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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

Estimating the vibration level of an L-shaped beam using power flow techniques

The response of one component of an L-shaped beam, with point force excitation on the other component, is estimated using the power flow method. The transmitted power from the source component to the receiver component is expressed in terms of the transfer and input mobilities at the excitation point and the joint. The response is estimated both in narrow frequency bands, using the exact geometry of the beams, and as a frequency averaged response using infinite beam models. The results using this power flow technique are compared to the results obtained using finite element analysis (FEA) of the L-shaped beam for the low frequency response and to results obtained using statistical energy analysis (SEA) for the high frequencies. The agreement between the FEA results and the power flow method results at low frequencies is very good. SEA results are in terms of frequency averaged levels and these are in perfect agreement with the results obtained using the infinite beam models in the power flow method. The narrow frequency band results from the power flow method also converge to the SEA results at high frequencies. The advantage of the power flow method is that detail of the response can be retained while reducing computation time, which will allow the narrow frequency band analysis of the response to be extended to higher frequencies.

Cuschieri, J. M.↗

Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction

We derived, implemented, and thoroughly tested the complete analytic expression for atomic forces, consisting of the Hellmann‐Feynman term and the Pulay correction, for the Fermi‐Löwdin orbital self‐interaction correction (FLO‐SIC) method. Analytic forces are shown to be numerically accurate through an extensive comparison to forces obtained from finite differences. Using the analytic forces, equilibrium structures for a small set of molecules were obtained. This work opens the possibility of routine self‐interaction free geometrical relaxations of molecules using the FLO‐SIC method. © 2018 Wiley Periodicals, Inc.

Trepte, Kai↗

Model reduction in a subset of the original states

A model reduction method is investigated to provide a smaller structural dynamic model for subsequent structural control design. A structural dynamic model is assumed to be derived from finite element analysis. It is first converted into the state space form, and is further reduced by the internal balancing method. Through the co-ordinate transformation derived from the states that are deleted during reduction, the reduced model is finally expressed with the states that are members of the original states. Therefore, the states in the final reduced model represent the degrees of freedom of the nodes that are selected by the designer. The procedure provides a more practical implementation of model reduction for applications in which specific nodes, such as sensor and/or actuator attachment points, are to be retained in the reduced model. Thus, it ensures that the reduced model is under the same input and output condition as the original physical model. The procedure is applied to two simple examples and comparisons are made between the full and reduced order models. The method can be applied to a linear, continuous and time-invariant model of structural dynamics with nonproportional viscous damping.

Yae, K. H.↗

Matrix-based, finite-difference algorithms for computational acoustics

A compact numerical algorithm is introduced for simulating multidimensional acoustic waves. The algorithm is expressed in terms of a set of matrix coefficients on a three-point spatial grid that approximates the acoustic wave equation with a discretization error of O(h exp 5). The method is based on tracking a local phase variable and its implementation suggests a convenient coordinate splitting along with natural intermediate boundary conditions. Results are presented for oblique plane waves and compared with other procedures. Preliminary computations of acoustic diffraction are also considered.

Davis, Sanford↗

Integrable Variable Dissipation Systems on the Tangent Bundle of a Multi-Dimensional Sphere and Some Applications

This paper is a survey of integrable cases in dynamics of a multi-dimensional rigid body under the action of a nonconservative force field. We review both new results and results obtained earlier. Problems examined are described by dynamical systems with so-called variable dissipation with zero mean. The problem of the search for complete sets of transcendental first integrals of systems with dissipation is quite topical; a large number of works are devoted to it. We introduce a new class of dynamical systems that have a periodic coordinate. Due to the existence of nontrivial symmetry groups of such systems, we can prove that these systems possess variable dissipation with zero mean, which means that on the average for a period with respect to the periodic coordinate, the dissipation in the system is equal to zero, although in various domains of the phase space, either energy pumping or dissipation can occur. Based on the facts obtained, we analyze dynamical systems that appear in the dynamics of a multi-dimensional rigid body and obtain a series of new cases of complete integrability of the equations of motion in transcendental functions, which can be expressed through a finite combination of elementary functions. As applications, we study dynamical equations of motion arising in the study of the plane and spatial dynamics of a rigid body interacting with a medium and also a possible generalization of the obtained methods to the study of general systems arising in the qualitative theory of ordinary differential equations, in the theory of dynamical systems, and also in oscillation theory.

97 MATHEMATICS AND COMPUTING↗

Kinetic simulations of collision-less plasmas in open magnetic geometries

Laboratory plasmas in open magnetic geometries can be found in many different applications such as (a) scrape-of-layer (SOL) and divertor regions in toroidal confinement fusion devices, (b) linear divertor simulators, (c) plasma-based thrusters and (d) magnetic mirrors etc. A common feature of these plasma systems is the need to resolve, in addition to velocity space, at least one physical dimension (e.g. along flux lines) to capture the relevant physics. In general, this requires a kinetic treatment. Fully kinetic particle-in-cell (PIC) simulations can be applied but at the expense of large computational effort. A common way to resolve this is to use a hybrid approach: kinetic ions and fluid electrons. In the present work, the development of a hybrid PIC computational tool suitable for open magnetic geometries is described which includes (a) the effect of non-uniform magnetic fields, (b) finite fully-absorbing boundaries for the particles and (c) volumetric particle sources. Analytical expressions for the momentum transport in the paraxial limit are presented with their underlying assumptions and are used to validate the results from the PIC simulations. A general method is described to construct discrete particle distribution functions in a state of mirror-equilibrium. This method is used to obtain the initial state for the PIC simulation. Collisionless simulations in a mirror geometry are performed. The results show that the effect of magnetic compression is correctly described and momentum is conserved. The self-consistent electric field is calculated and is shown to modify the ion velocity distribution function in a manner consistent with analytic theory. Based on this analysis, the ion distribution function is understood in terms of a loss-cone distribution and an isotropic Maxwell-Boltzmann distribution driven by a volumetric plasma source. Finally, the inclusion of a Monte Carlo based Fokker-Planck collision operator is discussed in the context of future work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analytical evaluation of a surface integral expressing the coupling between interior and exterior volumes in a FE-IE approach

Recently an approach which combines the finite element technique and an integral equation to determine the fields scattered by inhomogeneous bodies of complicated shape has been proposed. Basically, a mathematical surface which encloses the scatterers is introduced, thus dividing the space into an interior and an exterior volume, in which the finite element technique and an integral equation for EM scattering, respectively, are applied. The integral equation is set up for the tangential components of the fields at the surface, while the interior volume the unknowns are the total fields. Continuity of the tangential fields at the boundary, as required by Maxwell's equations, is imposed, thus coupling the two methods to obtain a consistent solution. The coupling term is expressed by a surface integral formed by the dot product of a FE basis function and an IE testing function, or viceversa. By choosing the boundary to be a surface of revolution and by making a convenient selection of IE basis (testing) functions, it is possible to evaluate the integrals analytically on surfaces such as curved triangles, curved quadrilaterals and curved pentagons. We will illustrate the salient steps involved in setting up and carrying out these integrals and discuss what class of basis (testing) functions and analytic surfaces of revolution they are applicable to. Analytic calculations offer the advantage of better accuracy than purely numerical ones, and, when combined with them, often shed light on issues of numerical convergence and limiting values. Furthermore, they may reduce computation time and storage requirements.

Zuffada, C.↗

Development of Analysis Methods for Designing with Composites

The project involved the development of new analysis methods to achieve efficient design of composite structures. We developed a complex variational formulation to analyze the in-plane and bending coupling response of an unsymmetrically laminated plate with an elliptical cutout subjected to arbitrary edge loading as shown in Figure 1. This formulation utilizes four independent complex potentials that satisfy the coupled in-plane and bending equilibrium equations, thus eliminating the area integrals from the strain energy expression. The solution to a finite geometry laminate under arbitrary loading is obtained by minimizing the total potential energy function and solving for the unknown coefficients of the complex potentials. The validity of this approach is demonstrated by comparison with finite element analysis predictions for a laminate with an inclined elliptical cutout under bi-axial loading.The geometry and loading of this laminate with a lay-up of [-45/45] are shown in Figure 2. The deformed configuration shown in Figure 3 reflects the presence of bending-stretching coupling. The validity of the present method is established by comparing the out-of-plane deflections along the boundary of the elliptical cutout from the present approach with those of the finite element method. The comparison shown in Figure 4 indicates remarkable agreement. The details of this method are described in a manuscript by Madenci et al. (1998).

Madenci, E.↗

Optimal local truncation error method for 3-D elasticity interface problems

The paper deals with a new effective numerical technique on unfitted Cartesian meshes for simulations of heterogeneous elastic materials. Here, we develop the optimal local truncation error method (OLTEM) with 27- point stencils (similar to those for linear finite elements) for the 3-D time-independent elasticity equations with irregular interfaces. Only displacement unknowns at each internal Cartesian grid point are used. The interface conditions are added to the expression for the local truncation error and do not change the width of the stencils. The unknown stencil coefficients are calculated by the minimization of the local truncation error of the stencil equations and yield the optimal second order of accuracy for OLTEM with the 27-point stencils on unfitted Cartesian meshes. A new post-processing procedure for accurate stress calculations has been developed. Similar to basic computations it uses OLTEM with the 27-point stencils and the elasticity equations. The post-processing procedure can be easily extended to unstructured meshes and can be independently used with existing numerical techniques (e.g., with finite elements). Numerical experiments show that at an accuracy of 0.1% for stresses, OLTEM with the new post-processing procedure significantly (by 10 5 -10 9 times) reduces the number of degrees of freedom compared to linear finite elements. OLTEM with the 27-point stencils yields even more accurate results than high-order finite elements with wider stencils.

42 ENGINEERING↗

Mutual impedance of nonplanar-skew sinusoidal dipoles

The mutual impedance expressions for parallel dipoles in terms of sine-integrals and cosine-integrals have been published by King (1957). The investigation reported provides analogous expressions for nonparallel dipoles. The expressions presented are most useful when the monopoles are close together. The theory of moment methods shows an approach for employing the mutual impedance of filamentary sinusoidal dipoles to calculate the impedance and scattering properties of straight and bent wires with small but finite diameter.

Richmond, J. H.↗

Efficiency degradation due to tracking errors for point focusing solar collectors

An important parameter in the design of point focusing solar collectors is the intercept factor which is a measure of efficiency and of energy available for use in the receiver. Using statistical methods, an expression of the expected value of the intercept factor is derived for various configurations and control law implementations. The analysis assumes that a radially symmetric flux distribution (not necessarily Gaussian) is generated at the focal plane due to the sun's finite image and various reflector errors. The time-varying tracking errors are assumed to be uniformly distributed within the threshold limits and allows the expected value calculation.

Hughes, R. O.↗

Beyond Contrast Transfer: Spectral SNR as a Finite-Dose Metric for STEM Phase Retrieval

The contrast transfer function (CTF) is widely used to evaluate phase retrieval methods in scanning transmission electron microscopy (STEM), including center-of-mass imaging, parallax imaging, direct ptychography, and iterative ptychography. However, the CTF reflects only the maximum usable signal, neglecting the effects of finite electron fluence and the Poisson-limited nature of detection. As a result, it can significantly overestimate practical performance, especially in low-dose regimes. Here, we employ the spectral signal-to-noise ratio (SSNR), as a finite-dose statistical framework to evaluate the recoverable signal as a function of spatial frequency. Using numerical reconstructions of white-noise objects, we show that center-of-mass, parallax, and direct ptychography exhibit dose-independent SSNRs, with close-form analytic expressions. In contrast, iterative ptychography exhibits a surprising dose dependence: at low fluence, its SSNR converges to that of direct ptychography; at high fluence, it saturates at a value consistent with the maximum detective quantum efficiency predicted by recent quantum Fisher information bounds. The results highlight the limitations of CTF-based evaluation and motivate SSNR as a more accurate, finite-dose metric for assessing STEM phase retrieval methods.

STEM phase retrieval↗

On the in-plane vibrations and electromechanical resonance characteristics of non-uniformly polarized rectangular piezoelectric wafers: Selective mode-type excitation and specific mode enhancement

Here, we investigate the in-plane vibrations and electromechanical resonance characteristics of non-uniformly polarized rectangular piezoelectric wafers. Non-uniform polarization is represented as a non-uniform electromechanical coupling coefficient using a polarization function. Governing equations are derived for the forced in-plane vibrations of a thin wafer under the assumption of generalized plane stress. The effect of non-uniform polarization is explicitly obtained in the forcing terms of the governing equations. These equations are then recast into a variational weak form that is then solved using the finite element method to obtain the displacement fields for different modes. The electromechanical response of a non-uniformly polarized piezoelectric wafer is derived in terms of the out-of-plane displacement profile on the surface of the wafer. Using the derived analytical expression, a necessary and sufficient condition for the presence/absence of a vibrational mode in the electromechanical impedance spectrum is obtained. Based on this condition, criteria for selective mode-type excitation and specific mode enhancement of vibrational modes in the electromechanical impedance spectrum are postulated. Selective mode-type excitation of in-plane extensional and shear modes is demonstrated for a square wafer and that of in-plane bending modes is demonstrated for a rectangular wafer. Specific mode enhancement is demonstrated for both square and rectangular wafers. In addition, it is also demonstrated how the criteria can be used to suppress specific vibrational modes in the electromechanical impedance spectrum. The proposed methodology of using non-uniformly polarized piezoelectric wafers finds application in the design of single element transducers with multi-frequency operation, frequency-tuned receivers/sensors, acoustic holograms, designing acoustic beams of prescribed shape/lobes, and other non-traditional applications such as information storage.

36 MATERIALS SCIENCE↗

Computational fracture mechanics

Numerical procedures for accurate determination of elastic stress intensity factors for the general two-dimensional crack problem are reviewed. The elastic perfectly plastic state of crack tip deformation is studied by a finite element procedure. Elastic-plastic fields in the immediate vicinity of a crack tip are determined numerically by finite element procedures based on asymptotic studies of crack tip singularities in plastic materials. The small-scale yielding problem is modeled, and expressions for crack tip opening displacement, shear singularity amplitude, and plastic zone extent are derived. A finite element solution to the large-scale yielding of a circumferentially cracked round tension bar is obtained. The three-dimensional aspects of flawed structures and numerical methods of treating them are studied. Ductile fracture mechanisms, in particular crack tip fracture on the microscale, are discussed.

Rice, J. R.↗

Sublaminate analysis of interlaminar fracture in composites. II - Applications

A validation of the sublaminate analysis method of Armanios and Rehfield (1989) is provided by comparison of the predictions with a quasi-three-dimensional finite-element analysis. A comparison of the total strain-energy release rate with a classical plate model is also provided. Closed-form expressions for the total strain-energy rate and the strain-energy release-rate components are developed. The sublaminate analysis developed is simple, and the results are generated using a desktop computer.

Armanios, Erian A.↗

SQDFT: Spectral Quadrature method for large-scale parallel O ( N ) Kohn–Sham calculations at high temperature

We present SQDFT: a large-scale parallel implementation of the Spectral Quadrature (SQ) method for $\mathscr{O}(N)$ Kohn–Sham Density Functional Theory (DFT) calculations at high temperature. Specifically, we develop an efficient and scalable finite-difference implementation of the infinite-cell Clenshaw–Curtis SQ approach, in which results for the infinite crystal are obtained by expressing quantities of interest as bilinear forms or sums of bilinear forms, that are then approximated by spatially localized Clenshaw–Curtis quadrature rules. We demonstrate the accuracy of SQDFT by showing systematic convergence of energies and atomic forces with respect to SQ parameters to reference diagonalization results, and convergence with discretization to established planewave results, for both metallic and insulating systems. Here, we further demonstrate that SQDFT achieves excellent strong and weak parallel scaling on computer systems consisting of tens of thousands of processors, with near perfect $\mathscr{O}(N)$ scaling with system size and wall times as low as a few seconds per self-consistent field iteration. Finally, we verify the accuracy of SQDFT in large-scale quantum molecular dynamics simulations of aluminum at high temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transonic viscous flow calculations for a turbine cascade with a two equation turbulence model

A numerical method for the study of steady, transonic, turbulent viscous flow through plane turbine cascades is presented. The governing equations are written in Favre-averaged form and closed with a first order model. The turbulent quantities are expressed according to a two-equation kappa-epsilon model where low Reynolds number and compressibility effects are included. The solution is obtained by using a pseudo-unsteady method with improved perturbation propagation properties. The equations are discretized in space by using a finite volume formulation. An explicit multistage dissipative Runge-Kutta algorithm is then used to advance the flow equations in the pseudo-time. First results of calculations compare fairly well with experimental data.

Boretti, A. A.↗