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At least 1,261 records · Page 70

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Unusual aliovalent doping effects on oxygen non-stoichiometry in medium-entropy compositionally complex perovskite oxides

Aliovalent doping of perovskite oxides can tune the oxygen vacancy formation energy. This work discovers normal vs. abnormal aliovalent doping effects on redox behaviors in medium-entropy compositionally complex perovskite oxides (CCPOs) (La 1–x Sr x )(Mn 1/3 Fe 1/3 Ti 1/3 )O 3–δ (LS_MFT) vs. (La 1–x Sr x )(Mn 1/3 Fe 1/3 Cr 1/3 )O 3–δ (LS_MFC). In the LS_MFC series, the oxygen non-stoichiometry range Δδ (= δ red – δ ox ) linearly depends on the Sr molar ratio x, while the LS_MFT series shows a V-shape dependence of Δδ on x. This unusual observation is investigated and explained based on the analysis of the energy loss near edge structure (ELNES) in STEM electron energy loss spectroscopy, along with density functional theory (DFT) calculations. In LS_MFC, Cr–L 2,3 , Mn–L 2,3 and Fe–L 2,3 peaks have a similar linear shift to higher energy with increasing x, which indicates higher oxidation states of Cr, Mn, and Fe with lower oxygen vacancy formation energies. In LS_MFT, the V-shape of the Δδ vs. x curve is caused by the stable Ti 4+ state and a V-shape Mn/Fe valency dependence on x. Furthermore, this study suggests the possible existence of different (including unexpected) coupled aliovalent doping effects in CCPOs with multiple B-site redox active elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

Analysis and test of superplastically formed titanium hat-stiffened panels under compression

Four hat-stiffened titanium panels with two different stiffener configurations were fabricated by superplastic forming/weld brazing and tested under a moderately heavy compressive load. The panels had the same overall dimensions but differed in the shape of the hat-stiffener webs; three panels had stiffeners with flat webs and the other panel had stiffeners with beaded webs. Analysis indicated that the local buckling strain of the flat stiffener web was considerably lower than the general panel buckling strain or cap buckling strain. The analysis also showed that beading the webs of the hat stiffeners removed them as the critical element for local buckling and improved the buckling strain of the panels. The analytical extensional stiffness and failure loads compared very well with experimental results.

Davis, Randall C.↗

NASA NTRS1988

Aeroelastic response of metallic and composite propfan models in yawed flow

An analytical investigation of aeroelastic response of metallic and composite propfan models in yawed flow was performed. The analytical model is based on the normal modes of a rotating blade and the three dimensional unsteady lifting surface aerodynamic theory including blade mistuning. The calculated blade stresses or strains are compared with published wind tunnel data on two metallic and three composite propfan wind tunnel models. The comparison shows a good agreement between theory and experiment. Additional parametric results indicate that blade response is very sensitive to the blade stiffness and also to blade frequency and mode shape mistuning. From these findings, it is concluded that both frequency and mode shape mistuning should be included in aeroelastic response analysis. Furthermore, both calculated and measured strains show that combined blade frequency and mode shape mistuning has beneficial effects on response due to yawed flow.

Kaza, Krishna Rao V.↗

NASA NTRS1990

Shape optimization for maximum stability and dynamic stiffness

Any optimization of structures for maximum stability or for maximum dynamic stiffness deals with an eigenvalue problem. The goal of this optimization is to raise the lowest eigenvalue (or eigenvalues) of the problem to its highest (optimal) level at a constant volume of the structure. Likely the lowest eigenvalue may be either inherently multi-modal or it can become multi-modal as a result of the optimization process. The multimodeness introduces some ambiguity to the eigenvalue problem and make the optimization difficult to handle. Thus far, only the simplest cases of multi-modal structures have been effectively optimized using rather elaborate analytical methods. Numerous publications report design of a minimum volume structure with different eigenvalues constraints, in which, however, the modality of the problem is assumed a priori. The method presented here utilizes a multi-modal optimality criteria and allows for inclusion of an arbitrary number of buckling or vibrations modes which might influence the optimization process. The real multi-modality of the problem, that is the number of modes participating in the final optimal design is determined iteratively. Because of a natural use of the FEM technique the method is easy to program and might be helpful in design of large flexible space structures.

Szyszkowski, W.↗

DOE OSTI2025

Efficient calculation of self magnetic field, self-force, and self-inductance for electromagnetic coils with rectangular cross-section

Abstract For designing high-field electromagnets, the Lorentz force on coils needs to be computed in order to design suitable support structures, and the inductance should be computed to evaluate the stored energy and dynamics. Also, the magnetic field and its variation inside the conductor is of interest for computing stress and strain, and due to superconducting quench limits. For these force, inductance, energy, and internal field calculations, the coils cannot be naively approximated as infinitesimally thin filaments due to divergences when the source and evaluation points coincide, so more computationally demanding calculations are usually required, resolving the finite cross-section of the conductors. Here, we present a new alternative method that enables the internal magnetic field vector, self-force, and self-inductance to be computed rapidly and accurately within a 1D filament model. The method is applicable to coils for which the curve center-line can have general noncircular shape, as long as the conductor width is small compared to the radius of curvature. This paper extends a previous calculation for circular-cross-section conductors (Hurwitz et al 2024 IEEE Trans. Magn. ) to consider the case of rectangular cross-section. The reduced model is derived by rigorous analysis of the singularity, regularizing the filament integrals such that they match the true high-dimensional integrals at high coil aspect ratio. The new filament model exactly recovers analytic results for a circular coil, and is shown to accurately reproduce full finite-cross-section calculations for a non-planar coil of a stellarator magnetic fusion device. Due to the efficiency of the model here, it is well suited for use inside design optimization.

Landreman, Matt (ORCID:000000027233577X)↗

DOE OSTI2022

Instabilities of a vortex-ring-bright soliton in trapped binary three-dimensional Bose-Einstein condensates

Instabilities of vortex-ring-bright coherent structures in harmonically trapped two-component three-dimensional Bose-Einstein condensates are studied numerically within the coupled Gross-Pitaevskii equations and interpreted analytically. Interestingly, the filled vortex core with a sufficiently large amount of the bright component is observed to reduce the parametric interval of stability of the vortex ring. Here, we have identified the mechanisms of several linear instabilities and one nonlinear parametric instability in this connection. Two of the linear instabilities are qualitatively different from ones reported earlier and are associated with azimuthal modes of m = 0 and m = 1, i.e., deviations of the vortex from the stationary ring shape. Our nonlinear parametric resonance instability occurs between the m = 0 and m = 2 modes and signals the exchange of energy between them.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Pit Stability Predictions of Additively Manufactured SS316 Surfaces Using Finite Element Analysis

Stainless steels are susceptible to localized forms of corrosion attack, such as pitting. The size and lifetime of a nucleated pit can vary, depending on a critical potential or current density criterion, which determines if the pit repassivates or continues growing. This work uses finite element method (FEM) modeling to compare the critical pit radii predicted by thermodynamic and kinetic repassivation criteria. Experimental electrochemical boundary conditions are used to capture the active pit kinetics. Geometric and environmental parameters, such as the pit shape and size (analogous to additively manufactured lack-of-fusion pores), solution concentration, and water layer thickness were considered to assess their impact on the pit repassivation criterion. The critical pit radius (the transition point from stable growth to repassivation) predicted for a hemispherical pit was larger when using the repassivation potential (E rp ) criteria, as opposed to the current density criteria (pit stability product). Including both the pit stability product and E rp into its calculations, the analytical maximum pit model predicted a critical radius two times more conservative than the FEA approach, under the conditions studied herein. The complex pits representing lack-of-fusion pores were shown to have minimal impact on the critical radius in atmospheric conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1979

Investigation of aerodynamic characteristics of subsonic wings

An analytical strake design procedure is investigated. A numerical solution to the governing strake design equation is used to generate a series of strakes which are tested in a water tunnel to study their vortex breakdown characteristics. The strakes are scaled for use on a half-scale model of the NASA-LaRC general research fuselage with a 44 degrees trapezoidal wing. An analytical solution to the governing design equation is obtained. The strake design procedure relates the potential-flow leading-edge suction and pressure distributions to vortex stability. Several suction distributions are studied and those which are more triangular and peak near the tip generate strakes that reach higher angles of attack before vortex breakdown occurs at the wing trailing edge. For the same suction distribution, a conical rather than three dimensional pressure specification results in a better strake shape as judged from its vortex breakdown characteristics.

Dejarnette, F. R.↗

NASA NTRS1988

Aeroelastic response of metallic and composite propfan models in yawed flow

An analytical investigation of aeroelastic response of metallic and composite propfan models in yawed flow was performed. The analytical model is based on the normal modes of a rotating blade and the three-dimensional unsteady lifting surface aerodynamic theory including blade mistuning. The calculated blade stresses or strains are compared with published wind tunnel data on two metallic and three composite propfan wind tunnel models. The comparison shows a good agreement between theory and experiment. Additional parametric results indicate that blade response is very sensitive to the blade stiffness and also to blade frequency and mode shape mistuning. From these findings, it is concluded that both frequency and mode shape mistuning should be included in aeroelastic response analysis. Furthermore, both calculated and measured strains show that combined blade frequency and mode shape mistuning has beneficial effects on response due to yawed flow.

Kaza, Krishna Rao↗

NASA NTRS1994

Radiation by cavity-backed antennas on a circular cylinder

Conformal antenna arrays are popular antennas for aircraft, spacecraft and land vehicle platforms due to their inherent low weight, cost and drag properties. However, to date there has been a dearth of rigorous analytical or numerical solutions to aid the designer. In fact, it has been common practice to use limited measurements and planar approximations in designing such non-planar antennas. The finite element-boundary integral method is extended to radiation by cavity-backed structures in an infinite, metallic cylinder. The formulation is used to investigate the effect of cavity size on the radiation pattern for typical circumferentially and axially polarized patch antennas. Curvature effect on the gain, pattern shape, and input impedance is also studied. Finally, the accuracy of the FE-BI approach for a microstrip patch array is demonstrated.

Kempel, Leo C.↗

NASA NTRS2004

Constraints on Early Mars Evolution and Dichotomy Origin from Relaxation Modeling of Dichotomy Boundary in the Ismenius Region

The Martian dichotomy is a global feature separating the northern and southern hemispheres. The 3.5 - 4 Gyr old feature is manifested by a topographic difference of 2-6 km and crustal thickness difference of approx. 15 - 30 km between the two hemispheres. In the Ismenius region, sections of the boundary are characterized by a single scarp with a slope of approx. 20 deg. - 23 deg. and are believed to be among the most well preserved parts of the dichotomy boundary. The origin of the dichotomy is unknown. Endogenic hypotheses do not predict the steep slopes (scarps) of the dichotomy boundary. Exogenic models for forming the northern lowlands by impact cratering, associate the scarps along the dichotomy boundary with craters' rims, but are not globally consistent with the topography and gravity. In order to better understand the origin of the Martian dichotomy, it is necessary to know if the steep scarps along the boundary represent the original shape of the dichotomy. Smrekar et al. presented evidence showing that the boundary scarp in Ismenius is a fault along which the highland crust was down faulted. We test whether the relaxation process could produce faulting along the dichotomy boundary and examine the crustal and mantle conditions that would allow for faulting to occur within 1 Gyr and preserve the long wavelength topography over another 3 Gyr. We approach the problem by a combination of numerical and semi-analytical modeling. We test different viscosity profiles and crustal thicknesses by comparing our modeled magnitude, location and timing of plastic strain and displacements to detailed geologic observations in the Ismenius region.

Guest, A.↗

DOE OSTI2021

Electrical conductivity of porous binary powder mixtures

Simultaneous data of the quasi-static compaction and electrical conductivity of porous, binary powder mixtures have been collected as a function of bulk density. The powder mixtures consist of a metal conductor, either titanium or iron, an insulator, and pores filled with ambient air. The data show a dependency of the conductivity in terms of relative bulk density and metal volume fraction on conductor type and conductor particle characteristics of size and shape. Finally, finite element models using particle domains generated by discrete element method are used to simulate the bulk conductivity near its threshold while the general effective media equation is used to model the conductivity across the compression regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases

The widespread design of covalent drugs has focused on crafting reactive groups of proper electrophilicity and positioning towards targeted amino-acid nucleophiles. In this work, we found that environmental electric fields projected onto a reactive chemical bond, an overlooked design element, play essential roles in the covalent inhibition of TEM-1 beta-lactamase by avibactam. Using the vibrational Stark effect, the magnitudes of the electric fields that are exerted by TEM active sites onto avibactam’s reactive C=O were measured and demonstrate an electrostatic gating effect that promotes bond formation yet relatively suppresses the reverse dissociation. These results suggest new principles of covalent drug design and off-target site prediction. Unlike shape and electrostatic complementary which address binding constants, electrostatic catalysis drives reaction rates, essential for covalent inhibition, and deepens our understanding of chemical reactivity, selectivity, and stability in complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Crystal structures of polymerized lithium chloride and dimethyl sulfoxide in the form of {2LiCl·3DMSO} n and {LiCl·DMSO} n

Two novel LiCl·DMSO polymer structures were created by combining dry LiCl salt with dimethyl sulfoxide (DMSO), namely, catena-poly[[chloridolithium(I)]-μ-(dimethyl sulfoxide)-κ 2 O:O-[chloridolithium(I)]-di-μ-(dimethyl sulfoxide)-κ 4 O:O], [Li 2 Cl 2 (C 2 H 6 OS) 3 ]n, and catena-poly[lithium(I)-μ-chlorido-μ-(dimethyl sulfoxide)-κ 2 O:O], [LiCl(C 2 H 6 OS)]n. The initial synthesized phase had very small block-shaped crystals (<0.08 mm) with monoclinic symmetry and a 2 LiCl: 3 DMSO ratio. As the solution evaporated, a second phase formed with a plate-shaped crystal morphology. After about 20 minutes, large (>0.20 mm) octahedron-shaped crystals formed. The plate crystals and the octahedron crystals are the same tetragonal structure with a 1 LiCl: 1 DMSO ratio. These structures are reported and compared to other known LiCl·solvent compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Facet-selective etching trajectories of individual semiconductor nanocrystals

The size and shape of semiconductor nanocrystals govern their optical and electronic properties. Liquid cell transmission electron microscopy (LCTEM) is an emerging tool that can directly visualize nanoscale chemical transformations and therefore inform the precise synthesis of nanostructures with desired functions. However, it remains difficult to controllably investigate the reactions of semiconductor nanocrystals with LCTEM, because of the highly reactive environment formed by radiolysis of liquid. Here, we harness the radiolysis processes and report the single-particle etching trajectories of prototypical semiconductor nanomaterials with well-defined crystalline facets. Lead selenide nanocubes represent an isotropic structure that retains the cubic shape during etching via a layer-by-layer mechanism. The anisotropic arrow-shaped cadmium selenide nanorods have polar facets terminated by either cadmium or selenium atoms, and the transformation trajectory is driven by etching the selenium-terminated facets. LCTEM trajectories reveal how nanoscale shape transformations of semiconductors are governed by the reactivity of specific facets in liquid environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

An Abrasive Wear Model of Knife Milling to Predict the Impact of Material Properties and Milling Parameters on Knife Edge Recession

A workable analytical abrasion model that relates critical knife-mill process parameters (geometry and rotational speed) to critical material attributes of inorganic mineral species in feedstock (density, size, and aspect ratio) and substrate (hardness and elastic modulus) was formulated to model wear of knives in knife-milling systems. Results of the model were compared to experimental observations of the edge recession of knives used in a knife mill marketed by Eberbach. Results showed good agreement between the predicted and measured shape of a worn knife and showed that a quality-by-design approach can be developed to predict component reliability based on scientific engineering principles in lieu of trial-and-error approaches.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Methodology For Determining The Effective Aircraft Impact Area For Irregularly Shaped Facilities

This report presents a computational methodology for determining the effective aircraft impact area for irregularly shaped facilities, extending the approach in Department of Energy (DOE) Standard 3014 by decomposing “critical areas” into multiple rectangular nodes rather than relying on a single bounding cuboid. This method reduces unnecessary conservatism that can arise when non-critical space is enveloped by a single footprint. The facility’s critical areas are partitioned into nodes of constant height, a baseline aircraft impact trajectory is established, and the facility perspective is rotated to accommodate arbitrary heading angles. For each node, analytic expressions are provided to construct the node-specific effective impact polygon that accounts for skid distance, structural footprint, fly-in (shadow) region driven by building height and descent angle, and wingspan offsets capturing wing-only strikes.

42 ENGINEERING↗

NASA NTRS2015

Scaling Relation for Occulter Manufacturing Errors

An external occulter is a spacecraft own along the line-of-sight of a space telescope to suppress starlight and enable high-contrast direct imaging of exoplanets. The shape of an external occulter must be specially designed to optimally suppress starlight and deviations from the ideal shape due to manufacturing errors can result loss of suppression in the shadow. Due to the long separation distances and large dimensions involved for a space occulter, laboratory testing is conducted with scaled versions of occulters etched on silicon wafers. Using numerical simulations for a flight Fresnel occulter design, we show how the suppression performance of an occulter mask scales with the available propagation distance for expected random manufacturing defects along the edge of the occulter petal. We derive an analytical model for predicting performance due to such manufacturing defects across the petal edges of an occulter mask and compare this with the numerical simulations. We discuss the scaling of an extended occulter test-bed.

Sirbu, Dan↗