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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Grain‐Boundary‐Rich Noble Metal Nanoparticle Assemblies: Synthesis, Characterization, and Reactivity

Abstract Here, a comprehensive study on the synthesis, characterization, and reactivity of grain‐boundary (GB)‐rich noble metal nanoparticle (NP) assemblies is presented. A facile and scalable synthesis of Pt, Pd, Au, Ag, and Rh NP assemblies is developed, in which NPs are predominantly connected via Σ3 (111) twin GBs, forming a network. Driven by water electrolysis, the random collisions and oriented attachment of colloidal NPs in solution lead to the formation of Σ3 (111) twin boundaries and some highly mismatched GBs. This synthetic method also provides convenient control over the GB density without altering the crystallite size or GB type by varying the NP collision frequency. The structural characterization reveals the presence of localized tensile strain at the GB sites. The ultrahigh activity of GB‐rich Pt NP assembly toward catalytic hydrogen oxidation in air is demonstrated, enabling room‐temperature catalytic hydrogen sensing for the first time. Finally, density functional theory calculations reveal that the strained Σ3(111) twin boundary facilitates oxygen dissociation, drastically enhancing the hydrogen oxidation rate via the dissociative pathway. This reported large‐scale synthesis of the Σ3 (111) twin GB‐rich structures enables the development of a broad range of high‐performance GB‐rich catalysts.

Geng, Xin↗
DOE OSTI2025

Metallicity and anomalous Hall effect in epitaxially strained, atomically thin RuO 2 films

The anomalous Hall effect (AHE), a hallmark of time-reversal symmetry breaking, has been reported in rutile RuO 2 , a debated metallic altermagnetic candidate. Previously, AHE in RuO 2 was observed only in strain-relaxed thick films under extremely high magnetic fields (~50 T). Yet, in ultrathin strained films with distinctive anisotropic electronic structures, there are no reports, likely due to disorder and defects suppressing metallicity thus hindering its detection. Here, we demonstrate that ultrathin, fully strained 2 nm TiO 2 /t nm RuO 2 /TiO 2 (110) heterostructures, grown by hybrid molecular beam epitaxy, retain metallicity and exhibit a sizeable AHE at a significantly lower magnetic field (< 9 T). Density functional theory calculations reveal that epitaxial strain stabilizes a noncompensated magnetic ground state and reconfigures magnetic ordering in RuO 2 (110) thin films. These findings establish ultrathin RuO 2 as a platform for strain-engineered magnetism and underscore the transformative potential of epitaxial design in advancing spintronic technologies.

MBE↗
NASA NTRS1990

ZIP3D: An elastic and elastic-plastic finite-element analysis program for cracked bodies

ZIP3D is an elastic and an elastic-plastic finite element program to analyze cracks in three dimensional solids. The program may also be used to analyze uncracked bodies or multi-body problems involving contacting surfaces. For crack problems, the program has several unique features including the calculation of mixed-mode strain energy release rates using the three dimensional virtual crack closure technique, the calculation of the J integral using the equivalent domain integral method, the capability to extend the crack front under monotonic or cyclic loading, and the capability to close or open the crack surfaces during cyclic loading. The theories behind the various aspects of the program are explained briefly. Line-by-line data preparation is presented. Input data and results for an elastic analysis of a surface crack in a plate and for an elastic-plastic analysis of a single-edge-crack-tension specimen are also presented.

Shivakumar, K. N.↗
NASA NTRS2013

Progress of a Cross-correlation Based Optical Strain Measurement Technique for Detecting Radial Growth on a Rotating Disk

The Aeronautical Sciences Project under NASAs Fundamental Aeronautics Program is extremely interested in the development of fault detection technologies, such as optical surface measurements in the internal parts of a flow path, for in situ health monitoring of gas turbine engines. In situ health monitoring has the potential to detect flaws, i.e. cracks in key components, such as engine turbine disks, before the flaws lead to catastrophic failure. In the present study, a cross-correlation imaging technique is investigated in a proof-of-concept study as a possible optical technique to measure the radial growth and strain field on an already cracked sub-scale turbine engine disk under loaded conditions in the NASA Glenn Research Centers High Precision Rotordynamics Laboratory. The optical strain measurement technique under investigation offers potential fault detection using an applied background consisting of a high-contrast random speckle pattern and imaging the background under unloaded and loaded conditions with a CCD camera. Spinning the cracked disk at high speeds induces an external load, resulting in a radial growth of the disk of approximately 50.8-m in the flawed region and hence, a localized strain field. When imaging the cracked disk under static conditions, the disk will appear shifted. The resulting background displacements between the two images will then be measured using the two-dimensional cross-correlation algorithms implemented in standard Particle Image Velocimetry (PIV) software to track the disk growth, which facilitates calculation of the localized strain field. In order to develop and validate this optical strain measurement technique an initial proof-of-concept experiment is carried out in a controlled environment. Using PIV optimization principles and guidelines, three potential backgrounds, for future use on the rotating disk, are developed and investigated in the controlled experiment. A range of known shifts are induced on the backgrounds; reference and data images are acquired before and after the induced shift, respectively, and the images are processed using the cross- correlation algorithms in order to determine the background displacements. The effectiveness of each background at resolving the known shift is evaluated and discussed in order to choose to the most suitable background to be implemented onto a rotating disk in the Rotordynamics Lab. Although testing on the rotating disk has not yet been performed, the driving principles behind the development of the present optical technique are based upon critical aspects of the future experiment, such as the amount of expected radial growth, disk analysis, and experimental design and are therefore addressed in the paper.

Clem, Michelle M.↗
NASA NTRS2016

Evaluation of the Hinge Moment and Normal Force Aerodynamic Loads from a Seamless Adaptive Compliant Trailing Edge Flap in Flight

A seamless adaptive compliant trailing edge (ACTE) flap was demonstrated in flight on a Gulfstream III aircraft at the NASA Armstrong Flight Research Center. The trailing edge flap was deflected between minus 2 deg up and plus 30 deg down in flight. The safety-of-flight parameters for the ACTE flap experiment require that flap-to-wing interface loads be sensed and monitored in real time to ensure that the structural load limits of the wing are not exceeded. The attachment fittings connecting the flap to the aircraft wing rear spar were instrumented with strain gages and calibrated using known loads for measuring hinge moment and normal force loads in flight. The safety-of-flight parameters for the ACTE flap experiment require that flap-to-wing interface loads be sensed and monitored in real time to ensure that the structural load limits of the wing are not exceeded. The attachment fittings connecting the flap to the aircraft wing rear spar were instrumented with strain gages and calibrated using known loads for measuring hinge moment and normal force loads in flight. The interface hardware instrumentation layout and load calibration are discussed. Twenty-one applied calibration test load cases were developed for each individual fitting. The 2-sigma residual errors for the hinge moment was calculated to be 2.4 percent, and for normal force was calculated to be 7.3 percent. The hinge moment and normal force generated by the ACTE flap with a hinge point located at 26-percent wing chord were measured during steady state and symmetric pitch maneuvers. The loads predicted from analysis were compared to the loads observed in flight. The hinge moment loads showed good agreement with the flight loads while the normal force loads calculated from analysis were over-predicted by approximately 20 percent. Normal force and hinge moment loads calculated from the pressure sensors located on the ACTE showed good agreement with the loads calculated from the installed strain gages.

Hinge Moment Loads↗
NASA NTRS1980

Calculation of residual principal stresses in CVD boron on carbon filaments

A three-dimensional finite element model of the chemical vapor deposition of boron on a carbon substrate (B/C) is developed. The model includes an expansion of the boron after deposition due to atomic rearrangement and includes creep of the boron and carbon. Curves are presented showing the variation of the principal residual stresses and the filament elongation with the parameters defining deposition strain and creep. The calculated results are compared with experimental axial residual stress and elongation measurements made on B/C filaments. For good agreement between calculated and experimental results, the deposited boron must continue to expand after deposition, and the build up of residual stresses must be limited by significant boron and carbon creep rates.

Behrendt, D. R.↗
NASA NTRS2014

Progress of a Cross-Correlation Based Optical Strain Measurement Technique for Detecting Radial Growth on a Rotating Disk

The Aeronautical Sciences Project under NASA's Fundamental Aeronautics Program is interested in the development of novel measurement technologies, such as optical surface measurements for the in situ health monitoring of critical constituents of the internal flow path. In situ health monitoring has the potential to detect flaws, i.e. cracks in key components, such as engine turbine disks, before the flaws lead to catastrophic failure. The present study, aims to further validate and develop an optical strain measurement technique to measure the radial growth and strain field of an already cracked disk, mimicking the geometry of a sub-scale turbine engine disk, under loaded conditions in the NASA Glenn Research Center's High Precision Rotordynamics Laboratory. The technique offers potential fault detection by imaging an applied high-contrast random speckle pattern under unloaded and loaded conditions with a CCD camera. Spinning the cracked disk at high speeds (loaded conditions) induces an external load, resulting in a radial growth of the disk of approximately 50.0-μm in the flawed region and hence, a localized strain field. When imaging the cracked disk under static conditions, the disk will be undistorted; however, during rotation the cracked region will grow radially, thus causing the applied particle pattern to be 'shifted'. The resulting particle displacements between the two images is measured using the two-dimensional cross-correlation algorithms implemented in standard Particle Image Velocimetry (PIV) software to track the disk growth, which facilitates calculation of the localized strain field. A random particle distribution is adhered onto the surface of the cracked disk and two bench top experiments are carried out to evaluate the technique's ability to measure the induced particle displacements. The disk is shifted manually using a translation stage equipped with a fine micrometer and a hotplate is used to induce thermal growth of the disk, causing the particles to become shifted. For both experiments, reference and test images are acquired before and after the induced shifts, respectively, and then processed using PIV software. The controlled manual translation of the disk resulted in detection of the particle displacements accurate to ~1.75% of full scale and the thermal expansion experiment resulted in successful detection of the disk's thermal growth as compared to the calculated thermal expansion results. After validation of the technique through the induced shift experiments, the technique is implemented in the Rotordynamics Lab for preliminary assessment in a simulated engine environment. The discussion of the findings and plans for future work to improve upon the results are addressed in the paper.

rotordynamics↗
DOE OSTI2020

Strain-induced creation and switching of anion vacancy layers in perovskite oxynitrides

Perovskite oxides can host various anion-vacancy orders, which greatly change their properties, but the order pattern is still difficult to manipulate. Separately, lattice strain between thin film oxides and a substrate induces improved functions and novel states of matter, while little attention has been paid to changes in chemical composition. Here we combine these two aspects to achieve strain-induced creation and switching of anion-vacancy patterns in perovskite films. Epitaxial SrVO 3 films are topochemically converted to anion-deficient oxynitrides by ammonia treatment, where the direction or periodicity of defect planes is altered depending on the substrate employed, unlike the known change in crystal orientation. First-principles calculations verified its biaxial strain effect. Like oxide heterostructures, the oxynitride has a superlattice of insulating and metallic blocks. Given the abundance of perovskite families, this study provides new opportunities to design superlattices by chemically modifying simple perovskite oxides with tunable anion-vacancy patterns through epitaxial lattice strain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

ABINIT: Overview and focus on selected capabilities

ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe–Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the “temperature-dependent effective potential” approach for anharmonic effects. Relying on planewaves for the representation of wavefunctions, density, and other space-dependent quantities, with pseudopotentials or projector-augmented waves (PAWs), it is well suited for the study of periodic materials, although nanostructures and molecules can be treated with the supercell technique. The present article starts with a brief description of the project, a summary of the theories upon which ABINIT relies, and a list of the associated capabilities. It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave codes or, in general, treatment of strongly correlated materials using DMFT; materials under finite electric fields; properties at nuclei (electric field gradient, Mössbauer shifts, and orbital magnetization); positron annihilation; Raman intensities and electro-optic effect; and DFPT calculations of response to strain perturbation (elastic constants and piezoelectricity), spatial dispersion (flexoelectricity), electronic mobility, temperature dependence of the gap, and spin-magnetic-field perturbation. The ABINIT DFPT implementation is very general, including systems with van der Waals interaction or with noncollinear magnetism. Community projects are also described: generation of pseudopotential and PAW datasets, high-throughput calculations (databases of phonon band structure, second-harmonic generation, and GW computations of bandgaps), and the library libpaw. ABINIT has strong links with many other software projects that are briefly mentioned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Porous Media Approach for Modeling Closed Cell Foam

In order to minimize boil off of the liquid oxygen and liquid hydrogen and to prevent the formation of ice on its exterior surface, the Space Shuttle External Tank (ET) is insulated using various low-density, closed-cell polymeric foams. Improved analysis methods for these foam materials are needed to predict the foam structural response and to help identify the foam fracture behavior in order to help minimize foam shedding occurrences. This presentation describes a continuum based approach to modeling the foam thermo-mechanical behavior that accounts for the cellular nature of the material and explicitly addresses the effect of the internal cell gas pressure. A porous media approach is implemented in a finite element frame work to model the mechanical behavior of the closed cell foam. The ABAQUS general purpose finite element program is used to simulate the continuum behavior of the foam. The soil mechanics element is implemented to account for the cell internal pressure and its effect on the stress and strain fields. The pressure variation inside the closed cells is calculated using the ideal gas laws. The soil mechanics element is compatible with an orthotropic materials model to capture the different behavior between the rise and in-plane directions of the foam. The porous media approach is applied to model the foam thermal strain and calculate the foam effective coefficient of thermal expansion. The calculated foam coefficients of thermal expansion were able to simulate the measured thermal strain during heat up from cryogenic temperature to room temperature in vacuum. The porous media approach was applied to an insulated substrate with one inch foam and compared to a simple elastic solution without pore pressure. The porous media approach is also applied to model the foam mechanical behavior during subscale laboratory experiments. In this test, a foam layer sprayed on a metal substrate is subjected to a temperature variation while the metal substrate is stretched to simulate the structural response of the tank during operation. The thermal expansion mismatch between the foam and the metal substrate and the thermal gradient in the foam layer causes high tensile stresses near the metal/foam interface that can lead to delamination.

Ghosn, Louis J.↗
NASA NTRS1990

Edge delamination of composite laminates subject to combined tension and torsional loading

Delamination is a common failure mode of laminated composite materials. Edge delamination is important since it results in reduced stiffness and strength of the laminate. The tension/torsion load condition is of particular significance to the structural integrity of composite helicopter rotor systems. Material coupons can easily be tested under this type of loading in servo-hydraulic tension/torsion test stands using techniques very similar to those used for the Edge Delamination Tensile Test (EDT) delamination specimen. Edge delamination of specimens loaded in tension was successfully analyzed by several investigators using both classical laminate theory and quasi-three dimensional (Q3D) finite element techniques. The former analysis technique can be used to predict the total strain energy release rate, while the latter technique enables the calculation of the mixed-mode strain energy release rates. The Q3D analysis is very efficient since it produces a three-dimensional solution to a two-dimensional domain. A computer program was developed which generates PATRAN commands to generate the finite element model. PATRAN is a pre- and post-processor which is commonly used with a variety of finite element programs such as MCS/NASTRAN. The program creates a sufficiently dense mesh at the delamination crack tips to support a mixed-mode fracture mechanics analysis. The program creates a coarse mesh in those regions where the gradients in the stress field are low (away from the delamination regions). A transition mesh is defined between these regions. This program is capable of generating a mesh for an arbitrarily oriented matrix crack. This program significantly reduces the modeling time required to generate these finite element meshes, thus providing a realistic tool with which to investigate the tension torsion problem.

Hooper, Steven J.↗
DOE OSTI2020

Control of magnetic properties of MnBi 2 Te 4 using a van der Waals ferroelectric III 2 -VI 3 film and biaxial strain

Using the first-principles calculations, we systematically investigated magnetic properties of a MnBi 2 Te 4 (MBT) monolayer in contact with III 2 -VI 3 two-dimensional ferroelectric substrates. As the electric polarization in the ferroelectric films is switched, a semiconductor to half-metal transition occurs in MBT, and its magnetic easy axis in several cases reorients. As an example, the Curie temperature of MBT/In 2 Se 3 can be enhanced to 21.5 or 32 K under the influence of electric polarization and biaxial strain, much higher than that of the pristine MBT monolayer, which is 14.5 K in our calculations. Our results in this work suggest effective ways to tune magnetic properties of MBT and provide useful insights for the further development of these important van der Waals functional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2013

Investigation of a Cross-Correlation Based Optical Strain Measurement Technique for Detecting radial Growth on a Rotating Disk

The Aeronautical Sciences Project under NASA`s Fundamental Aeronautics Program is extremely interested in the development of novel measurement technologies, such as optical surface measurements in the internal parts of a flow path, for in situ health monitoring of gas turbine engines. In situ health monitoring has the potential to detect flaws, i.e. cracks in key components, such as engine turbine disks, before the flaws lead to catastrophic failure. In the present study, a cross-correlation imaging technique is investigated in a proof-of-concept study as a possible optical technique to measure the radial growth and strain field on an already cracked sub-scale turbine engine disk under loaded conditions in the NASA Glenn Research Center`s High Precision Rotordynamics Laboratory. The optical strain measurement technique under investigation offers potential fault detection using an applied high-contrast random speckle pattern and imaging the pattern under unloaded and loaded conditions with a CCD camera. Spinning the cracked disk at high speeds induces an external load, resulting in a radial growth of the disk of approximately 50.0-im in the flawed region and hence, a localized strain field. When imaging the cracked disk under static conditions, the disk will be undistorted; however, during rotation the cracked region will grow radially, thus causing the applied particle pattern to be .shifted`. The resulting particle displacements between the two images will then be measured using the two-dimensional cross-correlation algorithms implemented in standard Particle Image Velocimetry (PIV) software to track the disk growth, which facilitates calculation of the localized strain field. In order to develop and validate this optical strain measurement technique an initial proof-of-concept experiment is carried out in a controlled environment. Using PIV optimization principles and guidelines, three potential speckle patterns, for future use on the rotating disk, are developed and investigated in the controlled experiment. A range of known shifts are induced on the patterns; reference and data images are acquired before and after the induced shift, respectively, and the images are processed using the cross-correlation algorithms in order to determine the particle displacements. The effectiveness of each pattern at resolving the known shift is evaluated and discussed in order to choose the most suitable pattern to be implemented onto a rotating disk in the Rotordynamics Lab. Although testing on the rotating disk has not yet been performed, the driving principles behind the development of the present optical technique are based upon critical aspects of the future experiment, such as the amount of expected radial growth, disk analysis, and experimental design and are therefore addressed in the paper.

Clem, Michelle M.↗
NASA NTRS2002

Extreme Wind Velocity Measurement System

A wind velocity measurement system employs two different principles of physics to measure wind speed: (1) the aerodynamic force imparted to a low profile, rigidly mounted cylindrical rod, and (2) the vibrating frequency of the rod as vortices are shed from the rod's cylindrical surface. A set of strain gages is used as a common sensor for both measurements, and these provide force measurements imparted by the wind on the rod. The signals generated by the strain gages are fed to processing circuitry that calculates the wind speed and direction from the signals. The force measurement is proportional to the square of the wind speed. Since it is a vector quantity, it can also be used to derive wind direction. The vortex shedding frequency is a scalar quantity and is linearly proportional to wind speed. This frequency can be calculated by analyzing the force measurements generated by the strain gages over time. Both of the wind velocity calculations can be advantageously used by the processing circuitry to generate an accurate wind velocity reading.

Jan A Zysko↗
NASA NTRS1976

Cyclic debonding of unidirectional composite bonded to aluminum sheet for constant-amplitude loading

Cyclic debonding rates were measured during constant-amplitude loading of specimens made of graphite/epoxy bonded to aluminum and S-glass/epoxy bonded to aluminum. Both room-temperature and elevated-temperature curing adhesives were used. Debonding was monitored with a photoelastic coating technique. The debonding rates were compared with three expressions for strain-energy release rate calculated in terms of the maximum stress, stress range, or a combination of the two. The debonding rates were influenced by both adherent thickness and the cyclic stress ratio. For a given value of maximum stress, lower stress ratios and thicker specimens produced faster debonding. Microscopic examination of the debonded surfaces showed different failure mechanisms both for identical adherends bonded with different adhesive and, indeed, even for different adherends bonded with identical adhesives. The expressions for strain-energy release rate correlated the data for different specimen thicknesses and stress ratios quite well for each material system, but the form of the best correlating expression varied among material systems. Empirical correlating expressions applicable to one material system may not be appropriate for another system.

Roderick, G. L.↗
NASA NTRS1999

Electro-mechanical Properties of Carbon Nanotubes: Effect of Small Tensile and Torsional Strains

We present a simple picture to calculate the bandgap ($E_g$) of carbon nanotubes (CNT) in the presence of uniform torsional and tensile strain ($\sigma$). We find that under tensile strain, $ absolute value of dE_g/d\sigma$ of zig-zag tubes is approximately equal to $3t_0$, where $t_0$ is the hopping parameter. Further, $ absolute value of dE_g/d\sigma$ decreases as the chirality changes to armchair, where it takes the value zero. The sign of $dE_g/d\sigma$ follows the $(N_x-N_y) *mod 3$(equal to - 1, 0 and +1) rule. In contrast to the above, we show that under torsional strain, $absolute value of dE_g/d\sigma$ of armchair tubes is approximately equal to $3t_0$ and continually decreases as the chirality changes to zig-zag, where is takes a small value. The sign of $dE_g/d\sigma$ again follows the $(N_x-N_y)*mod 3$ rule. Finally, we predict a change in the sign of $dE_g/d\sigma$ as function of strain, corresponding to a change in the value of $q$ that corresponds to the bandgap minimum.

Anantram, M. P.↗
NASA NTRS1987

Tectonic motion in the western United States inferred from very long baseline interferometry measurements, 1980-1986

Over six years of mobile very long baseline interferometry (VLBI) baseline measurements between 12 sites in the western U.S. were used to infer their velocities relative to the North American plate. These velocities were found to be generally consistent with those determined from geologic data and contemporaneous satellite laser ranging measurements in the same region. The discrepancy between the largest velocities determined from the VLBI measurements of 40-48 mm/yr and the relative plate velocity of 50-56 mm/yr predicted from plate motion models is found to be consistent with a broadened distribution of interseismic strain from cyclic activity on the San Andreas and subsidiary faults. The VLBI data are best explained by a cumulative rate of strike-slip motion near the plate boundary of approximately 48 mm/yr, although exclusion of competing values of 56 and 41 mm/yr is based upon very few data. The rates of offshore fault slip inferred from this study range from about 15 mm/yr in central California to negligible amounts in the San Francisco region. Finite element calculations of multiple fault strain distributions show good agreement with systematic variations in the distribution of shear strain along the San Andreas system, as revealed by previous geodetic measurements.

Kroger, Peter M.↗