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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.

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At least 127 records · Page 7

Spin qubit properties of the boron-vacancy/carbon defect in the two-dimensional hexagonal boron nitride

Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for defect creation and control, as well as qubit accessibility. In this work, we select the V B C B defect in the hexagonal boron nitride (hBN) as a possible optically controllable spin qubit and explain its triplet ground state and neutrality. In this defect a boron vacancy is combined with a carbon dopant substituting the closest boron atom to the vacancy. Our density-functional-theory calculations confirmed that the system has dynamically stable spin triplet and singlet ground states. As revealed from our linear response GW calculations, the spin-sensitive electronic states are localized around the three undercoordinated N atoms and make local peaks in the density of electronic states within the bandgap. Using the triplet and singlet ground state energies, as well as the energies of the optically excited states, obtained from solution to the Bethe–Salpeter equation, we construct the spin-polarization cycle, which is found to be favorable for the spin qubit initialization. The calculated zero-field splitting parameters ensure that the splitting energy between the spin projections in the triplet ground state is comparable to that of the known spin qubits. We thus propose the V B C B defect in hBN as a promising spin qubit.

2D BN↗

Optically stimulated electron emission - Current-voltage response and spectral sensitivity

A highly reproducible optically stimulated electron emission (OSEE) response steel was achieved in laboratory conditions through suppression of surface photochemistry by replacing air with argon. This permitted the characterization of the OSEE process on D6AC steel as a photodiode. With a low-pressure mercury light source, most of the OSEE current is attributed to photoelectrons released by the 185-nm mercury line with only about 5 percent of the photocurrent associated with the 254-nm line. The forward current-voltage characteristic of the OSEE diode is linear for small fields changing to a square root response at larger fields. These results are all consistent with established theories.

Welch, Christopher S.↗

Elasto-Plastic Analysis of Tee Joints Using HOT-SMAC

The Higher Order Theory - Structural/Micro Analysis Code (HOT-SMAC) software package is applied to analyze the linearly elastic and elasto-plastic response of adhesively bonded tee joints. Joints of this type are finding an increasing number of applications with the increased use of composite materials within advanced aerospace vehicles, and improved tools for the design and analysis of these joints are needed. The linearly elastic results of the code are validated vs. finite element analysis results from the literature under different loading and boundary conditions, and new results are generated to investigate the inelastic behavior of the tee joint. The comparison with the finite element results indicates that HOT-SMAC is an efficient and accurate alternative to the finite element method and has a great deal of potential as an analysis tool for a wide range of bonded joints.

Arnold, Steve M.↗

Multivariable control of VTOL aircraft for shipboard landing

The problem of the automatic landing of VTOL aircraft on small ships is considered. Linear quadratic optimal control theory is used to design a VTOL ship motion tracking controller. Optimal root-loci and step responses are obtained to study the dynamics of the closed-loop system. Standard deviations of the ship motion tracking errors, and of the VTOL control amplitudes are computed, illustrating the tradeoff between accurate tracking, and limited control authority. Multivariable robustness margins are also obtained. The tracking of the vertical motion presents the difficulty of requiring large variations of the VTOL total thrust, a control which is limited both in amplitude and in bandwidth. Lateral controls are less restricted, but the motions are strongly coupled, with some adverse couplings in the ship motions, and in the aircraft dynamics. The advantage of the LQ control theory is demonstrated however, by its ability to account for these couplings in a robust manner, and, when possible, to use them to limit the control amplitudes.

Bodson, M.↗

Predicted and measured strain response of rectangular panels due to acoustic loading

The objective of the research described in this paper is to assess the accuracy of classical linear acceleration/strain prediction theory for flat, rectangular panels excited by low level, acoustic plane waves. Predictions for both aluminum and laminated composite panels were based on the Ritz method using an orthotropic, multi-mode analysis with rotational springs on the boundaries. The measured natural frequencies and critical damping ratio of the panels were empirial inputs to the model. The comparison between measured and predicted acceleration was very good. Although a factor of three bias error was found between measured and predicted strains, the model was good for predicting the trends in the spatial variation in strain across the panel.

Roussos, L. A.↗

Redesign of the mixed-mode bending test for delamination toughness

The mixed-mode bending (MMB) test uses a lever to simultaneously apply mode I and mode II loading to a split-beam specimen. A nonlinear, iterative analysis that accurately predicts the measured load-displacement response and the strain energy release rate, G, of an MMB test, has shown that the errors in G calculated using linear theory can be quite large. The nonlinear analysis was used as a guide in redesigning the MMB apparatus. With the redesigned apparatus, loads are applied through a roller attached to the lever and loaded just above the midplane of the test specimen. The redesigned MMB apparatus has geometric nonlinearity errors of less than 3 percent, even for materials substantially tougher than APC2 (AS4/PEEK). This apparatus was demonstrated by measuring the mixed-mode delamination fracture toughness of APC2. The data from the redesigned MMB apparatus were analyzed with a linear analysis which yielded results similar to those found with the original apparatus and the nonlinear analysis.

Reeder, J. R.↗

Nonlinear Local Bending Response and Bulging Factors for Longitudinal and Circumferential Cracks in Pressurized Cylindrical Shells

Results of a geometrically nonlinear finite element parametric study to determine curvature correction factors or bulging factors that account for increased stresses due to curvature for longitudinal and circumferential cracks in unstiffened pressurized cylindrical shells are presented. Geometric parameters varied in the study include the shell radius, the shell wall thickness, and the crack length. The major results are presented in the form of contour plots of the bulging factor as a function of two nondimensional parameters: the shell curvature parameter, lambda, which is a function of the shell geometry, Poisson's ratio, and the crack length; and a loading parameter, eta, which is a function of the shell geometry, material properties, and the applied internal pressure. These plots identify the ranges of the shell curvature and loading parameters for which the effects of geometric nonlinearity are significant. Simple empirical expressions for the bulging factor are then derived from the numerical results and shown to predict accurately the nonlinear response of shells with longitudinal and circumferential cracks. The numerical results are also compared with analytical solutions based on linear shallow shell theory for thin shells, and with some other semi-empirical solutions from the literature, and limitations on the use of these other expressions are suggested.

Young, Richard D.↗

Assessment of shear deformation theories for multilayered composite plates

A review is made of the different approaches used for modeling multilayered composite plates. Discussion focuses on different approaches for developing two-dimensional shear deformation theories; classification of two-dimensional theories based on introducing plausible displacement, strain and/or stress assumptions in the thickness direction; and first-order shear deformation theories based on linear displacement assumptions in the thickness coordinate. Extensive numerical results are presented showing the effects of variation in the lamination and geometric parameters of simply supported composite plates on the accuracy of the static and vibrational responses predicted by six different modeling approaches (based on two-dimensional shear deformation theories). The standard of comparison is taken to be the exact three-dimensional elasticity solutions. Some of the future directions for research on the modeling of multilayered composite plates are outlined.

Noor, Ahmed K.↗

Galactic echoes

Gaia has revealed a variety of substructures in the phase space of stars in the Solar neighbourhood, including the vertical ‘Snail’ $(z, v_z)$ in space. Such substructures are often interpreted as the incompletely phase-mixed response of the disc stars to a single perturbation, such as an impulsive encounter with a satellite galaxy. In this paper, we consider the possibility that such structures contain manifestations of phase-space echoes. First established in plasma physics in the 1960s, echoes arise when a collisionless system is perturbed twice: the macroscopic responses to both perturbations mix to small scales in phase space, whereupon they couple non-linearly, producing a third macroscopic ‘echo’ response without the need for a third perturbation. We derive the galactic analogue of the plasma echo theory using angle-action variables and apply it to a one-dimensional model of vertical motion in the Milky Way. We verify the predicted echo behaviour using idealized test particle simulations, both with and without the inclusion of diffusion through orbital scattering off molecular clouds. While we conclude that the Gaia Snail itself is unlikely a (pure) echo effect, the basic physics we uncover is sufficiently generic that we expect phase-space echoes to be common in disc galaxies.

Galaxy: evolution↗

A modal aeroelastic analysis scheme for turbomachinery blading

An aeroelastic analysis is developed which has general application to all types of axial-flow turbomachinery blades. The approach is based on linear modal analysis, where the blade's dynamic response is represented as a linear combination of contributions from each of its in-vacuum free vibrational modes. A compressible linearized unsteady potential theory is used to model the flow over the oscillating blades. The two-dimensional unsteady flow is evaluated along several stacked axisymmetric strips along the span of the airfoil. The unsteady pressures at the blade surface are integrated to result in the generalized force acting on the blade due to simple harmonic motions. The unsteady aerodynamic forces are coupled to the blade normal modes in the frequency domain using modal analysis. An iterative eigenvalue problem is solved to determine the stability of the blade when the unsteady aerodynamic forces are included in the analysis. The approach is demonstrated by applying it to a high-energy subsonic turbine blade from a rocket engine turbopump power turbine. The results indicate that this turbine could undergo flutter in an edgewise mode of vibration.

Smith, Todd E.↗

A computational approach to the relationship between radiation induced double strand breaks and translocations

A theoretical framework is presented which provides a quantitative analysis of radiation induced translocations between the ab1 oncogene on CH9q34 and a breakpoint cluster region, bcr, on CH 22q11. Such translocations are associated frequently with chronic myelogenous leukemia. The theory is based on the assumption that incorrect or unfaithful rejoining of initial double strand breaks produced concurrently within the 200 kbp intron region upstream of the second abl exon, and the 16.5 kbp region between bcr exon 2 and exon 6 interact with each other, resulting in a fusion gene. for an x-ray dose of 100 Gy, there is good agreement between the theoretical estimate and the one available experimental result. The theory has been extended to provide dose response curves for these types of translocations. These curves are quadratic at low doses and become linear at high doses.

NASA Discipline Radiation Health↗

Single Droplet Combustion of Decane in Microgravity: Experiments and Numerical Modeling

This paper presents experimental data on single droplet combustion of decane in microgravity and compares the results to a numerical model. The primary independent experiment variables are the ambient pressure and oxygen mole fraction, pressure, droplet size (over a relatively small range) and ignition energy. The droplet history (D(sup 2) history) is non-linear with the burning rate constant increasing throughout the test. The average burning rate constant, consistent with classical theory, increased with increasing ambient oxygen mole fraction and was nearly independent of pressure, initial droplet size and ignition energy. The flame typically increased in size initially, and then decreased in size, in response to the shrinking droplet. The flame standoff increased linearly for the majority of the droplet lifetime. The flame surrounding the droplet extinguished at a finite droplet size at lower ambient pressures and an oxygen mole fraction of 0.15. The extinction droplet size increased with decreasing pressure. The model is transient and assumes spherical symmetry, constant thermo-physical properties (specific heat, thermal conductivity and species Lewis number) and single step chemistry. The model includes gas-phase radiative loss and a spherically symmetric, transient liquid phase. The model accurately predicts the droplet and flame histories of the experiments. Good agreement requires that the ignition in the experiment be reasonably approximated in the model and that the model accurately predict the pre-ignition vaporization of the droplet. The model does not accurately predict the dependence of extinction droplet diameter on pressure, a result of the simplified chemistry in the model. The transient flame behavior suggests the potential importance of fuel vapor accumulation. The model results, however, show that the fractional mass consumption rate of fuel in the flame relative to fuel vaporized is close to 1.0 for all but the lowest ambient oxygen mole fractions.

Dietrich, D. L.↗

Analysis of nonuniform subsonic flows about a row of moving blades

The motion of a nonuniform flow about a row of moving blades is modeled as that of a three-dimensional rotational disturbance convected by the mean flow. The aerodynamic theories for such flows are reviewed for both linearly propagating disturbances and disturbances distorted by the mean flow. Linear theories results are examined to assess the effects of the gust variables, the Mach number, and the blade spacing, on the unsteady blade response. For loaded blades, the upstream disturbances are distorted by the blade mean flow. For a potential mean flow, the governing equations can be reduced to a single inhomogeneous nonconstant coefficient convective wave equation. A numerical procedure is developed using an elliptic grid system. The accuracy of the solutions strongly depends on the far-field radiation condition and the optimum determination of the grid system. Solutions are presently obtained for thick symmetric airfoils in three-dimensional gusts.

Atassi, H. M.↗

Redesign of the mixed-mode bending delamination test to reduce nonlinear effects

The mixed-mode bending (MMB) test uses a lever to apply simultaneously mode I and mode II loading to a split-beam specimen. An iterative analysis that accounts for the geometric nonlinearity of the MMB test was developed. The analysis accurately predicted the measured load-displacement response and the strain energy release rate, G, of an MMB test specimen made of AS4/PEEK. The errors in G when calculated using linear theory were found to be as large as 30 percent in some cases. Because it would be inconvenient to use a nonlinear analysis to analyze MMB data, the MMB apparatus was redesigned to minimize the nonlinearity. With the improved apparatus, loads are applied just above the midplane of the test specimen through a roller attached to the lever. This apparatus was demonstrated by measuring the mixed-mode delamination fracture toughhess of the test specimen. The nonlinearity errors associated with testing this tough composite material were less than +/- 3 percent. The data from the improved MMB apparatus analyzed with a linear analysis were similar to those found with the original apparatus and the nonlinear analysis.

Reeder, James R.↗

Bending response of thin-walled laminated composite cylinders

Closed-form linear response solutions are presented for the bending response of thin-walled laminated composite cylinders. Displacements and intralaminar stresses are computed using the Donnell theory, and interlaminar stresses are computed using 3D equilibrium equations of elasticity. Laminates with stacking sequencies and an aluminum cylinder are used to illustrate the displacement response, intralaminar, and interlaminar stresses for two length-to-radius ratios of 1 and 5. Data obtained indicate that if only fiber breakage causes ultimate failure, material failure will occur on the compression side of the cylinders, at the ends, due to fiber compression. The interlaminar normal stress is an order of magnitude smaller than the interlaminar shear stresses and it is not likely to initiate failure.

Fuchs, H. P.↗

A Technique for Mapping Characteristic Lengths to Preserve Energy Dissipated via Strain Softening in a Multiscale Analysis

It is often advantageous to account for the microstructure of the material directly using multiscale modeling. For computational tractability, an idealized repeating unit cell (RUC) is used to capture all of the pertinent features of the microstructure. Typically, the RUC is dimensionless and depends only on the relative volume fractions of the different phases in the material. This works well for non-linear and inelastic behavior exhibiting a positive-definite constitutive response. Although, once the material exhibits strain softening, or localization, a mesh objective failure theories, such as smeared fracture theories, nodal and element enrichment theories (XFEM), cohesive elements or virtual crack closure technique (VCCT), can be utilized at the microscale, but the dimensions of the RUC must then be defined. One major challenge in multiscale progressive damage modeling is relating the characteristic lengths across the scales in order to preserve the energy that is dissipated via localization at the microscale. If there is no effort to relate the size of the macroscale element to the microscale RUC, then the energy that is dissipated will remain mesh dependent at the macroscale, even if it is regularized at the microscale. Here, a technique for mapping characteristic lengths across the scales is proposed. The RUC will be modeled using the generalized method of cells (GMC) micromechanics theory, and local failure in the matrix constituent subcells will be modeled using the crack band theory. The subcell characteristic lengths used in the crack band calculations will be mapped to the macroscale finite element in order to regularize the local energy in a manner consistent with the global length scale. Examples will be provided with and without the regularization, and they will be compared to a baseline case where the size and shape of the element and RUC are coincident (ensuring energy is preserved across the scales).

softening↗

Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations

Here we extend our recently developed sparse-stochastic fragmented exchange formalism for ground-state near-gap hybrid DFT to calculate absorption spectra within linear-response time-dependent generalized Kohn-Sham DFT (LR-GKS-TDDFT) for systems consisting of thousands of valence electrons within a grid-based/plane-wave representation. A mixed deterministic/fragmented-stochastic compression of the exchange kernel, here using long-range explicit exchange functionals, provides an efficient method for accurate optical spectra. Both real-time propagation as well as frequency-resolved Casida-equation-type approaches for spectra are presented, and the method is applied to large molecular dyes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗