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NASA NTRS1986

Design sensitivity analysis using EAL. Part 1: Conventional design parameters

A numerical implementation of design sensitivity analysis of builtup structures is presented, using the versatility and convenience of an existing finite element structural analysis code and its database management system. The finite element code used in the implemenatation presented is the Engineering Analysis Language (EAL), which is based on a hybrid method of analysis. It was shown that design sensitivity computations can be carried out using the database management system of EAL, without writing a separate program and a separate database. Conventional (sizing) design parameters such as cross-sectional area of beams or thickness of plates and plane elastic solid components are considered. Compliance, displacement, and stress functionals are considered as performance criteria. The method presented is being extended to implement shape design sensitivity analysis using a domain method and a design component method.

Dopker, B.↗

NASA NTRS1975

Modeling damaged wings: Element selection and constraint specification

The NASTRAN analytical program was used for structural design, and no problems were anticipated in applying this program to a damaged structure as long as the deformations were small and the strains remained within the elastic range. In this context, NASTRAN was used to test three-dimensional analytical models of a damaged aircraft wing under static loads. A comparison was made of calculated and experimentally measured strains on primary structural components of an RF-84F wing. This comparison brought out two sensitive areas in modeling semimonocoque structures. The calculated strains were strongly affected by the type of elements used adjacent to the damaged region and by the choice of multipoint constraints sets on the damaged boundary.

Stronge, W. J.↗

NASA NTRS1994

Effective conductivity of wire mesh reflectors for space deployable antenna systems

This report summarizes efforts to characterize the measurement of conductive mesh and smooth surfaces using proximity measurements for a dielectric resonator. The resonator operates in the HEM11 mode and is shown to have an evanescent field behavior in the vicinity of the sample surface, raising some question to the validity of measurements requiring near normal incidence on the material. In addition, the slow radial field decay outside of the dielectric resonator validates the sensitivity to the planar supporting structure and potential radiation effects. Though these concerns become apparent along with the sensitivity to the gap between the dielectric and the material surface, the basic concept of the material measurement using dielectric resonators has been verified for useful comparison of material surface properties. The properties, particularly loss, may be obtained by monitoring the resonant frequency along with the resonator quality factor (Q), 3 dB bandwidth, or the midband transmission amplitude. Comparison must be made to known materials to extract the desired data.

Davis, William A.↗

DOE OSTI2019

Hybrid X-ray Spectroscopy-Based Approach To Acquire Chemical and Structural Information of Single-Walled Carbon Nanotubes with Superior Sensitivity

High-resolution nondestructive chemical analysis of both bulk and surface of application-ready carbon nanomaterials is needed to connect the material properties to the observed performance. This is needed to enable application-specific tailoring of carbon nanomaterials. However, detailed studies of effects of oxidizing treatments on the chemical composition and structural integrity of carbon and on the metal seed materials are rare. Here we show a hybrid X-ray-based study retrieving this hard-to-access chemical and structural information of application-ready ferrocene-grown single-walled carbon nanotubes and their nitric acid- and oxygen plasma-treated versions. We have executed photoelectron, absorption, and X-ray emission spectroscopy (XES) measurements in the soft X-ray regime providing chemical and structural information with high energy resolution and throughput. We observed that the nitric acid treatment did not significantly alter the chemical state of the carbon matrix, whereas the oxygen plasma treatment was associated with strong effects and chemical conversions toward oxygen-functionalized groups such as carboxyl. Additionally, an Fe catalyst was present before and after the oxidizing treatments at considerable concentrations as detected by both X-ray absorption spectroscopy and XES, with a near complete conversion of Fe 2+ to Fe 3+ . Additional minor elements (metals <0.1 at. %) were detected only with XES. With this combined approach, we can study the effect of different treatments on application-ready carbon nanomaterials’ physicochemical and structural properties with unmatched precision, which helps understand the nature of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Structural basis of impaired disaggregase function in the oxidation-sensitive SKD3 mutant causing 3-methylglutaconic aciduria

Abstract Mitochondria are critical to cellular and organismal health. To prevent damage, mitochondria have evolved protein quality control machines to survey and maintain the mitochondrial proteome. SKD3, also known as CLPB, is a ring-forming, ATP-fueled protein disaggregase essential for preserving mitochondrial integrity and structure. SKD3 deficiency causes 3-methylglutaconic aciduria type VII (MGCA7) and early death in infants, while mutations in the ATPase domain impair protein disaggregation with the observed loss-of-function correlating with disease severity. How mutations in the non-catalytic N-domain cause disease is unknown. Here, we show that the disease-associated N-domain mutation, Y272C, forms an intramolecular disulfide bond with Cys267 and severely impairs SKD3 Y272C function under oxidizing conditions and in living cells. While Cys267 and Tyr272 are found in all SKD3 isoforms, isoform-1 features an additional α-helix that may compete with substrate-binding as suggested by crystal structure analyses and in silico modeling, underscoring the importance of the N-domain to SKD3 function.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Angstrom-Resolved Interfacial Structure in Buried Organic-Inorganic Junctions

Charge transport processes at interfaces which are governed by complex interfacial electronic structure play a crucial role in catalytic reactions, energy storage, photovoltaics, and many biological processes. Here, the first soft X-ray second harmonic generation (SXR-SHG) interfacial spectrum of a buried interface (boron/Parylene-N) is reported. SXR-SHG shows distinct spectral features that are not observed in X-ray absorption spectra, demonstrating its extraordinary interfacial sensitivity. Comparison to electronic structure calculations indicates a boron-organic separation distance of 1.9 {\AA}, wherein changes as small as 0.1 {\AA} result in easily detectable SXR-SHG spectral shifts (ca. 100s of meV). As SXR-SHG is inherently ultrafast and sensitive to individual atomic layers, it creates the possibility to study a variety of interfacial processes, e.g. catalysis, with ultrafast time resolution and bond specificity.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2017

Structural health monitoring of compression connectors for overhead transmission lines

Two-stage aluminum conductor steel-reinforced (ACSR) compression connectors are extensively used in US overhead transmission lines. The connectors are made by crimping a steel sleeve onto a steel core and an aluminum sleeve over aluminum conductive strands. The connectors are designed to operate at temperatures up to 125 C, but their performance is increasingly degrading because of overloading of lines. Currently, electric utilities conduct routine line inspections using thermal and electrical measurements. However, information about the structural integrity of connectors cannot be obtained. In this work, structural health monitoring (SHM) of compression connectors was studied using electromechanical impedance (EMI) analysis. Lead zirconate titanate (PZT)-5A was identified as a smart material for SHM. A flexible high-temperature bonding layer was used to address challenges in PZT integration due to a significant difference in the coefficients of thermal expansion of PZT and the aluminum substrate. The steel joint on the steel core was investigated because it is responsible for the ultimate tensile strength of the connector. Tensile testing was used to create structural damage to the joint, or steel core pullout, and thermal cycling introduced additional structural perturbations. EMI measurements were conducted between the tests. The root mean square deviation (RMSD) of EMI was identified as a damage index. The use of steel joints has been shown to enable SHM under simulated conditions. The EMI signature is sensitive to variations in structural conditions. RMSD can be correlated to the structural health of a connector and has potential for use in the SHM and structural integrity evaluation.

compression connectors↗

NASA NTRS1998

Summary of Research Report

Ten papers, published in various publications, on buckling, and the effects of imperfections on various structures are presented. These papers are: (1) Buckling mode localization in elastic plates due to misplacement in the stiffner location; (2) On vibrational imperfection sensitivity on Augusti's model structure in the vicinity of a non-linear static state; (3) Imperfection sensitivity due to elastic moduli in the Roorda Koiter frame; (4) Buckling mode localization in a multi-span periodic structure with a disorder in a single span; (5) Prediction of natural frequency and buckling load variability due to uncertainty in material properties by convex modeling; (6) Derivation of multi-dimensional ellipsoidal convex model for experimental data; (7) Passive control of buckling deformation via Anderson localization phenomenon; (8)Effect of the thickness and initial im perfection on buckling on composite cylindrical shells: asymptotic analysis and numerical results by BOSOR4 and PANDA2; (9) Worst case estimation of homology design by convex analysis; (10) Buckling of structures with uncertain imperfections - Personal perspective.

Elishakoff, Isaac↗

DOE OSTI2020

Azimuthally averaged wind and thermodynamic structures of tropical cyclones in global climate models and their sensitivity to horizontal resolution

Characteristics of tropical cyclones (TCs) in global climate models (GCMs) are known to be influenced by details of the model configurations, including horizontal resolution and parameterization schemes. Understanding model-to-model differences in TC characteristics is a prerequisite for reducing uncertainty in future TC activity projections by GCMs. This study performs a process-level examination of TC structures in eight GCM simulations that span a range of horizontal resolutions from 1° to 0.25°. A recently developed set of process-oriented diagnostics is used to examine the azimuthally averaged wind and thermodynamic structures of the GCM-simulated TCs. Results indicate that the inner-core wind structures of simulated TCs are more strongly constrained by the horizontal resolutions of the models than are the thermodynamic structures of those TCs. As expected, the structures of TC circulations become more realistic with smaller horizontal grid spacing, such that the radii of maximum wind (RMW) become smaller, and the maximum vertical velocities occur off the center. However, the RMWs are still too large, especially at higher intensities, and there are rising motions occurring at the storm centers, inconsistently with observations. The distributions of precipitation, moisture, radiative and surface turbulent heat fluxes around TCs are diverse, even across models with similar horizontal resolutions. At the same horizontal resolution, models that produce greater rainfall in the inner-core regions tend to simulate stronger TCs. Further, when TCs are weak, the radial gradient of net column radiative flux convergence is comparable to that of surface turbulent heat fluxes, emphasizing the importance of cloud-radiative feedbacks during the early developmental phases of TCs.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

Design and Analysis of Buckling-Critical Large-Scale Sandwich Composite Cylindrical Test Articles

It has long been established in the literature that the buckling response of thin-shell structures can be very sensitive to the presence of small geometric and loading imperfections. The Shell Buckling Knockdown Factor Project (SBKF) was established by the NASA Engineering and Safety Center (NESC) to develop analysis-based shell buckling design recommendations for stiffened-metallic and composite launch-vehicle shell structures. Large-scale buckling tests were used to validate the modeling and analysis methods applied in developing these analysis-based recommendations. Herein, the test article design methodology for 8-ft-diameter, honeycomb-core sandwich composite cylinder validation tests is discussed and cylinder designs are presented. In this methodology, first, the sandwich composite design space was defined using several nondimensional parameters, and the desired test article design space was determined by examining the designs of launch-vehicle cylinder structures. Essentially all test article designs within certain design parameters were generated and then downselected based on simple closed-form failure calculations and the nondimensional design-space parameters. Four of these designs that spanned a significant portion of the design space of interest and had global buckling as the first predicted failure mode were selected and subjected to higher-fidelity finite element analyses (FEAs): shell-element-based analyses, axisymmetric-element-based analyses, and global-local analyses. The analysis flow discussed in this report supported the design objective. As the analysis flow progressed, designs were downselected so the fidelity of the analysis methods, and consequently their computational cost and accuracy, was increased. The selection of the FEA types created an analysis framework where particular methods complemented each other and reduced the uncertainty of the predicted test article responses. The analysis results are illustrated using several designs when the computationally expeditious closed-form analysis stage is discussed. Once this stage is complete, the higher-fidelity FEA types are illustrated using one selected detailed test article design. Both perfect and imperfect test article geometries were considered.

Buckling↗

NASA NTRS2012

View-Angle Dependent AIRS Cloud Radiances and Fluctuations: Implications of Organized Cloud Structures for Tropical Circulations

Interactions between wave dynamics and moisture generate clouds in a wide range of scales. Organized cloud structures produce statistically asymmetric radiances and perturbations in AIRS and AMSU-B measurements. With high resolution (approx.14 km beamwidth) and high-sensitivity instruments, these wave-modulated cloud structures can be readily detected from calibrated Levell radiance data. In this study we analyzed eight-year (2003 - 2010) statistics of AIRS cloud-induced radiances and found that in tropical convective regions the ascending (13:30 LST) measurements reveal higher view-angle asymmetry in cloud radiance than the descending (1:30 LST). The daytime asymmetry suggests 10% more cloudiness when the instrument views east, implying tilted and banded structures in most of the anvil clouds to which AIRS is sensitive. Such banded cloud structures are likely a manifestation of embedded westward propagating gravity waves in tropical convective systems. More importantly, organized cloud structures carry asymmetric momentum fluxes in addition to energy fluxes, which must be taken into account for modeling wave-wave and wave-mean flow interactions in tropical circulations.

Wu, Dong L.↗

DOE OSTI2024

Pressure-induced superconductivity in a novel germanium allotrope

High-pressure studies on elements play an essential role in superconductivity research, with implications for both fundamental science and applications. Here we report the experimental discovery of surprisingly low pressure driving a novel germanium allotrope into a superconducting state in comparison to that for α-Ge. Raman measurements revealed structural phase transitions and possible electronic topological transitions under pressure up to 58 GPa. Based on pressure-dependent resistivity measurements, superconductivity was induced above 2 GPa and the maximum T c of 6.8 K was observed under 4.6 GPa. Interestingly, a superconductivity enhancement was discovered during decompression, indicating the possibility of maintaining pressure-induced superconductivity at ambient pressure with better superconducting performance. Density functional theory analysis further suggested that the electronic structure of Ge (oP32) is sensitive to its detailed geometry and revealed that disorder in the β-tin structure leads to a higher T c in comparison to the perfect β-tin Ge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Measuring the Neutron Spin Asymmetry A1n in the Valence Quark Region in Hall C at Jefferson Lab

The quest to understand how the nucleon spin is decomposed into its constituent quark and gluon spin and orbital angular momentum (OAM) components has been at the forefront of nuclear physics for decades. Due to the non-perturbative nature of Quantum Chromodynamics (QCD) - the theory describing how quarks and gluons bind together to form protons and neutrons - making absolute predictions of nucleon spin structure is generally difficult, especially as a function of its quark and gluon longitudinal momentum fraction x. Measurements involving nucleon spin structure serve as a sensitive test for QCD, including ab-initio lattice QCD calculations due to the advent of the quasi-PDF formalism, and various predictions that diverge at large-x. The neutron spin asymmetry An 1 at high?x is a key observable for probing nucleon spin structure. In the valence domain (x > 0.5), sea effects are expected to be negligible, and so the total nucleon spin is considered to be carried by the valence quarks. The valence region can therefore enable us to study the role of quark OAM and other non-perturbative effects of the strong force. An 1 was measured in the deep inelastic scattering region of 0.40 < x < 0.75 and 6 < Q2 < 10 GeV2 in Hall C at Jefferson Lab using a 10.4 GeV longitudinally polarized electron beam, upgraded polarized 3He target, and the High Momentum Spectrometer (HMS) and Super High Momentum Spectrometer (SHMS). E12- 06-110 provides the first precision data in the valence quark region above x = 0.60, and its preliminary results proved consistent with earlier data disqualifying a pQCD model that excluded quark OAM. Combined with previous world proton data, the ratio of the polarized-to-unpolarized up quark momentum distribution (?u + ?u)/(u + u) remained positive at large-x, and the down quark (?d + ?d)/(d + d) remained negative.

Rehfuss, Melanie↗

DOE OSTI2018

Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum

The ascomycete fungus Trichoderma reesei is the predominant source of enzymes for industrial conversion of lignocellulose. Its glycoside hydrolase family 7 cellobiohydrolase (GH7 CBH) TreCel7A constitutes nearly half of the enzyme cocktail by weight and is the major workhorse in the cellulose hydrolysis process. The orthologs from Trichoderma atroviride (TatCel7A) and Trichoderma harzianum (ThaCel7A) show high sequence identity with TreCel7A, ~ 80%, and represent naturally evolved combinations of cellulose-binding tunnel-enclosing loop motifs, which have been suggested to influence intrinsic cellobiohydrolase properties, such as endo-initiation, processivity, and off-rate. The TatCel7A, ThaCel7A, and TreCel7A enzymes were characterized for comparison of function. The catalytic domain of TatCel7A was crystallized, and two structures were determined: without ligand and with thio-cellotriose in the active site. Initial hydrolysis of bacterial cellulose was faster with TatCel7A than either ThaCel7A or TreCel7A. In synergistic saccharification of pretreated corn stover, both TatCel7A and ThaCel7A were more efficient than TreCel7A, although TatCel7A was more sensitive to thermal inactivation. Structural analyses and molecular dynamics (MD) simulations were performed to elucidate important structure/function correlations. Moreover, reverse conservation analysis (RCA) of sequence diversity revealed divergent regions of interest located outside the cellulose-binding tunnel of Trichoderma spp. GH7 CBHs. We hypothesize that the combination of loop motifs is the main determinant for the observed differences in Cel7A activity on cellulosic substrates. Fine-tuning of the loop flexibility appears to be an important evolutionary target in Trichoderma spp., a conclusion supported by the RCA data. Our results indicate that, for industrial use, it would be beneficial to combine loop motifs from TatCel7A with the thermostability features of TreCel7A. Furthermore, one region implicated in thermal unfolding is suggested as a primary target for protein engineering.

09 BIOMASS FUELS↗

NASA NTRS2013

Buckling Analysis of a Honeycomb-Core Composite Cylinder with Initial Geometric Imperfections

Thin-walled cylindrical shell structures often have buckling as the critical failure mode, and the buckling of such structures can be very sensitive to small geometric imperfections. The buckling analyses of an 8-ft-diameter, 10-ft-long honeycomb-core composite cylinder loaded in pure axial compression is discussed in this document. Two loading configurations are considered configuration 1 uses simple end conditions, and configuration 2 includes additional structure that may more closely approximate experimental loading conditions. Linear eigenvalue buckling analyses and nonlinear analyses with and without initial geometric imperfections were performed on both configurations. The initial imperfections were introduced in the shell by applying a radial load at the midlength of the cylinder to form a single inward dimple. The critical bifurcation buckling loads are predicted to be 924,190 lb and 924,020 lb for configurations 1 and 2, respectively. Nonlinear critical buckling loads of 918,750 lb and 954,900 lb were predicted for geometrically perfect configurations 1 and 2, respectively. Lower-bound critical buckling loads for configurations 1 and 2 with radial perturbations were found to be 33% and 36% lower, respectively, than the unperturbed critical loads. The inclusion of the load introduction cylinders in configuration 2 increased the maximum bending-boundary-layer rotation up to 11%.

Cha, Gene↗

DOE OSTI2025

Monthly averages of ED2 model simulations initialized with airborne lidar structure, Jan 1981-Dec 2018, Brazilian Amazon

Deforestation and forest degradation (selective logging, fires, fragmentation) have impacted nearly 40% of the original extent of the Brazilian Amazon, and have markedly impacted forest structure across the region. To date, few studies analysed how shifts in forest structure from degradation influence the forest sensitivity to climate extremes, because of the complex interactions between forest structure and micro-environmental conditions. To address this knowledge gap, we carried out a series of simulations across the Brazilian Amazon using the Ecosystem Demography Model (ED2), using observed forest structure derived from 541 airborne lidar transects (375 ha each) and two scenarios representing forest recovery and expansion of degradation to investigate how shifts in forest structure impact ecosystem function under near-average and extreme climate conditions, as part of the manuscript Longo et al 2025 "Degradation and Deforestation Increase the Sensitivity of the Amazon Forest to Climate Extremes". This dataset provides the output results from the ED2 model simulations for the three simulations at monthly time scales, in NetCDF format. For all simulations, we used bias-corrected hourly reanalyses (WFDE5) for most meteorological drivers, except for precipitation, which was obtained from CHIRPS. The meteorological drivers used in the study span 38 years (Jan 1981–Dec 2018). The output results correspond to the last 38 years of simulation (one full cycle of meteorological drivers), in which ED2 simulations used static stand structure (i.e., the forest structure was held constant). The following files are provided:ED2_emean_Global_R004_BrAmaz_s1c0t0l0f0.nc. This corresponds to the Control simulation. The forest structure was obtained from the airborne lidar.ED2_emean_Global_R005_BrAmaz_s1c0t1l1f0.nc. This corresponds to the Degraded simulation. The forest structure was obtained from a spin-up simulation initialized with airborne lidar and a scenario that expanded deforestation and selective logging across the Amazon.ED2_emean_Global_R006_BrAmaz_s1c0t1l0f0.nc. This corresponds to the Recovery simulation. The forest structure was obtained from a spin-up simulation initialized with airborne lidar and a scenario that completely halted deforestation and degradation, allowing degraded forests to recover for 38 years.We also provide file ED2_zones_R004_BrAmaz_s1c0t0l0f0.nc, which classifies each grid cell into zones used in the reference manuscript: 1: Southeast. 2: South. 3: West. 4: Central. 5: Northeast. 6: North. 7: Northwest". Index 0 corresponds to grid cells excluded from sub-region analyses because they were dominated by flooded forests, deforestation, and naturally non-forest vegetation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Layer-resolved magnetic proximity effect in van der Waals heterostructures

Magnetic proximity effects are integral to manipulating spintronic, superconducting, excitonic and topological phenomena in heterostructures. These effects are highly sensitive to the interfacial electronic properties, such as electron wavefunction overlap and band alignment. The recent emergence of magnetic two-dimensional materials opens new possibilities for exploring proximity effects in van der Waals heterostructures. In particular, atomically thin CrI 3 exhibits layered antiferromagnetism, in which adjacent ferromagnetic monolayers are antiferromagnetically coupled. In this paper, we report a layer-resolved magnetic proximity effect in heterostructures formed by monolayer WSe 2 and bi/trilayer CrI 3 . By controlling the individual layer magnetization in CrI 3 with a magnetic field, we show that the spin-dependent charge transfer between WSe 2 and CrI 3 is dominated by the interfacial CrI 3 layer, while the proximity exchange field is highly sensitive to the layered magnetic structure as a whole. In combination with reflective magnetic circular dichroism measurements, these properties allow the use of monolayer WSe 2 as a spatially sensitive magnetic sensor to map out layered antiferromagnetic domain structures at zero magnetic field as well as antiferromagnetic/ferromagnetic domains at finite magnetic fields. Our work reveals a way to control proximity effects and probe interfacial magnetic order via van der Waals engineering.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Modeling of joints for the dynamic analysis of truss structures

An experimentally-based method for determining the stiffness and damping of truss joints is described. The analytical models use springs and both viscous and friction dampers to simulate joint load-deflection behavior. A least-squares algorithm is developed to identify the stiffness and damping coefficients of the analytical joint models from test data. The effects of nonlinear joint stiffness such as joint dead band are also studied. Equations for predicting the sensitivity of beam deformations to changes in joint stiffness are derived and used to show the level of joint stiffness required for nearly rigid joint behavior. Finally, the global frequency sensitivity of a truss structure to random perturbations in joint stiffness is discussed.

Belvin, W. Keith↗