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NASA NTRSDate not supplied

Simulation of Lift plus Cruise Vehicle Models to Define a Full-Scale Crash Test Campaign

A series of dynamic simulations were completed on the National Aeronautics and Space Administration(NASA) Lift plus Cruise (LPC) concept electric Vertical Take-off and Landing (eVTOL) vehicle in preparation for an anticipated future full-scale crash-test campaign. The crash test campaign is envisioned as a data gathering exercise with an intent generating full-scale test data to inform eVTOL crashworthiness regulations, evaluate the use of energy absorbing concepts within vehicle design, and validate finite element modeling techniques used in crashworthiness predictions. This report discusses the two main objectives for the simulation efforts: the development of a structural cabin section, and a series of analyses utilized to determine the sensitivities of impact variables. A structural cabin section was created based from previous research efforts involving the LPC vehicle utilized for occupant response. To refine for the structural modifications, the wing and tail sections of the vehicle were removed. The tail was replaced with a representative mass at the aft of the fuselage. The overhead wing was replaced with a beam structure sized to approximate the bending response of the wing under crash loading conditions. The beam structure was fixed to the fuselage similar to the original Wingbox design in order to properly capture effects of this overhead mass on survivable volume within the vehicle. The fidelity of the fuselage frame structure within the FEM was increased to quantify the effect of frame sizing on structural response. From this an eVTOL test article design was developed, which satisfied basic crashworthiness requirements, was reconfigurable to assess the effect of various design avenues on structural response and optimized to improve manufacturability. The impact variable sensitivity results primarily show the orientation of the impact vector played a major role in types of injuries sustained, along with their severity. The vehicle was largely insensitive to small variations in pitch attitude but highly sensitive to both impact surface at certain angles and landing gear location.

eVTOL↗
NASA NTRS2003

Structural Basis for "Flip-Flop" Action of Human Pyruvate Dehydrogenase

The derivative of vitamin B1, thiamin pyrophosphate is a cofactor of pyruvate dehydrogenase, a component enzyme of the mitochondrial pyruvate dehydrogenase multienzyme complex that plays a major role in directing energy metabolism in the cell. This cofactor is used to cleave the C(sup alpha)-C(=O) bond of pyruvate followed by reductive acetyl transfer to lipoyl-dihydrolipoamide acetyltransferase. In alpha(sub 2)beta(sub 2)-tetrameric human pyruvate dehydrogenase, there are two cofactor binding sites, each of them being a center of independently conducted, although highly coordinated enzymatic reactions. The dynamic nonequivalence of two, otherwise chemically equivalent, catalytic sites can now be understood based on the recently determined crystal structure of the holo-form of human pyruvate dehydrogenase at 1.95A resolution. The structure of pyruvate dehydrogenase was determined using a combination of MAD phasing and molecular replacement followed by rounds of torsion-angles molecular-dynamics simulated-annealing refinement. The final pyruvate dehydrogenase structure included coordinates for all protein amino acids two cofactor molecules, two magnesium and two potassium ions, and 742 water molecules. The structure was refined to R = 0.202 and R(sub free) = 0.244. Our structural analysis of the enzyme folding and domain assembly identified a simple mechanism of this protein motion required for the conduct of catalytic action.

Ciszak, Ewa↗
NASA NTRS2000

Modal Analysis and Model Correlation of the Mir Space Station

This paper will discuss on-orbit dynamic tests, modal analysis, and model refinement studies performed as part of the Mir Structural Dynamics Experiment (MiSDE). Mir is the Russian permanently manned Space Station whose construction first started in 1986. The MiSDE was sponsored by the NASA International Space Station (ISS) Phase 1 Office and was part of the Shuttle-Mir Risk Mitigation Experiment (RME). One of the main objectives for MiSDE is to demonstrate the feasibility of performing on-orbit modal testing on large space structures to extract modal parameters that will be used to correlate mathematical models. The experiment was performed over a one-year span on the Mir-alone and Mir with a Shuttle docked. A total of 45 test sessions were performed including: Shuttle and Mir thruster firings, Shuttle-Mir and Progress-Mir dockings, crew exercise and pushoffs, and ambient noise during night-to-day and day-to-night orbital transitions. Test data were recorded with a variety of existing and new instrumentation systems that included: the MiSDE Mir Auxiliary Sensor Unit (MASU), the Space Acceleration Measurement System (SAMS), the Russian Mir Structural Dynamic Measurement System (SDMS), the Mir and Shuttle Inertial Measurement Units (IMUs), and the Shuttle payload bay video cameras. Modal analysis was performed on the collected test data to extract modal parameters, i.e. frequencies, damping factors, and mode shapes. A special time-domain modal identification procedure was used on free-decay structural responses. The results from this study show that modal testing and analysis of large space structures is feasible within operational constraints. Model refinements were performed on both the Mir alone and the Shuttle-Mir mated configurations. The design sensitivity approach was used for refinement, which adjusts structural properties in order to match analytical and test modal parameters. To verify the refinement results, the analytical responses calculated using original and refined math models were compared with the measured responses. The results from this study show that the refined models predict more accurately the dynamics of the actual structure. The MiSDE test and analysis results provided the information and experience on test design, flight testing, and data analysis for the ISS and other future spacecraft, which are critical to the verification of analytical models and structural loads.

Kim, Hyoung M.↗
DOE OSTI2025

Chemistry and Interfacial Structure Promoting Quasi-van der Waals Epitaxial Growth of WS 2 Nanosheets on Sapphire for Prospective Application in Field-Effect Transistors

How do chemical and structural modifications to the supporting crystal surface affect the subsequent van der Waals (vdW) or quasi(Q)-vdW epitaxial growth of 2D nanocrystals? Developing an atomic-scale picture of such an interfacial system is crucial for understanding its impact on the physical and chemical properties of the supported 2D materials. The elucidation of the interfacial structure and chemistry needed to promote the Q-vdW epitaxial growth of 2D tungsten disulfide (WS 2 ) nanocrystals contributes to the growth mechanism understanding, thus pushing forward the integration of such atomically thin semiconductors toward real field-effect transistor applications. In addition to an atomic-force microscopy top view, we showcase a combination of X-ray techniques for a top-to-bottom investigation of the complexities of the buried interface structures. Furthermore, this approach uses X-ray photoelectron spectroscopy, X-ray standing wave excited X-ray fluorescence, and crystal truncation rod scattering to produce a highly resolved chemical-state-specific 3D atomic map for the extended interface structure of WS 2 /α-Al 2 O 3 (001). Employing these detailed analysis methods, along with density functional theory to further refine the picoscale structure, we demonstrate how two different types of interface engineering during the pregrowth stage lead to significant differences in the chemical and structural modifications to the terminal surface of c-face sapphire, which in turn leads to substantial differences in the submonolayer growth of supported WS 2 2D nanocrystals in terms of lateral domain sizes, epitaxial registry, vdW gaps, and stability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unraveling the Molecular Origin of Prey-Wrapping Spider Silk's Unique Mechanical Properties and Assembly Process Using NMR

Prey wrapping spider silk's unique mechanical properties are investigated confirming the silk's high degree of extensibility and superior toughness compared to other types of spider silk. For the first time, the pre-spinning dope phase is studied in isotope-enriched intact aciniform (AC) silk glands using solution NMR that reveals a combination of α-helical domains linked by disordered random coil chains consistent with previously proposed “beads-on-a-string” models. The model is further refined through the AlphaFold2 protein structure prediction tool. Finally, extensive magic angle spinning (MAS) solid-state (SS) NMR data for isotopically-enriched fibers is used to refine the structural model for AC silk from two species, A. aurantia and A. argentata. The SSNMR data shows that the AC silk fibers are highly α-helical, coiled-coil in structure but, also exhibit significant β-sheet components that can be traced back to the Gly-rich disordered linker regions in the pre-spinning dope phase that are converted to β-sheet structures during fiber formation. This combination of mechanical and structural characterization enhances the understanding of AC silk's liquid-to-solid transition and structure-mechanics relationship. In conclusion, these prey wrap silk results and models will provide the basis for the design of biomimetic materials inspired by the AC spider silk system.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Melt spinning study

Containerless processing of materials provides an excellent opportunity to study nucleation phenomena and produce unique materials, primarily through the formation of metastable phases and deep undercoolings. Deep undercoolings can be readily achieved in falling drops of molten material. Extended solute solubilities and greatly refined microstructures can also be obtained in containerless processing experiments. The Drop Tube Facility at Marshall Space Flight Center has played an important role in enhancing that area of research. Previous experiments performed in the Drop Tube with refractory metals has shown very interesting microstructural changes associated with deep undercoolings. It is apparent also that the microstructure of the deep undercooled species may be changing due to the release of the latent heat of fusion during recalescence. For scientific purposes, it is important to be able to differentiate between the microstructures of the two types of metallic species. A review of the literature shows that although significant advances have been made with respect to the engineering aspects of rapid solidification phenomena, there is still much to be learned in terms of understanding the basic phenomena. The two major ways in which rapid solidification processing provides improved structures and hence improved properties are: (1) production of refined structures such as fine dendrites and eutectics, and (2) production of new alloy compositions, microstructures, and phases through extended solid solubility, new phase reaction sequences, and the formation of metallic-glass microstructures. The objective of this work has been to determine the optimal methodology required to extract this excess energy without affecting the thermo-physical parameters of the under-cooled melt. In normal containerless processing experiments recalescence occurs as the melt returns toward the melting point in order to solidify. A new type of experiment is sought in which the resultant microstructure of the undercooled species is frozen in without going through the melting point regime and subsequent near equilibrium solidification of the remaining liquid. This experimental approach entails the design of an appropriate melt spinning system which is compatible with Drop Tube operations and processing constraints. That work is the goal of this study.

Workman, Gary L.↗
DOE OSTI2025

Structure–property relations of binary ferrite melts

Molten ferrite systems are used in the smelting and refining processes in steelmaking, to reduce the loss of metals in slags and to accelerate reaction rates. Here, high-energy x-ray diffraction experiments have been performed on aerodynamically levitated molten spheres of 43BaO–57FeO X and 43SrO–57FeO X at 1873 K using laser beam heating. The composition was varied within the range of x = 1–1.5 by changing the oxygen partial pressure of the levitation gas. The corresponding x-ray pair distribution functions have been interpreted using empirical potential structure refinement (EPSR) modeling. In oxygen-rich melts (x = 1.5), our EPSR models indicate very similar structures for the different alkaline-earth liquids, with both the Ba–O and Sr–O coordination numbers to be ∼8.4 and the total Fe–O coordination numbers ∼5.7. However, our models show that in reducing environments, the Fe 3+ and Fe 2+ ions exhibit very different behaviors in the Ba- and Sr-ferrite liquids. In the Ba-ferrite melt, the Fe 3+ –O coordination number decreases from 5.7 (at x = 1.5) to 5.2 (at x = 1.07), whereas Fe 2+ –O remains constant at ∼5.0 across the same compositional range. In the Sr melts, both the Fe 2+ –O and Fe 3+ –O coordination numbers rise from ∼5.7 (at x = 1.5) to 6.3 (at x = 1.07). All models show the structures to be heterogeneous with intertwined nanometer sized clusters or channels of Ba/Sr–O and Fe–O polyhedra that grow as oxygen content is reduced. Changes in the viscosity and electrical properties are interpreted in terms of the number of bridging and non-bridging oxygens associated with FeO 4 tetrahedra and concentration of charge carriers, respectively.

Benmore, Chris J. [Argonne National Laboratory (AN↗
NASA NTRS1998

Variable-Complexity Multidisciplinary Optimization on Parallel Computers

This report covers work conducted under grant NAG1-1562 for the NASA High Performance Computing and Communications Program (HPCCP) from December 7, 1993, to December 31, 1997. The objective of the research was to develop new multidisciplinary design optimization (MDO) techniques which exploit parallel computing to reduce the computational burden of aircraft MDO. The design of the High-Speed Civil Transport (HSCT) air-craft was selected as a test case to demonstrate the utility of our MDO methods. The three major tasks of this research grant included: development of parallel multipoint approximation methods for the aerodynamic design of the HSCT, use of parallel multipoint approximation methods for structural optimization of the HSCT, mathematical and algorithmic development including support in the integration of parallel computation for items (1) and (2). These tasks have been accomplished with the development of a response surface methodology that incorporates multi-fidelity models. For the aerodynamic design we were able to optimize with up to 20 design variables using hundreds of expensive Euler analyses together with thousands of inexpensive linear theory simulations. We have thereby demonstrated the application of CFD to a large aerodynamic design problem. For the predicting structural weight we were able to combine hundreds of structural optimizations of refined finite element models with thousands of optimizations based on coarse models. Computations have been carried out on the Intel Paragon with up to 128 nodes. The parallel computation allowed us to perform combined aerodynamic-structural optimization using state of the art models of a complex aircraft configurations.

Grossman, Bernard↗
NASA NTRS2014

Structural Analysis Using NX Nastran 9.0

NX Nastran is a powerful Finite Element Analysis (FEA) software package used to solve linear and non-linear models for structural and thermal systems. The software, which consists of both a solver and user interface, breaks down analysis into four files, each of which are important to the end results of the analysis. The software offers capabilities for a variety of types of analysis, and also contains a respectable modeling program. Over the course of ten weeks, I was trained to effectively implement NX Nastran into structural analysis and refinement for parts of two missions at NASA's Kennedy Space Center, the Restore mission and the Orion mission.

NX Nastran↗
NASA NTRS1992

Adaptive finite element strategies for shell structures

The present paper extends existing finite element adaptive refinement (AR) techniques to shell structures, which have heretofore been neglected in the AR literature. Specific challenges in applying AR to shell structures include: (1) physical discontinuities (e.g., stiffener intersections); (2) boundary layers; (3) sensitivity to geometric imperfections; (4) the sensitivity of most shell elements to mesh distortion, constraint definition and/or thinness; and (5) intrinsic geometric nonlinearity. All of these challenges but (5) are addressed here.

Stanley, G.↗
NASA NTRS1993

An adaptive mesh-moving and refinement procedure for one-dimensional conservation laws

We examine the performance of an adaptive mesh-moving and /or local mesh refinement procedure for the finite difference solution of one-dimensional hyperbolic systems of conservation laws. Adaptive motion of a base mesh is designed to isolate spatially distinct phenomena, and recursive local refinement of the time step and cells of the stationary or moving base mesh is performed in regions where a refinement indicator exceeds a prescribed tolerance. These adaptive procedures are incorporated into a computer code that includes a MacCormack finite difference scheme wih Davis' artificial viscosity model and a discretization error estimate based on Richardson's extrapolation. Experiments are conducted on three problems in order to qualify the advantages of adaptive techniques relative to uniform mesh computations and the relative benefits of mesh moving and refinement. Key results indicate that local mesh refinement, with and without mesh moving, can provide reliable solutions at much lower computational cost than possible on uniform meshes; that mesh motion can be used to improve the results of uniform mesh solutions for a modest computational effort; that the cost of managing the tree data structure associated with refinement is small; and that a combination of mesh motion and refinement reliably produces solutions for the least cost per unit accuracy.

Biswas, Rupak↗
NASA NTRS2018

Implementation of Fiber Optic Sensing System on Sandwich Composite Cylinder Buckling Test

The National Aeronautics and Space Administration (NASA) Engineering and Safety Center Shell Buckling Knockdown Factor Project is a multicenter project tasked with developing new analysis-based shell buckling design guidelines and design factors (i.e., knockdown factors) through high-fidelity buckling simulations and advanced test technologies. To validate these new buckling knockdown factors for future launch vehicles, the Shell Buckling Knockdown Factor Project is carrying out structural testing on a series of large-scale metallic and composite cylindrical shells at the NASA Marshall Space Flight Center (Marshall Space Flight Center, Alabama). A fiber optic sensor system was used to measure strain on a large-scale sandwich composite cylinder that was tested under multiple axial compressive loads up to more than 850,000 lb, and equivalent bending loads over 22 million in-lb. During the structural testing of the composite cylinder, strain data were collected from optical cables containing distributed fiber Bragg gratings using a custom fiber optic sensor system interrogator developed at the NASA Armstrong Flight Research Center. A total of 16 fiber-optic strands, each containing nearly 1,000 fiber Bragg gratings, measuring strain, were installed on the inner and outer cylinder surfaces to monitor the test article global structural response through high-density real-time and post test strain measurements. The distributed sensing system provided evidence of local epoxy failure at the attachment-ring-to-barrel interface that would not have been detected with conventional instrumentation. Results from the fiber optic sensor system were used to further refine and validate structural models for buckling of the large-scale composite structures. This paper discusses the techniques employed for real-time structural monitoring of the composite cylinder for structural load introduction and distributed bending-strain measurements over a large section of the cylinder by utilizing unique sensing capabilities of fiber optic sensors.

FOS↗
DOE OSTI2026

Metal–bicarbonate ion pairing in alkaline aqueous solutions from multilevel embedded correlated wavefunction theory and molecular dynamics

In this work, we examine ion-pairing mechanisms of bicarbonates in alkaline aqueous solutions with the divalent metal ions most abundantly present in seawater, namely, Ca 2+ and Mg 2+ . We employ a rare-event enhanced sampling approach within first-principles molecular dynamics to explore regions of phase space spanning solvent-shared to contact ion pairs. Second-order Møller–Plesset perturbation theory (MP2) corrections are subsequently applied in an embedding framework (EMB) to refine the electronic structure of stationary states and associated reaction barriers along the free-energy profiles while retaining the extended solvent effects at the density functional theory (DFT) level. Ca 2+ –HCO 3 − was previously hypothesized to exist in a solvent-shared ion pair (SSHIP) by DFT studies with an endergonic contact ion pair (CIP) formation; however, our EMB-MP2 refinement of the DFT ion-pairing pathways reveals that Ca 2+ and HCO 3 − form a virtually barrier-free CIP in alkaline solutions, with even more energetic ease than the widely studied Ca–CO 3 ion pair. We find qualitative agreement between DFT and EMB-MP2 for Mg 2+ —unlike Ca 2+ , Mg 2+ refuses to shed its strong hydration shell, thereby preferring a SSHIP state with a significant activation barrier to crossover to the CIP forms—a trait reminiscent of ion pairing in Mg–CO 3 and closely related to the kinetic limitations underlying the famous subject of the dolomite problem. Our study highlights the importance of improved electronic structure descriptions of liquids, modeled as a condensed phase of matter lacking in long-range crystalline order. It also strongly suggests that Ca 2+ –HCO 3 − CIPs are likely precursors involved in prenucleation of CaCO 3 mineral formation in seawater.

Sharma, Vidushi [Princeton Plasma Physics Laborato↗
DOE OSTI2025

High-resolution neutron diffraction determination of noncollinear antiferromagnetic order in the honeycomb magnetoelectric Fe 4 ⁢Nb 2⁢ O 9

Magnetoelectric systems offer potential for device applications exploiting coupled states between electric and magnetic properties. Among magnetoelectric materials, Fe 4 ⁢Nb 2 ⁢O 9 has attracted special attention because of its pronounced dielectric signal at high magnetic transition temperatures. However, the magnetic ground state, which is essential information for understanding its unusual magnetoelectricity, remains unclarified. Here, we report a noncollinear magnetic ground state of Fe 4 ⁢Nb 2 ⁢O 9 . To examine the magnetoelectric effect associated with sequential magnetic and structural transitions upon cooling, we conducted combined x-ray diffraction, magnetic susceptibility, magnetization, dielectric constant, and magnetodielectric experiments. Powder neutron diffraction experiments revealed a series of magnetic Bragg peaks and clear splitting of peaks via structural transition. Magnetic Rietveld refinements, combined with group theory analysis, determined a noncollinear antiferromagnetic structure including a significant 𝑐-axis moment component at 1.5 K. This article provides insights into the understanding of its magnetoelectric properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Incremental triangulation by way of edge swapping and local optimization

This document is intended to serve as an installation, usage, and basic theory guide for the two dimensional triangulation software 'HARLEY' written for the Silicon Graphics IRIS workstation. This code consists of an incremental triangulation algorithm based on point insertion and local edge swapping. Using this basic strategy, several types of triangulations can be produced depending on user selected options. For example, local edge swapping criteria can be chosen which minimizes the maximum interior angle (a MinMax triangulation) or which maximizes the minimum interior angle (a MaxMin or Delaunay triangulation). It should be noted that the MinMax triangulation is generally only locally optical (not globally optimal) in this measure. The MaxMin triangulation, however, is both locally and globally optical. In addition, Steiner triangulations can be constructed by inserting new sites at triangle circumcenters followed by edge swapping based on the MaxMin criteria. Incremental insertion of sites also provides flexibility in choosing cell refinement criteria. A dynamic heap structure has been implemented in the code so that once a refinement measure is specified (i.e., maximum aspect ratio or some measure of a solution gradient for the solution adaptive grid generation) the cell with the largest value of this measure is continually removed from the top of the heap and refined. The heap refinement strategy allows the user to specify either the number of cells desired or refine the mesh until all cell refinement measures satisfy a user specified tolerance level. Since the dynamic heap structure is constantly updated, the algorithm always refines the particular cell in the mesh with the largest refinement criteria value. The code allows the user to: triangulate a cloud of prespecified points (sites), triangulate a set of prespecified interior points constrained by prespecified boundary curve(s), Steiner triangulate the interior/exterior of prespecified boundary curve(s), refine existing triangulations based on solution error measures, and partition meshes based on the Cuthill-McKee, spectral, and coordinate bisection strategies.

Wiltberger, N. Lyn↗
NASA NTRS2000

Stress Recovery and Error Estimation for Shell Structures

The Penalized Discrete Least-Squares (PDLS) stress recovery (smoothing) technique developed for two dimensional linear elliptic problems is adapted here to three-dimensional shell structures. The surfaces are restricted to those which have a 2-D parametric representation, or which can be built-up of such surfaces. The proposed strategy involves mapping the finite element results to the 2-D parametric space which describes the geometry, and smoothing is carried out in the parametric space using the PDLS-based Smoothing Element Analysis (SEA). Numerical results for two well-known shell problems are presented to illustrate the performance of SEA/PDLS for these problems. The recovered stresses are used in the Zienkiewicz-Zhu a posteriori error estimator. The estimated errors are used to demonstrate the performance of SEA-recovered stresses in automated adaptive mesh refinement of shell structures. The numerical results are encouraging. Further testing involving more complex, practical structures is necessary.

Yazdani, A. A.↗
NASA NTRS2000

Interactive Software System Developed to Study How Icing Affects Airfoil Performance (Phase 1 Results)

SmaggIce (Surface Modeling and Grid Generation for Iced Airfoils), which is being developed at the NASA Glenn Research Center at Lewis Field, is an interactive software system for data probing, boundary smoothing, domain decomposition, and structured grid generation and refinement. All these steps are required for aerodynamic performance prediction using structured, grid-based computational fluid dynamics (CFD), as illustrated in the following figure. SmaggIce provides the underlying computations to perform these functions, as well as a graphical user interface to control and interact with them, and graphics to display the results.

Choo, Yung K.↗