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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Observations of Glide and Decomposition of a<101> Dislocations at High Temperatures in Ni-Al Single Crystals Deformed along the Hard Orientation

Ni-44at.% Al and Ni-50at.% single crystals were tested in compression in the hard (001) orientations. The dislocation processes and deformation behavior were studied as a function of temperature, strain and strain rate. A slip transition in NiAl occurs from alpha(111) slip to non-alphaaaaaaaaaaa9111) slip at intermediate temperatures. In Ni-50at.% Al single crystal, only alpha(010) dislocations are observed above the slip transition temperature. In contrast, alpha(101)(101) glide has been observed to control deformation beyond the slip transition temperature in Ni-44at.%Al. alpha(101) dislocations are observed primarily along both (111) directions in the glide plane. High-resolution transmission electron microscopy observations show that the core of the alpha(101) dislocations along these directions is decomposed into two alpha(010) dislocations, separated by a distance of approximately 2nm. The temperature window of stability for these alpha(101) dislocations depends upon the strain rate. At a strain rate of 1.4 x 10(exp -4)/s, lpha(101) dislocations are observed between 800 and 1000K. Complete decomposition of a alpha(101) dislocations into alpha(010) dislocations occurs beyond 1000K, leading to alpha(010) climb as the deformation mode at higher temperature. At lower strain rates, decomposition of a alpha(101) dislocations has been observed to occur along the edge orientation at temperatures below 1000K. Embedded-atom method calculations and experimental results indicate that alpha(101) dislocation have a large Peieris stress at low temperature. Based on the present microstructural observations and a survey of the literature with respect to vacancy content and diffusion in NiAl, a model is proposed for alpha(101)(101) glide in Ni-44at.%Al, and for the observed yield strength versus temperature behavior of Ni-Al alloys at intermediate and high temperatures.

Srinivasan, R.↗
NASA NTRS2003

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

Good, Brian S.↗
NASA NTRS2016

Applications of Displacement Transfer Functions to Deformed Shape Predictions of the GIII Swept-Wing Structure

The displacement transfer functions (DTFs) were applied to the GIII swept wing for the deformed shape prediction. The calculated deformed shapes are very close to the correlated finite element results as well as the measured data. The convergence study showed that using 17 strain stations, the wing-tip displacement prediction error was 1.6 percent, and that there is no need to use a large number of strain stations for G-III wing shape predictions.

on board string sensing system↗
NASA NTRSDate not supplied

Natural Fiber Simulations and Analysis for Composites

As the U.S. government and the aviation industry strive to achieve net-zero carbon emissions by 2050, the Sustainable Manufacturing of Aircraft (SUMAC) project, supported by the Convergent Aeronautics Solutions (CAS) program of the National Aeronautics and Space Administration (NASA), aims to develop sustainably derived thermoplastic composites and manufacturing technologies for future aviation. A multidisciplinary team of experts drives this initiative through a collective effort. The team’s key focus areas are sustainably derived thermoplastic resins, natural fiber reinforcement, composite manufacturing, structural health monitoring, computational materials modeling, and systems analysis. This presentation will give an overview of the SUMAC project. Fiber-scale microscopy analysis characterized fiber cross sections finding that hemp and flax fibers are very deformable and non-circular (circularities of 0.2 were observed), and diameters range from submicron to 20 μm. Fiber shapes range from flattened, with aspect ratios Rlong/Rshort up to 5, to round, Rlong/Rshort =1. And Fiber core perimeters, which likely drives deformability, were calculated Pcore=7 μm. Explicit-fiber yarn simulations, parameterized from single-fiber measurements, resolved and identified slack as a cause for yarn strain-hardening tensile behavior. The bonded network model of PLA, PHA and PA11 resins captures tensile behavior, and can model an infused weave. Computational models of the weave unit cells matched the pattern (including plain, twill and triaxial braid), yarn ply (1to 2), and yarn twist from optical microscopy.

thermoplastic↗
NASA NTRSDate not supplied

Natural Fiber Simulations and Analysis for Composites

As the U.S. government and the aviation industry strive to achieve net-zero carbon emissions by 2050, the Sustainable Manufacturing of Aircraft (SUMAC) project, supported by the Convergent Aeronautics Solutions (CAS) program of the National Aeronautics and Space Administration (NASA), aims to develop sustainably derived thermoplastic composites and manufacturing technologies for future aviation. A multidisciplinary team of experts drives this initiative through a collective effort. The team’s key focus areas are sustainably derived thermoplastic resins, natural fiber reinforcement, composite manufacturing, structural health monitoring, computational materials modeling, and systems analysis. This presentation will give an overview of the SUMAC project. Fiber-scale microscopy analysis characterized fiber cross sections finding that hemp and flax fibers are very deformable and non-circular (circularities of 0.2 were observed), and diameters range from submicron to 20 μm. Fiber shapes range from flattened, with aspect ratios Rlong/Rshort up to 5, to round, Rlong/Rshort =1. And Fiber core perimeters, which likely drives deformability, were calculated Pcore=7 μm. Explicit-fiber yarn simulations, parameterized from single-fiber measurements, resolved and identified slack as a cause for yarn strain-hardening tensile behavior. The bonded network model of PLA, PHA and PA11 resins captures tensile behavior, and can model an infused weave. Computational models of the weave unit cells matched the pattern (including plain, twill and triaxial braid), yarn ply (1to 2), and yarn twist from optical microscopy.

thermoplastic↗
DOE OSTI2024

Strain-modulated intercalated phases of Pb monolayer with dual periodicity in SiC(0001)-graphene interface

Intercalation of metal atoms at the SiC(0001)-graphene (Gr) interface can provide confined 2D metal layers with interesting electronic properties. The intercalated Pb monolayer (ML) has shown the coexistence of the Gr(10 x 10)-moiré and a stripe phase, which still lacks understanding. Using density functional theory calculation and thermal annealing with ab initio molecular dynamics as motivated by experiment, we have studied the formation energy of Gr/Pb/SiC(0001) for different Pb coverages. Near the coverage of a Pb(111)-like ML mimicking the (10 x 10)-moiré, we find a slightly more stable stripe structure, where one half of the structure has compressive strain with Pb occupying the Si-top sites and the other half has tensile strain with Pb off the Si-top sites. This stripe structure along the Gr zigzag direction has a periodicity of 2.3 nm across the [1$\overline{2}$10] direction agreeing with the previous observations using scanning tunneling microscopy. Analysis with electron density difference and density of states show the tensile region has a more metallic character than the compressive region, while both are dominated by charge transfer from Pb ML to SiC(0001). As a result, the small energy difference between the stripe and Pb(111)-like structures means the two phases are almost degenerate and can coexist, which explains the experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiwavelength anomalous X-ray diffraction for combined imaging of atomic displacement and strain

The X-ray Bragg coherent diffractive imaging (CDI) technique assumes that the structure factor holds constant over the measured crystal. This approximation breaks down for materials exhibiting variations in the unit-cell configuration, such as piezo- and ferroelectrics. In that case, the strain field cannot be reliably determined from the reconstruction because the lattice deformation and the structure factor contribute concomitantly. Proposed here is a solution to this problem achieved by combining Bragg CDI and the multiwavelength anomalous diffraction approach that measures a Friedel pair of reflections at two different photon energies near an absorption edge. Comparing the obtained reconstructions with a parametric model that includes calculating the scattering amplitude as a function of wavelength and the unit-cell configuration, the contributions of the lattice deformation and the structure factor are separated. Simulations of the ferroelectric material BaTiO 3 demonstrate the possibility of simultaneous probing of the strain and displacement of the Ti atoms. The proposed method opens up an opportunity to apply coherent X-ray diffraction for nanoscale-resolved 3D mapping of polarization domains in micro- and nanocrystals.

lattice deformation↗
NASA NTRS2009

Recovering Aerodynamic Side Loads on Rocket Nozzles using Quasi-Static Strain-Gage Measurements

During over-expanded operation of rocket nozzles, which is defined to be when the exit pressure is greater than internal pressure over some part of the nozzle, the nozzle will experience a transverse forcing function due to the pressure differential across the nozzle wall. Over-expansion occurs during the nozzle start-up and shutdown transient, even in high-altitude engines, because most test facilities cannot completely reproduce the near-vacuum pressures at those altitudes. During this transient, the pressure differential moves axially down the nozzle as it becomes pressurized, but this differential is never perfectly symmetric circumferentially. The character of the forcing function is highly complex and defined by a series of restricted and free shock separations. The subject of this paper is the determination of the magnitude of this loading during sub-scale testing via measurement of the structural dynamic response of the nozzle and its support structure. An initial attempt at back-calculating this load using the inverse of the transfer function was performed, but this attempt was shown to be highly susceptible to numerical error. The final method chosen was to use statically calibrated strain data and to filter out the system fundamental frequency such that the measured response yields close to the correct dynamic loading function. This method was shown to capture 93% of the pressure spectral energy using controlled load shaker testing. This method is one of the only practical ways for the inverse determination of the forcing function for non-stationary excitations, and, to the authors' knowledge, has not been described in the literature to date.

Brown, Andrew↗
DOE OSTI2022

Phase Field Dislocation Dynamics (PFDD) version 2.x

This disclosure is for version 2.x of a mesoscale model called Phase Field Dislocation Dynamics (PFDD). PFDD is used for investigating deformation in nanoscale (grain sizes of ~300 nm and less) materials, such as metals and alloys. This approach models the motion and interaction of individual defects, namely dislocations, in the material using scalar-valued phase field variables, also called order parameters. The system is evolved through energy minimization thus the model calculates the total energy density in terms of the phase field variables. The energy minimization is completed using the Ginzburg-Landau equation, and is implemented with explicit time integration. The total system energy can be comprised of several terms, including the strain energy (which describes dislocation-dislocation interactions), the energy due to an applied stress (dislocation interactions with the applied stress), and a core/lattice (perfect dislocations) or generalized stacking fault (partial dislocations) energy (described the dislocation core structure). The latter term in particular may vary based on the crystal structure being modeled and is typically informed using lower length scale (e.g., atomistic) approaches, although no such (atomistic) calculations are completed within the PFDD algorithm. This basic formulation was previously reviewed by Los Alamos National Laboratory and released under license number C17113. This previously reviewed version we will henceforth refer to as PFDD v1.0. PFDD v1.0 consisted of 2 codes (one parallel and one serial) plus input files, all written in the C language. This new disclosure is addressing the next versions of the PFDD, versions 2.x. There have been several enhancements of PFDD v1.0, which are described here and included in the attached code, which we will refer to as PFDD v2.0. There are also several new features described here that are either planned or already in process and are expected to be subsequent releases, i.e., v2.1, v2.2, ...v2.x.

Hunter, Abigail↗
DOE OSTI2023

Emergent and robust ferromagnetic-insulating state in highly strained ferroelastic LaCoO 3 thin films

Transition metal oxides are promising candidates for the next generation of spintronic devices due to their fascinating properties that can be effectively engineered by strain, defects, and microstructure. An excellent example can be found in ferroelastic LaCoO 3 with paramagnetism in bulk. In contrast, unexpected ferromagnetism is observed in tensile-strained LaCoO 3 films, however, its origin remains controversial. Here we simultaneously reveal the formation of ordered oxygen vacancies and previously unreported long-range suppression of CoO 6 octahedral rotations throughout LaCoO 3 films. Supported by density functional theory calculations, we find that the strong modification of Co 3d-O 2p hybridization associated with the increase of both Co-O-Co bond angle and Co-O bond length weakens the crystal-field splitting and facilitates an ordered high-spin state of Co ions, inducing an emergent ferromagnetic-insulating state. Our work provides unique insights into underlying mechanisms driving the ferromagnetic-insulating state in tensile-strained ferroelastic LaCoO 3 films while suggesting potential applications toward low-power spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unprecedented lattice volume expansion on doping stereochemically active Pb 2+ into uniaxially strained structure of CaBa 1- x Pb x Zn 2 Ga 2 O 7

Lone pair cations like Pb 2+ are extensively utilized to modify and tune physical properties, such as nonlinear optical property and ferroelectricity, of some specific structures owing to their preference to adopt a local distorted coordination environment. Here we report that the incorporation of Pb 2+ into the polar “114”-type structure of CaBaZn 2 Ga 2 O 7 leads to an unexpected cell volume expansion of CaBa 1- x Pb x Zn 2 Ga 2 O 7 (0 ≤ x ≤ 1), which is a unique structural phenomenon in solid state chemistry. Structure refinements against neutron diffraction and total scattering data and theoretical calculations demonstrate that the unusual evolution of the unit cell for CaBa 1- x Pb x Zn 2 Ga 2 O 7 is due to the combination of the high stereochemical activity of Pb 2+ with the extremely strained [Zn 2 Ga 2 O 7 ] 4- framework along the c -axis. The unprecedented cell volume expansion of the CaBa 1- x Pb x Zn 2 Ga 2 O 7 solid solution in fact is a macroscopic performance of the release of uniaxial strain along c -axis when Ba 2+ is replaced with smaller Pb 2+ .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Calculation of thermomechanical fatigue life based on isothermal behavior

The isothermal and thermomechanical fatigue (TMF) crack initiation response of a hypothetical material was analyzed. Expected thermomechanical behavior was evaluated numerically based on simple, isothermal, cyclic stress-strain - time characteristics and on strainrange versus cyclic life relations that have been assigned to the material. The attempt was made to establish basic minimum requirements for the development of a physically accurate TMF life-prediction model. A worthy method must be able to deal with the simplest of conditions: that is, those for which thermal cycling, per se, introduces no damage mechanisms other than those found in isothermal behavior. Under these assumed conditions, the TMF life should be obtained uniquely from known isothermal behavior. The ramifications of making more complex assumptions will be dealt with in future studies. Although analyses are only in their early stages, considerable insight has been gained in understanding the characteristics of several existing high-temperature life-prediction methods. The present work indicates that the most viable damage parameter is based on the inelastic strainrange.

Halford, Gary R.↗
NASA NTRS1987

Calculation of thermomechanical fatigue life based on isothermal behavior

The isothermal and thermomechanical fatigue (TMF) crack initiation response of a hypothetical material was analyzed. Expected thermomechanical behavior was evaluated numerically based on simple, isothermal, cyclic stress-strain-time characteristics and on strainrange versus cyclic life relations that have been assigned to the material. The attempt was made to establish basic minimum requirements for the development of a physically accurate TMF life-prediction model. A worthy method must be able to deal with the simplest of conditions: that is, those for which thermal cycling, per se, introduces no damage mechanisms other than those found in isothermal behavior. Under these assumed conditions, the TMF life should be obtained uniquely from known isothermal behavior. The ramifications of making more complex assumptions will be dealt with in future studies. Although analyses are only in their early stages, considerable insight has been gained in understanding the characteristics of several existing high-temperature life-prediction methods. The present work indicates that the most viable damage parameter is based on the inelastic strainrange.

Halford, G. R.↗
DOE OSTI2026

Flame dynamics and kinetic coupling of ammonia and dimethyl-ether in non-premixed cool and warm flames at elevated pressure

Developing advanced low-temperature combustion engines with ammonia-biofuel blends requires a comprehensive understanding of low-temperature flame dynamics and kinetic interactions between ammonia and oxygenated fuels at elevated pressures. This work aims to study the dynamics and kinetics of non-premixed Dimethyl Ether (DME)/Ammonia (NH 3 ) cool and warm flames, and their reignition to hot flames. A counterflow burner is employed to establish DME/NH 3 cool/warm flames at pressures up to 5 atm. The extinction limits of cool flame and the reignition limits of warm flame to hot flame are measured by varying NH 3 concentrations and compared to simulations to quantitatively examine the effects on DME/NH 3 flames. It is found that NH 3 inhibits low-temperature DME oxidation and results in lower cool flame extinction limits. Warm flames in the presence of NH 3 are observed for the first time, revealing a non-monotonic effect of NH 3 addition: a small amount of NH 3 presence enhances warm flame chemistry and promotes reignition to hot flames, while a high NH 3 concentration weakens the warm flame. This trend is further explained by 0-D PSR kinetic simulations and 1-D S-curve flame dynamic calculations. Three flame transition regimes between cool flames (CF), warm flames (WF), and hot flames (HF) by different levels of NH 3 additions at a specific strain rate are identified, namely WFHF reignition, WF-CF transition, and WF extinction. Reaction sensitivity analyses of OH at low temperatures show that NH3 inhibits DME oxidation through OH consumption via H-abstraction and the kinetic couplings of RO 2 /NH 2 , RO 2 /NO x , R/NO x , and O 2 QOOH/NO x further suppress the low-temperature branching. At intermediate-temperatures, NH 2 /NO x /HO 2 coupling promotes warm flames via the pathway NH 2 → H 2 NO → HNO → NO by converting O 2 → HO 2 → OH. At even higher NH₃ concentrations, radical termination reactions of NH 2 + NO/NO 2 and excessive OH consumption via H-abstraction inhibit the flame. The insights into the kinetic coupling between NH 3 and low-temperature chemistry at elevated pressure and its impact on the dynamics of cool-warm-hot flame transitions will contribute to advancing combustion technologies with reduced emissions and improved energy-efficiency.

42 ENGINEERING↗
NASA NTRS1984

Uniaxial stress induced symmetry breaking for muon sites in Fe

Uniaxial stress was used on Fe single crystals to induce muon precession frequency shifts. The frequency shift for a nominally pure Fe sample at 302K was -0.34 + or - .023 MHz per 100 microstrain along the 100 magnetization axis. This corresponds to a change of magnetic field at the muon of 25.1 + to 1.6G/100 magnetic moment. For an Fe (3wt%Si) single crystal the shifts were -0.348 + or - .008 MHz/100 magnetic moment. The agreement between the shifts for Fe and Fe(3wt%Si) shows the effect to be intrinsic to iron and not strongly impurity sensitive. These shifts and their temperature dependence (1/T) are dominated by the effect of strain inducted population shifts between crystallographically equivalent, but mgnetically inequivalent sites. Their magnitudes are in good agreement ith previous theoretical predictions and by previous extrapolation from calculations on Nb and V especially if both 4T(0) and 1T sites contribute comparably.

Kossler, W. J.↗
NASA NTRS1987

Surface flaw reliability analysis of ceramic components with the SCARE finite element postprocessor program

The SCARE (Structural Ceramics Analysis and Reliability Evaluation) computer program on statistical fast fracture reliability analysis with quadratic elements for volume distributed imperfections is enhanced to include the use of linear finite elements and the capability of designing against concurrent surface flaw induced ceramic component failure. The SCARE code is presently coupled as a postprocessor to the MSC/NASTRAN general purpose, finite element analysis program. The improved version now includes the Weibull and Batdorf statistical failure theories for both surface and volume flaw based reliability analysis. The program uses the two-parameter Weibull fracture strength cumulative failure probability distribution model with the principle of independent action for poly-axial stress states, and Batdorf's shear-sensitive as well as shear-insensitive statistical theories. The shear-sensitive surface crack configurations include the Griffith crack and Griffith notch geometries, using the total critical coplanar strain energy release rate criterion to predict mixed-mode fracture. Weibull material parameters based on both surface and volume flaw induced fracture can also be calculated from modulus of rupture bar tests, using the least squares method with known specimen geometry and grouped fracture data. The statistical fast fracture theories for surface flaw induced failure, along with selected input and output formats and options, are summarized. An example problem to demonstrate various features of the program is included.

Gyekenyesi, John P.↗
NASA NTRS1987

Surface flaw reliability analysis of ceramic components with the SCARE finite element postprocessor program

The SCARE (Structural Ceramics Analysis and Reliability Evaluation) computer program on statistical fast fracture reliability analysis with quadratic elements for volume distributed imperfections is enhanced to include the use of linear finite elements and the capability of designing against concurrent surface flaw induced ceramic component failure. The SCARE code is presently coupled as a postprocessor to the MSC/NASTRAN general purpose, finite element analysis program. The improved version now includes the Weibull and Batdorf statistical failure theories for both surface and volume flaw based reliability analysis. The program uses the two-parameter Weibull fracture strength cumulative failure probability distribution model with the principle of independent action for poly-axial stress states, and Batdorf's shear-sensitive as well as shear-insensitive statistical theories. The shear-sensitive surface crack configurations include the Griffith crack and Griffith notch geometries, using the total critical coplanar strain energy release rate criterion to predict mixed-mode fracture. Weibull material parameters based on both surface and volume flaw induced fracture can also be calculated from modulus of rupture bar tests, using the least squares method with known specimen geometry and grouped fracture data. The statistical fast fracture theories for surface flaw induced failure, along with selected input and output formats and options, are summarized. An example problem to demonstrate various features of the program is included.

Gyekenyesi, J. P.↗