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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Effect of mesh distortion on the accuracy of transverse shear stresses and their sensitivity coefficients in multilayered composites

A study is made of the effect of mesh distortion on the accuracy of transverse shear stresses and their first-order and second-order sensitivity coefficients in multilayered composite panels subjected to mechanical and thermal loads. The panels are discretized by using a two-field degenerate solid element, with the fundamental unknowns consisting of both displacement and strain components, and the displacement components having a linear variation throughout the thickness of the laminate. A two-step computational procedure is used for evaluating the transverse shear stresses. In the first step, the in-plane stresses in the different layers are calculated at the numerical quadrature points for each element. In the second step, the transverse shear stresses are evaluated by using piecewise integration, in the thickness direction, of the three-dimensional equilibrium equations. The same procedure is used for evaluating the sensitivity coefficients of transverse shear stresses. Numerical results are presented showing no noticeable degradation in the accuracy of the in-plane stresses and their sensitivity coefficients with mesh distortion. However, such degradation is observed for the transverse shear stresses and their sensitivity coefficients. The standard of comparison is taken to be the exact solution of the three-dimensional thermoelasticity equations of the panel.

Noor, Ahmed K.↗
NASA NTRS1996

Experimental Studies in Helicopter Vertical Climb Performance

Data and analysis from an experimental program to measure vertical climb performance on an eight-foot model rotor are presented. The rotor testing was performed using a unique moving-model facility capable of accurately simulating the flow conditions during axial flight, and was conducted from July 9, 1992 to July 16, 1992 at the Dynamic Model Track, or 'Long Track,' just prior to its demolition in August of 1992. Data collected during this brief test program included force and moment time histories from a sting-mounted strain gauge balance, support carriage velocity, and rotor rpm pulses. In addition, limited video footage (of marginal use) was recorded from smoke flow studies for both simulated vertical climb and descent trajectories. Analytical comparisons with these data include a series of progressively more detailed calculations ranging from simple momentum theory, a prescribed wake method, and a free-wake prediction.

McKillip, Robert M., Jr.↗
NASA NTRS1996

Effect of chemistry and turbulence on NO formation in oxygen-natural gas flames

The effects of chemistry and turbulence on NO formation in oxygen-natural turbulent diffusion flames gas flames have been investigated. The chemistry of nitric oxides has been studied numerically in the counterflow configuration. Systematic calculations with the GRI 2.11 mechanism for combustion of methane and NO chemistry were conducted to provide a base case. It was shown that the 'simple' Zeldovich mechanism accounts for more than 75% of N2 consumption in the flame in a range of strain-rates varying between 10 and 1000 s-l. The main shortcomings of this mechanism are: 1) overestimation (15%) of the NO production rate at low strain-rates because it does not capture the reburn due to the hydrocarbon chemistry, and 2) underestimation (25%) of the NO production rate at high strainrates because it ignores NO production through the prompt mechanism. Reburn through the Zeldovich mechanism alone proves to be significant at low strain-rates. A one-step model based on the Zeldovich mechanism and including reburn has been developed. It shows good agreement with the GRI mechanism at low strain-rates but underestimates significantly N2 consumption (about 50%) at high strain-rates. The role of turbulence has been assessed by using an existing 3-D DNS data base of a diffusion flame in decaying turbulence. Two PDF closure models used in practical industrial codes for turbulent NO formation have been tested. A simpler version of the global one-step chemical scheme for NO compared to that developed in this study was used to test the closure assumptions of the PDF models, because the data base could not provide all the necessary ingredients. Despite this simplification, it was possible to demonstrate that the current PDF models for NO overestimate significantly the NO production rate due to the fact that they neglect the correlations between the fluctuations in oxygen concentration and temperature. A single scalar PDF model for temperature that accounts for such correlations based on laminar flame considerations has been developed and showed excellent agreement with the values given by the DNS.

Samaniego, J. -M.↗
NASA NTRS1996

Effect of a hypergravity environment on cortical bone elasticity in rats

There is considerable interest in determining whether hypergravity can be used as a countermeasure for microgravity-induced bone loss. This study was conducted on 20 immature male rats in order to investigate possible elastic adaptations of cortical bone in rapidly growing rats exposed to chronic hypergravity. Ten rats were continuously centrifuged for 14 days at twice gravitational acceleration (2G) on a 12.75 foot radius centrifuge and 10 rats concurrently acted as stationary controls. The effect of hypergravity on the elastic characteristics of cortical bone was quantified via ultrasonic wave propagation. Propagation velocities of longitudinal and shear waves were measured through cubic cortical specimens from the posterior femoral diaphyses. Density was measured with an Archimedes' technique. The orthotropic elastic properties were calculated and used to compare the difference between groups. Results showed an average increase in both the Young's moduli (Eii, + 2.2%) and shear moduli (Gij, + 4.3%) with a statistically significant increase only in G12 (+15.7%, P = 0.046). The ratio of transverse to axial strain (Poisson's ratio, nuij) demonstrated statistically significant changes in nu12, nu21, nu13, and nu31 (P < 0.05). These findings suggest that although slight elastic changes were incurred via a hypergravity environment, the treatment level or duration in this study do not dramatically perturb the normal elastic behavior of cortical bone and that dramatic biomechanical differences noted in previous studies were due more to structural changes than material elasticity changes. Hypergravity applied post facto to a microgravity environment would offer further illucidation of this method as treatment for a degenerative spaceflight experience.

Non-NASA Center↗
NASA NTRS2000

Crystallized N-terminal domain of influenza virus matrix protein M1 and method of determining and using same

The matrix protein, M1, of influenza virus strain A/PR/8/34 has been purified from virions and crystallized. The crystals consist of a stable fragment (18 Kd) of the M1 protein. X-ray diffraction studies indicated that the crystals have a space group of P3.sub.t 21 or P3.sub.2 21. Vm calculations showed that there are two monomers in an asymmetric unit. A crystallized N-terminal domain of M1, wherein the N-terminal domain of M1 is crystallized such that the three dimensional structure of the crystallized N-terminal domain of M1 can be determined to a resolution of about 2.1 .ANG. or better, and wherein the three dimensional structure of the uncrystallized N-terminal domain of M1 cannot be determined to a resolution of about 2.1 .ANG. or better. A method of purifying M1 and a method of crystallizing M1. A method of using the three-dimensional crystal structure of M1 to screen for antiviral, influenza virus treating or preventing compounds. A method of using the three-dimensional crystal structure of M1 to screen for improved binding to or inhibition of influenza virus M1. The use of the three-dimensional crystal structure of the M1 protein of influenza virus in the manufacture of an inhibitor of influenza virus M1. The use of the three-dimensional crystal structure of the M1 protein of influenza virus in the screening of candidates for inhibition of influenza virus M1.

Luo, Ming↗
DOE OSTI2021

Engineering local strain for single-atom nuclear acoustic resonance in silicon

Mechanical strain plays a key role in the physics and operation of nanoscale semiconductor systems, including quantum dots and single-dopant devices. In this report we describe the design of a nanoelectronic device, where a single nuclear spin is coherently controlled via nuclear acoustic resonance (NAR) through the local application of dynamical strain. The strain drives spin transitions by modulating the nuclear quadrupole interaction. We adopt an AlN piezoelectric actuator compatible with standard silicon metal–oxide–semiconductor processing and optimize the device layout to maximize the NAR drive. We predict NAR Rabi frequencies of order 200 Hz for a single 123Sb nucleus in a wide region of the device. Spin transitions driven directly by electric fields are suppressed in the center of the device, allowing the observation of pure NAR. Using electric field gradient-elastic tensors calculated by the density-functional theory, we extend our predictions to other high-spin group-V donors in silicon and to the isoelectronic 73Ge atom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Observation of large Rashba spin–orbit coupling at room temperature in compositionally engineered perovskite single crystals and application in high performance photodetectors

Indirect absorption extended below the direct transition edge and increase in carrier lifetime derived from Rashba spin–orbit coupling may advance the optoelectronic applications of metal halide perovskites. Spin-orbit coupling in halide perovskites is due to the presence of heavy elements in their structure. However, when these materials lack an inversion symmetry, for example by the application of strain, spin–orbit coupling becomes odd in the electron’s momentum giving rise to a splitting in the electronic energy bands. Here we report on the observation of a large Rashba splitting of 117 meV at room temperature, as predicted by relativistic first-principles calculations, in halide perovskite single crystals through a facile compositional engineering approach. Partial substitution of organic cations by rubidium in single crystals induces significant indirect absorption and dual peak photoluminescence as a result of a large Rashba splitting. We measured circularly polarized photoluminescence and magneto-photoluminescence in perovskite films printed by single crystals as well as magneto-electroluminescence and magneto-photocurrent in spin-LEDs based on perovskite single crystals. They indicated significant spin-momentum locking due to the large Rashba effect. A hybrid perovskite single crystal photodetector achieved record figures of merit, including detectivity of more than 1.3 × 10 18 Jones which represents a three orders of magnitude improvement compared to the to date record. Furthermore, these findings show that facile compositional engineering of perovskite single crystals holds great promise for further advancing the optoelectronic properties of existing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of surface undulations on asymmetric X-ray diffraction: a rocking-curve topography study

The results are reported of an X-ray diffraction study of an Si crystal designed and fabricated for very asymmetric diffraction from the 333 reflection for X-ray energies of 8.100 and 8.200 keV. A crystal with an asymmetry angle of 46 ± 0.1° between the surface and the (111) planes was studied. The grazing angles of incidence were near 1.08 and 0.33° for these two energies, respectively. Features arising from surface undulations were not observed at 8.100 keV, but were observed at 8.200 keV. The results at 8.100 keV allow an alternative explanation based on strain near the surface to be ruled out. Topographic images were obtained as a function of rocking angle, and in the case of 8.200 keV the surface morphology is evident. Finally, the results are found to be in agreement with dynamical X-ray diffraction calculations made with the Takagi–Taupin equations specialized to a surface having convex or concave features, as reported in the accompanying paper [Macrander (2020). J. Appl. Cryst. 53 , 793–799].

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integrated design of aluminum-enriched high-entropy refractory B2 alloys with synergy of high strength and ductility

Refractory high-entropy alloys (RHEAs) are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers using integrated high-throughput machine learning with Monte Carlo simulations supplemented by ab initio calculations to effectively navigate phase selection and mechanical property predictions, developing single-phase ordered B2 aluminum-enriched RHEAs (Al-RHEAs) demonstrating high strength and ductility. These Al-RHEAs achieve remarkable mechanical properties, including compressive yield strengths up to 1.7 gigapascals, fracture strains exceeding 50%, and notable high-temperature strength retention. They also demonstrate a tensile yield strength of 1.0 gigapascals with a ductility of 9%, albeit with B2 ordering. Furthermore, we identify valence electron count domains for alloy ductility and brittleness with the explanation from density functional theory and provide crucial insights into elemental influence on atomic ordering and mechanical performance. The work sets forth a strategic blueprint for high-throughput alloy design and reveals fundamental principles governing the mechanical properties of advanced structural alloys.

Science & Technology - Other Topics↗
DOE OSTI2023

A Novel Spatio-Temporal Regime Tracking Method for Impact Simulations

In this proposal, we present a novel method of tracking the rheological regimes activated during impact cratering events that will allow researchers to gain new insights into cratering mechanics. Rheology describes the stress-strain response of rocks to different conditions. Planetary impact cratering events often occur on too large of a scale to be feasibly captured in controlled experiments. Instead, these dynamic events are primarily studied using multi-physics codes equipped with complex material models that enable calculations of the impact event at scale. However, determining which physical processes are required for the problem of interest is challenging. Because the dominant rheological regimes change with space and time during crater formation, it is difficult to link numerical simulations with observable features of craters at the end of the event. The basis of this work is the implementation of numerical flags that track the activation of each rheological regime throughout impact simulations. We demonstrate this with the ‘Rock Model’ implemented in the CTH shock-physics code. We will use this rheology tracking method to ’zoom in’ on a specific region within an event and track the conditions the rock experiences over time. This work will develop community benchmarks to validate and distribute our implemented rheological models. We will focus on improving the melt models used by the planetary impact modeling community by developing an EOS-aware rheological transition from solid to melt. Through analysis of cell and tracer-particle based tracking data, we will study the effects of different rheologies on modeled outcomes, particularly on the volume and distributions of impacts melts. We will also use this method to link observable features with the rheological mechanisms responsible for them. The deliverables (peer-reviewed papers) from the proposed work are (i) tests of the implemented rheologic processes and demonstrations of the tracking flags; (ii) the first calculations of the spatio-temporal evolution of the dominant rheologies during impact cratering events; and (iii) application to delivery of impactor iron during basin-scale impacts.

58 GEOSCIENCES↗
NASA NTRS1986

A kinetic model for the thermal nitridation of SiO2/Si

To explain the observed nitrogen distributions in thermally nitridated SiO2 films, a kinetic model is proposed in which the nitridation process is simulated, using the first-order chemical kinetics and Arrhenius dependence of the diffusion and reaction rates on temperature. The calculations show that initially, as the substrate reacts with diffusing nitrogen, a nitrogen-rich oxynitride forms at the SiO2-Si interface, while at nitridation temperatures above 1000 C, an oxygen-rich oxynitride subsequently forms at the interface, due to reaction of the substrate with an increasingly concentrated oxygen displaced by the slower nitridation of the SiO2. This sequence of events results in a nitrogen distribution in which the peak of the interfacial nitrogen concentration occurs away from the interface. The results are compared with the observed nitrogen distribution. The calculated results have correctly predicted the positions of the interfacial nitrogen peaks at the temperatures of 800, 1000, and 1150 C. To account for the observed width of the interfacial nitrogen distribution, it was found necessary to include in the simulations the effect of interfacial strain.

Vasquez, R. P.↗
NASA NTRS1990

Finite element elastic-plastic-creep and cyclic life analysis of a cowl lip

Results are presented of elastic, elastic-plastic, and elastic-plastic-creep analyses of a test-rig component of an actively cooled cowl lip. A cowl lip is part of the leading edge of an engine inlet of proposed hypersonic aircraft and is subject to severe thermal loadings and gradients during flight. Values of stresses calculated by elastic analysis are well above the yield strength of the cowl lip material. Such values are highly unrealistic, and thus elastic stress analyses are inappropriate. The inelastic (elastic-plastic and elastic-plastic-creep) analyses produce more reasonable and acceptable stress and strain distributions in the component. Finally, using the results from these analyses, predictions are made for the cyclic crack initiation life of a cowl lip. A comparison of predicted cyclic lives shows the cyclic life prediction from the elastic-plastic-creep analysis to be the lowest and, hence, most realistic.

Arya, Vinod K.↗
NASA NTRS1991

Finite element elastic-plastic-creep and cyclic life analysis of a cowl lip

Results are presented of elastic, elastic-plastic and elastic-plastic-creep analyses of a test-rig component of an actively cooled cowl lip. A cowl lip is part of the leading edge of an engine inlet of proposed hypersonic aircraft and is subject to severe thermal loadings and gradients during flight. Values of stresses calculated by elastic analysis are well above the yield strength of the cowl lip material. Such values are highly unrealistic, and thus elastic stress analyses are inappropriate. The inelastic (elastic-plastic and elastic-plastic-creep) analyses produce more reasonable and acceptable stress and strain distributions in the component. Finally, using the results from these analyses, predictions are made for the cyclic crack initiation life of a cowl lip. A comparison of predicted cyclic lives shows the cyclic life prediction from the elastic-plastic-creep analysis to be the lowest and, hence, most realistic.

Arya, V. K.↗
NASA NTRS1995

Mode 1 and Mode 2 Analysis of Graphite/Epoxy Composites Using Double Cantilever Beam and End-Notched Flexure Tests

The critical strain energy release rates associated with debonding of the adhesive bondlines in graphite/epoxy IM6/3501-6 interlaminar fracture specimens were investigated. Two panels were manufactured for this investigation; however, panel two was layed-up incorrectly. As a result, data collected from Panel Two serves no real purpose in this investigation. Double Cantilever Beam (DCB) specimens were used to determine the opening Mode I interlaminar fracture toughness, G1(sub c), of uni-directional fiber re-inforced composites. The five specimens tested from Panel One had an average value of 946.42J/sq m for G1(sub c) with an acceptable coefficient of variation. The critical strain energy release rate, G2(sub c), for initiation of delamination under inplane shear loading was investigated using the End-Notched Flexure (ENF) Test. Four specimens were tested from Panel One and an average value of 584.98J/sq m for G2(sub c) was calculated. Calculations from the DCB and ENF test results for Panel One represent typical values of G1(sub c) and G2(sub c) for the adhesive debonding in the material studied in this investigation.

Hufnagel, Kathleen P.↗
DOE OSTI2020

TiO2 Nanocrystal-Framed Li 2 TiSiO 5 Platelets for Low-Voltage Lithium Battery Anode

Titanium-based anode materials are attracting considerable attention for use in high-performance lithium-ion batteries, but the compromised energy density caused by high voltage plateaus and unsatisfactory capacities severely retards their practical applications. Herein, a molten-salt synthesis of Li 2 TiSiO 5 crystalline platelets and a subsequent selective facet modification by in situ growth of TiO 2 nanocrystal frames are facilely achieved. The discharge voltage plateau at around 0.5 V renders the Li 2 TiSiO 5 anode safe compared with graphite and confers a high energy density compared with zero-strain Li 4 Ti 5 O 12 anode. With the optimized size, structure, and content of modified TiO2 nanocrystals associated with the exposed (001) plane of Li 2 TiSiO 5 , the Li 2 TiSiO 5 -based anodes can deliver a capacity of above 300 mAh g -1 , enhanced rate performance, and a capacity retention of 66% after 10 000 cycles. In situ X-ray diffraction and ex situ transmission electron microscopy have demonstrated the structural stability of the anodes upon charge/discharge. Further theoretical calculation reveals 3D migration paths of Li + ions in Li 2 TiSiO 5 . The selective modification of in situ grown TiO2 nanocrystals on certain facets of crystallites opens a new door for the development of electrode materials possessing superior electrochemical properties.

anodes↗
DOE OSTI2024

Comparison of interband related optical transitions and excitons in ZnGeN 2 and GaN

The optical dielectric function of ZnGeN 2 is calculated from the interband transitions using the energy bands calculated in the quasiparticle self-consistent (QS)GW^ method using two different levels of approximation: the independent particle approximation (IPA) and the Bethe-Salpeter Equation (BSE) approach. The first allows us to relate peaks in ε 2 to specific bands and k-points but does not include electron-hole interaction effects. The second includes electron-hole interaction or excitonic effects. The corresponding changes in the shape of ε 2 (ω) are found to be similar to those in GaN. The screened Coulomb interaction W^ is here calculated including electron-hole interactions in the polarization function and gives a band structure already going beyond the random phase approximation. The static dielectric constants including only electronic screening, commonly referred to as ε∞ , were calculated separately by extrapolating the wave vector dependent macroscopic dielectric function in the long-wavelength limit. Below the quasiparticle gap, we find three bound excitons optically active for different polarization. The convergence of these bound excitons with respect to the density of the k-mesh used in the BSE is studied and found to require a fine mesh. It is also found that these bound excitons originate from only the lowest conduction band and the top three valence bands. To incorporate the lattice screening, we include a scaling factor (ε∞/ε 0 ) 2 , which allows us to obtain exciton binding energies of the correct order of magnitude similar to those in GaN. Here, the excitons are related to each of the three fold split valence bands and the splittings of the latter are also studied as function of strain. Finally, a relation between the anisotropic effective masses and the valence band splitting is pointed out and explained.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Perspective on ferroelectricity in hafnium oxide: Mechanisms and considerations regarding its stability and performance

Ferroelectric hafnium oxides are poised to impact a wide range of microelectronic applications owing to their superior thickness scaling of ferroelectric stability and compatibility with mainstream semiconductors and fabrication processes. For broad-scale impact, long-term performance and reliability of devices using hafnia will require knowledge of the phases present and how they vary with time and use. In this Perspective article, the importance of phases present on device performance is discussed, including the extent to which specific classes of devices can tolerate phase impurities. Following, the factors and mechanisms that are known to influence phase stability, including substituents, crystallite size, oxygen point defects, electrode chemistry, biaxial stress, and electrode capping layers, are highlighted. Herein, discussions will focus on the importance of considering both neutral and charged oxygen vacancies as stabilizing agents, the limited biaxial strain imparted to a hafnia layer by adjacent electrodes, and the strong correlation of biaxial stress with resulting polarization response. Areas needing additional research, such as the necessity for a more quantitative means to distinguish the metastable tetragonal and orthorhombic phases, quantification of oxygen vacancies, and calculation of band structures, including defect energy levels for pure hafnia and stabilized with substituents, are emphasized.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Optimal output fast feedback in two-time scale control of flexible arms

Control of lightweight flexible arms moving along predefined paths can be successfully synthesized on the basis of a two-time scale approach. A model following control can be designed for the reduced order slow subsystem. The fast subsystem is a linear system in which the slow variables act as parameters. The flexible fast variables which model the deflections of the arm along the trajectory can be sensed through strain gage measurements. For full state feedback design the derivatives of the deflections need to be estimated. The main contribution of this work is the design of an output feedback controller which includes a fixed order dynamic compensator, based on a recent convergent numerical algorithm for calculating LQ optimal gains. The design procedure is tested by means of simulation results for the one link flexible arm prototype in the laboratory.

Siciliano, B.↗