Search NASA⌕ Search

SEARCH · Search NASA

Results for “structure sensitivity”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Planar defect-driven electrocatalysis of CO 2 -to-C 2 H 4 conversion

The selectivity towards a specific C 2+ product, such as ethylene (C 2 H 4 ), is sensitive to the surface structure of copper (Cu) catalysts in carbon dioxide (CO 2 ) electro-reduction. The fundamental understanding of such sensitivity can guide the development of advanced electrocatalysts, although it remains challenging at the atomic level. In this work, we demonstrated that planar defects, such as stacking faults, could drive the electrocatalysis of CO 2 -to-C 2 H 4 conversion with higher selectivity and productivity than Cu(100) facets in the intermediate potential region (–0.50 ~ –0.65 V vs. RHE). The unique right bipyramidal Cu nanocrystals containing a combination of (100) facets and a set of parallel planar defects delivered 67% faradaic efficiency (FE) for C 2 H 4 and a partial current density of 217 mA cm –2 at –0.63 V vs. RHE. In contrast, Cu nanocubes with exclusive (100) facets exhibited only 46% FE for C 2 H 4 and a partial current density of 87 mA cm –2 at an identical potential. Both ex situ CO temperature-programmed desorption and in situ Raman spectroscopy analysis implied that the stronger *CO adsorption on planar defect sites facilitates CO generation kinetics, which contributes to a higher surface coverage of *CO and in turn an enhanced reaction rate of C–C coupling towards C 2+ products, especially C 2 H 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2016

INFERRING THE CORONAL DENSITY IRREGULARITY FROM EUV SPECTRA

Understanding the density structure of the solar corona is important for modeling both coronal heating and the solar wind. Direct measurements are difficult because of line-of-sight integration and possible unresolved structures. We present a new method for quantifying such structures using density-sensitive extreme ultraviolet line intensities to derive a density irregularity parameter, a relative measure of the amount of structure along the line of sight. We also present a simple model to relate the inferred irregularities to physical quantities, such as the filling factor and density contrast. For quiet-Sun regions and interplume regions of coronal holes, we find a density contrast of at least a factor of 3–10 and corresponding filling factors of about 10%–20%. Our results are in rough agreement with other estimates of the density structures in these regions. The irregularity diagnostic provides a useful relative measure of unresolved structure in various regions of the corona.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Theoretical and experimental studies of the current–voltage and capacitance–voltage of HEMT structures and field-effect transistors

The sensitivity of classical n{sup +}/n{sup –} GaAs and AlGaN/GaN structures with a 2D electron gas (HEMT) and field-effect transistors based on these structures to γ-neutron exposure is studied. The levels of their radiation hardness were determined. A method for experimental study of the structures on the basis of a differential analysis of their current–voltage characteristics is developed. This method makes it possible to determine the structure of the layers in which radiation-induced defects accumulate. A procedure taking into account changes in the plate area of the experimentally measured barrier-contact capacitance associated with the emergence of clusters of radiation-induced defects that form dielectric inclusions in the 2D-electron-gas layer is presented for the first time.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The FastEddy® Resident-GPU Accelerated Large-Eddy Simulation Framework: Moist Dynamics Extension, Validation and Sensitivities of Modeling Non-Precipitating Shallow Cumulus Clouds

Herein we describe the moist dynamics formulation implemented within the graphics processing unit-resident large-eddy simulation FastEddy® model, which includes a simple saturation adjustment scheme for condensation and evaporation processes. Two LES model intercomparison exercises for non-precipitating shallow cumulus clouds are simulated in order to validate this model extension, including a static forcing and a time-dependent forcing case. Overall, we find our dynamical, thermodynamical and microphysical quantities, along with turbulence variability and fluxes, to be commensurate with the corresponding model intercomparison results. In addition, sensitivities to specific model settings are investigated. Among these settings, it is shown that boundary layer and cloud layer structure and characteristics are sensitive to use of higher-order advection schemes impacting the vertical distribution of cloud content and associated turbulence statistics. Increasing the timescale of the saturation scheme leads to enhanced liquid water presence and decreases vertical velocity variance within the cloud deck. In some cases, these sensitivities agree with the model-to-model variability reported in the intercomparison exercises, highlighting the important role of specific model implementation choices in the context of shallow cumulus convection simulations. These analyses and findings also provide the basis for future extensions and applications of FastEddy® for modeling moist convection and precipitation scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Leveraging microfluidic dielectrophoresis to distinguish compositional variations of lipopolysaccharide in E. coli

Lipopolysaccharide (LPS) is the unique feature that composes the outer leaflet of the Gram-negative bacterial cell envelope. Variations in LPS structures affect a number of physiological processes, including outer membrane permeability, antimicrobial resistance, recognition by the host immune system, biofilm formation, and interbacterial competition. Rapid characterization of LPS properties is crucial for studying the relationship between these LPS structural changes and bacterial physiology. However, current assessments of LPS structures require LPS extraction and purification followed by cumbersome proteomic analysis. This paper demonstrates one of the first high-throughput and non-invasive strategies to directly distinguish Escherichia coli with different LPS structures. Using a combination of three-dimensional insulator-based dielectrophoresis (3DiDEP) and cell tracking in a linear electrokinetics assay, we elucidate the effect of structural changes in E. coli LPS oligosaccharides on electrokinetic mobility and polarizability. We show that our platform is sufficiently sensitive to detect LPS structural variations at the molecular level. To correlate electrokinetic properties of LPS with the outer membrane permeability, we further examined effects of LPS structural variations on bacterial susceptibility to colistin, an antibiotic known to disrupt the outer membrane by targeting LPS. Our results suggest that microfluidic electrokinetic platforms employing 3DiDEP can be a useful tool for isolating and selecting bacteria based on their LPS glycoforms. Future iterations of these platforms could be leveraged for rapid profiling of pathogens based on their surface LPS structural identity.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

Design sensitivity analysis using EAL. Part 2: Shape design parameters

A numerical implementation of shape design sensitivity analysis of built-up structures is presented, using the versatility and convenience of an existing finite element structural analysis code and its data base management system. This report is a continuation of a previous report on conventional design parameters. The finite element code used in the implementation presented is the Engineering Analysis Language (EAL), which is based on a hybrid analysis method. It has been shown that shape design sensitivity computations can be carried out using the database management system of EAL, without writing a separate program and a separate data base. The material derivative concept of continuum mechanics and an adjoint variable method of design sensitivity analysis are used to derive shape design sensitivity information of structural performances. A domain method of shape design sensitivity analysis and a design component method are used. Displacement and stress functionals are considered as performance criteria.

Dopker, B.↗
DOE OSTI2019

High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton

We report that the hydrated excess proton is a common species in aqueous chemistry which complexes with water in a variety of structures. The infrared spectrum of the aqueous proton is particularly sensitive to this array of structures, which manifests as continuous IR absorption from 1000-3000 cm -1 known as the “proton continuum”. Because of the extreme breadth of the continuum and strong anharmonicity of the involved vibrational modes, this spectrum has eluded straightforward interpretation and simulation. Using protonated water hexamer clusters from reactive molecular dynamics trajectories, and focusing on their central H + (H 2 O) 2 structures’ spectral contribution, we reproduce the linear IR spectrum of the aqueous proton with a high-level local- monomer quantum method and highly accurate many-body potential energy surface. The accuracy of this approach is first verified in the vibrational spectra of the two isomers of the protonated water hexamer in the gas phase. We then apply this approach to 800 H + (H 2 O) 6 clusters, also written as [H + (H 2 O) 2 ](H 2 O) 4 , drawn from MS-EVB simulations of the bulk liquid to calculate the infrared spectrum of the aqueous proton complex. Incorporation of anharmonic effects to the vibrational potential and quantum mechanical treatment of the proton produce better agreement to the infrared spectrum compared to the double-harmonic approximation. We assess the correlation of the pro- ton stretching mode with different atomistic coordinates, finding the best correlation with $\langle$ROH$\rangle$, the expectation value of the proton-oxygen distance ROH. Finally, we also decompose the IR spectrum based on normal mode vibrations and $\langle$ROH$\rangle$ to provide insight on how different frequency regions in the continuum report on different configurations, vibrational modes, and mode couplings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Variable angle of incidence spectroscopic ellipsometry Application to GaAs-Al(x)Ga(1-x)As multiple heterostructures

The sensitivity of spectroscopic ellipsometry data to multilayer model parameters is shown to be a strong function of the angle of incidence. A quantitative study of sensitivity versus angle of incidence is performed for a GaAs-Al(x)Ga(1-x)As-GaAs substrate structure, showing that maximum sensitivity to layer thicknesses and AlGaAs composition occurs near the wavelength-dependent principal angle. These results are verified by experimental measurements on two molecular-beam epitaxy grown samples.

Snyder, Paul G.↗
NASA NTRS2010

Solving Component Structural Dynamic Failures Due to Extremely High Frequency Structural Response on the Space Shuttle Program

For many years, the capabilities to determine the root-cause failure of component failures have been limited to the analytical tools and the state of the art data acquisition systems. With this limited capability, many anomalies have been resolved by adding material to the design to increase robustness without the ability to determine if the design solution was satisfactory until after a series of expensive test programs were complete. The risk of failure and multiple design, test, and redesign cycles were high. During the Space Shuttle Program, many crack investigations in high energy density turbomachines, like the SSME turbopumps and high energy flows in the main propulsion system, have led to the discovery of numerous root-cause failures and anomalies due to the coexistences of acoustic forcing functions, structural natural modes, and a high energy excitation, such as an edge tone or shedding flow, leading the technical community to understand many of the primary contributors to extremely high frequency high cycle fatique fluid-structure interaction anomalies. These contributors have been identified using advanced analysis tools and verified using component and system tests during component ground tests, systems tests, and flight. The structural dynamics and fluid dynamics communities have developed a special sensitivity to the fluid-structure interaction problems and have been able to adjust and solve these problems in a time effective manner to meet budget and schedule deadlines of operational vehicle programs, such as the Space Shuttle Program over the years.

Frady, Greg↗
DOE OSTI2022

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Properties of gold nanoparticles (Au NPs) supported on Si substrates, which have been the focus of recent attention, depend sensitively on the size, structure, and coordination of Au NPs as well as on the processes of interdiffusion and chemical bonding at the Au–Si interface. There is a great need, therefore, for developing structural techniques capable of imaging such nanosystems in atomic detail. Here, it is discussed how the atomic structure of nanometer‐sized Au NPs deposited on a silicon surface can be determined by using high‐energy X‐ray diffraction measurements in combination with an analysis based on atomic‐pair‐distribution functions and advanced reverse Monte Carlo methods. This approach delivers simple and incisive pictures of the structure of Au clusters on Si and reveals direct structural evidence for the emergence of a Au‐silicide interface following room temperature deposition of Au NPs on Si. This study will contribute to designing Au/Si nanostructures with desirable properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Prediction of grain structure after thermomechanical processing of U-10Mo alloy using sensitivity analysis and machine learning surrogate model

Abstract Hot rolling and annealing are critical intermediate steps for controlling microstructures and thickness variations when fabricating uranium alloyed with 10% molybdenum (U-10Mo), which is highly relevant to worldwide nuclear non-proliferation efforts. This work proposes a machine-learning surrogate model combined with sensitivity analysis to identify and predict U-10Mo microstructure development during thermomechanical processing. Over 200 simulations were collected using physics-based microstructure models covering a wide range of thermomechanical processing routes and initial alloy grain features. Based on the sensitivity analysis, we determined that an increase in rolling reduction percentage at each processing pass has the strongest effect in reducing the grain size. Multi-pass rolling and annealing can significantly improve recrystallization regardless of the reduction percentage. With a volume fraction below 2%, uranium carbide particles were found to have marginal effects on the average grain size and distribution. The proposed stratified stacking ensemble surrogate predicts the U-10Mo grain size with a mean square error four times smaller than a standard single deep neural network. At the same time, with a significant speedup (1000×) compared to the physics-based model, the machine learning surrogate shows good potential for U-10Mo fabrication process optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Roll-to-Roll Processing of Silicon Carbide Nanoparticle-Deposited Carbon Fiber for Multifunctional Composites

This work provides a proof of principle that a high volume, continuous throughput fiber coating process can be used to integrate semiconducting nanoparticles on carbon fiber surfaces to create multifunctional composites. By embedding silicon carbide nanoparticles in the fiber sizing, subsequent composite fabrication methods are used to create unidirectional fiber-reinforced composites with enhanced structural health monitoring (SHM) sensitivity and increased interlaminar strength. Additional investigations into the mechanical damping behavior of these functional composites reveal a significantly increased loss factor at the glass-transition temperature ranging from a 65 to 257% increase. Composites with both increased interlaminar strength and SHM sensitivity are produced from a variety of epoxy and silicon carbide nanoparticle concentrations. Overall, the best performing composite in terms of combined performance shows an increase of 47.5% in SHM sensitivity and 7.7% increase in interlaminar strength. Finally, this work demonstrates successful and efficient integration of nanoparticle synthesis into large-scale, structural applications.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Low-thrust vehicles concept studies

Low thrust chemical (hydrogen-oxygen) propulsion systems configured specifically for low acceleration orbit transfer of large space systems were studied in order to provide the required additional data to better compare new, low thrust chemical propulsion systems with other propulsion approaches such as advanced electric systems. Study results indicate that it is cost-effective and least risk to combine the low thrust OTV and stowed spacecraft in a single 65 K shuttle. Mission analysis indicates that there are 25 such missions, starting in 1987. Multiple shuttles (LSS in one, OTV in another) result in a 20% increase in LSS (SBR) diameter over single shuttle launches. Synthesis and optimization of the LSS characteristics and OTV capability resulted in determination of the optimum thrust-to-weight and thrust level. For the space based radar with radial truss arms (center thrust application), the optimum thrust-to-weight (maximum) is 0.1, giving a thrust of 2000 lb. For the annular truss (edge-on thrust application) the structure is not as sensitive, and thrust of 1000 lb appears optimum. For the geoplatform, optimum T/W is .15 (3000 lb thrust). The effects of LSS structure material, weight distribution, and unit area density were evaluated, as were the OTV engine thrust transient and number of burns.

Ketchum, W. J.↗
NASA NTRS1994

Nondestructive evaluation of fatigue damage in aluminum 2024 by x-ray diffraction

Aluminum alloys are widely used in the automobile and aerospace industries. This is due to their attractive low density-high modulus and low density-high strength characteristics. Unfortunately, cyclic stress-strain deformations alter the microstructure of aluminum alloys when they are placed into service. These structural changes can lead to fatigue damage and ultimately service failure. Since x-ray diffraction analysis is known to be a sensitive nondestructive indicator of structural changes due to deformations, this technique is being used to evaluate changes in the microstructure of cycled aluminum 2024 commercial alloys. Line shapes, widths, and positions in an x-ray diffraction pattern depend on microstructural properties such as grain size, grain orientation, residual stress, microstrain, etc. Changes in the microstructure due to fatigue will appear as changes in the diffraction pattern. One parameter used to characterize a reflection in a diffraction pattern is the full width at half maximum (FWHM). Preliminary x-ray diffraction results on cycled Al 2024 indicate that the (111) and (222) reflections of the matrix phase do not show any variations in the FWHM due to an increase in the fatigue cycles. However, the FWHM of the (200) and (400) reflections of the same phase unexpectedly showed a dramatic decrease. These results can be interpreted as due to the relaxation of some initial nonuniform residual stresses in the matrix phase lattice. Further work is in progress to evaluate the FWHM of the second phase of the cycled alloys.

Ferguson, Milton W.↗
DOE OSTI2021

Air Blast Mesh Sensitivity and Pressure Mapping Study

Nose cone structural and aerodynamic characteristics are essential for intelligent design of aircraft, spacecraft, and ballistic systems. Finite element analysis can be used to help understand the structural integrity and flight characteristics of different nose cones. A mesh sensitivity study was undertaken for a particular nose cone geometry that was used in tests at LANL facilities in order to confirm the integrity of the meshed geometry. A simple cone that best matched closed-form theoretical solutions was modeled, and received good correlation to the theory. Complexity was then added back to the nose cone. Parameters applied to the simple cone were then implemented in the nose cone geometry giving assurance of accuracy after the geometry was changed. Nose cone results averaged 6.3% error for radial displacement when compared with the theoretical. Hoop stress averaged 6.0% error and meridional stress averaged 5.7% error at the finest mesh level. Meshes showed signs of convergence when compared to all three theoretical solutions. Finally, pressure time-history data from LANL computational fluid dynamics simulations was applied to the surface of the final nose cone geometry. The pressure data was interpolated from pressure gauge locations onto nearby meshed elements, which allowed for FEA software to run simulations on the cone with the pressure data as a loading condition. The pressure mapping resulted in the ability to understand the nose cone’s rigid body motion that in turn can inform design of future nose cones.

42 ENGINEERING↗
NASA NTRS1990

Sensitivity analysis of the optimal solution obtained from the structural damage indentification process

An identification procedure proposed by Shen and Taylor to determine the crack characteristics (location and size of the crack) from dynamic measurements is tested. This procedure was based on minimization of either the 'mean-square' measure of difference between measurement data (natural frequencies and mode shapes) and the corresponding predictions obtained from the computational model. The procedure is tested for simulated damage in the form of symmetric cracks in a simply-supported Bernoulli-Euler beam. The sensitivity of the solution of damage identification problems to the values of parameters that characterize damage is discussed. A sensitivity formula is derived.

Shen, Mo-How H.↗
DOE OSTI2017

Inner Layer Control of Performance in a Dye-Sensitized Photoelectrosynthesis Cell

Interfacial charge transfer and core-shell structures play important roles in dye-sensitized photoelectrosynthesis cells (DSPEC) for water splitting into H 2 and O 2 . An important element in the design of the photoanode in these devices is a core/shell structure which controls local electron transfer dynamics. Here, we introduce a new element, an internal layer of Al 2 O 3 lying between the Sb:SnO 2 /TiO 2 layers in a core/shell electrode which can improve photocurrents by up to 300%. In these structures, the results of photocurrent, transient absorption, and linear scan voltammetry measurements point to an important role for the Al 2 O 3 layer in controlling internal electron transfer within the core/shell structure.

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

Scaling approach to nuclear structure in high-energy heavy-ion collisions

In high-energy heavy-ion collisions, the initial condition of the produced quark-gluon plasma (QGP) and its evolution are sensitive to collective nuclear structure parameters describing the shape and radial profiles of the nuclei. Here, we find a general scaling relation between these parameters and many experimental observables such as elliptic flow, triangular flow, and particle multiplicity distribution. In particular, the ratios of observables between two isobar systems depend only on the differences of these parameters, but not on the details of the final state interactions, hence offering a new way to constrain the QGP initial condition. Using this scaling relation, we show how the structure parameters of $^{96}_{44}$Ru and $^{96}_{40}$Zr conspire to produce the rich centrality dependences of these ratios, as measured by the STAR Collaboration. Our scaling approach demonstrates that isobar collisions are a precision tool to probe the initial condition of heavy-ion collisions, as well as the collective nuclear structures, including the neutron skin, of the atomic nuclei across energy scales.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗