quality and reliability.

Vickers, John H.↗

GENOA-PFA: Progressive Fracture in Composites Simulated Computationally

GENOA-PFA is a commercial version of the Composite Durability Structural Analysis (CODSTRAN) computer program that simulates the progression of damage ultimately leading to fracture in polymer-matrix-composite (PMC) material structures under various loading and environmental conditions. GENOA-PFA offers several capabilities not available in other programs developed for this purpose, making it preferable for use in analyzing the durability and damage tolerance of complex PMC structures in which the fiber reinforcements occur in two- and three-dimensional weaves and braids. GENOA-PFA implements a progressive-fracture methodology based on the idea that a structure fails when flaws that may initially be small (even microscopic) grow and/or coalesce to a critical dimension where the structure no longer has an adequate safety margin to avoid catastrophic global fracture. Damage is considered to progress through five stages: (1) initiation, (2) growth, (3) accumulation (coalescence of propagating flaws), (4) stable propagation (up to the critical dimension), and (5) unstable or very rapid propagation (beyond the critical dimension) to catastrophic failure. The computational simulation of progressive failure involves formal procedures for identifying the five different stages of damage and for relating the amount of damage at each stage to the overall behavior of the deteriorating structure. In GENOA-PFA, mathematical modeling of the composite physical behavior involves an integration of simulations at multiple, hierarchical scales ranging from the macroscopic (lamina, laminate, and structure) to the microscopic (fiber, matrix, and fiber/matrix interface), as shown in the figure. The code includes algorithms to simulate the progression of damage from various source defects, including (1) through-the-thickness cracks and (2) voids with edge, pocket, internal, or mixed-mode delaminations.

Murthy, Pappu L. N.↗

Haasttse‐baad Tessera Ring Complex: A Valhalla‐Type Impact Structure on Venus?

Abstract Venus preserves ∼1,000 impact craters, yet to date no impact basins larger than 300 km in diameter—common in the oldest terrains on Mercury, Mars and the Moon—are recognized on Venus. The tessera terrain is Venus' oldest recognized terrain. We describe a ∼1,500 km‐diameter concentric ring‐graben complex preserved on Haasttse‐baad Tessera, Venus that we identify as the Haasttse‐baad Tessera Ring Complex (HTRC). Based on geologic relations and numerical modeling, we propose that the HTRC may represent a Valhalla‐type multiring impact basin formed late during the evolution of its host ribbon‐tessera terrain (rtt). Formation of Valhalla‐type impact basins could involve a unique three‐layer target rheology with a thin elastic layer above a low viscosity layer above a deep strong layer. This multi‐layer rheological sandwich is consistent with crustal rheology previously proposed for the formation of Venus' rtt. If the HTRC is a Valhalla‐type impact basin, it would be Venus' oldest, and currently largest, impact structure, providing a rare window into Venus' ancient past and with implications for early crustal processes on Venus.

58 GEOSCIENCES↗

Modal Analysis and Testing of a Cantilever Beam: Results and Guide

This report discusses modal analysis and testing of a cantilever beam including an introduction to modal testing, simulation, analysis, and a comparison of results. An accompanying presentation can be found from the LLNL CASIS website. Modal testing and analysis are essential for characterizing the response of a structure during vibration environments. Determining natural frequencies and mode shapes helps determine whether resonances will be reached during operations and if so, how the structure will respond and how the response can be tuned. The goal of this work is to convey the basics of modal testing and analysis through a simple project. This can be applied later to more complex, applicable structures. This includes a variety of work including data collection, finite element analysis and data processing. For this project a cantilever beam was chosen because it is a simple, well-characterized structure.

42 ENGINEERING↗

STITCHED COMPOSITES WITH THREE-DIMENSIONAL STITCH PATHS

Stitched composites have been shown to exhibit damage tolerance and to reduce weight compared to traditional layered composites through unitization of the structure by elimination of fasteners. Stitching capabilities have been incorporated into the Integrated Structural Assembly of Advanced Composites (ISAAC) system at NASA Langley Research Center with the introduction of two stitching heads. Stitching path control was initially implemented as straight lines in space, as was done for previous stitching development. However, more complex stitched structures such as a wind tunnel blade or around cutouts within a fuselage or wing skin, require that the stitching paths be implemented as three-dimensional (3D) stitching paths in space. Unfortunately, control programming output by an existing preprocessor program cannot stitch these curved paths due to problems that arise in stitch formation and the introduction of side forces on the needles using the conventional programming approach whereby the head is simultaneously controlled through translations and rotations. This lack of capability is most significant for the single-sided stitching head, where two needles are in the preform at the same time for the majority of the stitching process. A means to program 3D stitching paths in space was developed whereby the translation and rotation of each stitch were decoupled, thereby eliminating the problems associated with current control programming approach. Using this newly developed stitching path definition and control programming, complex stitching paths have successfully been stitched at the ISAAC facility. The ability to stitch general 3D stitching paths in space enables the use of stitching on more complex parts.

carbon-epoxy↗

Stitched Composites with Three-Dimensional Stitch Paths

Stitched composites have been shown to exhibit damage tolerance and to reduce weight compared to traditional layered composites through unitization of the structure by elimination of fasteners. Stitching capabilities have been incorporated into the Integrated Structural Assembly of Advanced Composites (ISAAC) system at NASA Langley Research Center with the introduction of two stitching heads. Stitching path control was initially implemented as straight lines in space, as was done for previous stitching development. However, more complex stitched structures such as a wind tunnel blade or around cutouts within a fuselage or wing skin, require that the stitching paths be implemented as three-dimensional (3D) stitching paths in space. Unfortunately, control programming output by an existing preprocessor program cannot stitch these curved paths due to problems that arise in stitch formation and the introduction of side forces on the needles using the conventional programming approach whereby the head is simultaneously controlled through translations and rotations. This lack of capability is most significant for the single-sided stitching head, where two needles are in the preform at the same time for the majority of the stitching process. A means to program 3D stitching paths in space was developed whereby the translation and rotation of each stitch were decoupled, thereby eliminating the problems associated with current control programming approach. Using this newly developed stitching path definition and control programming, complex stitching paths have successfully been stitched at the ISAAC facility. The ability to stitch general 3D stitching paths in space enables the use of stitching on more complex parts.

carbon-epoxy↗