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At least 109 records · Page 6

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Parametric estimation of Poisson's ratio for thin hinged-hinged plates

Cornu's method is an elegant calculation besieged by an impractical approach to obtain accurate estimates for Poisson's ratio. Conventionally, Cornu's method requires several components, and each component can adversely affect the accuracy of the measurement. Furthermore, Cornu's conventional method requires a long beam because beams with short length-to-width ratios cause the estimate of Poisson's ratio to diverge from the true value of Poisson's ratio. We believe that, with the right modifications, Cornu's method can become an attractive approach to obtaining precise estimates for Poisson's ratio from mode shapes. Here we use finite element simulations to show how to use Cornu's method to estimate Poisson's ratio from a mode shape. Our modified Cornu's method removes knife-edges and loading components for a hinged-hinged plate under steady-state excitation. Given the true value of Poisson's ratio, as a performance specification, we show that simple parametric expressions can fit estimates for Poisson's ratio for different length-to-width ratios of thin hinged-hinged plates. Additionally, we show that estimates for Poisson's ratio from higher modes align with the results from the first mode and explain our expectation for this outcome. Furthermore, our results challenge the idea that anticlastic, monoclastic, and synclastic deformation uniquely correspond to positive, zero, and negative estimates of Poisson's ratio, respectively. With the emergence of materials-by-design, we expect that this parametric technique will be able to assist in experimental qualification of thin beam and plate structures with respect to the desired value of Poisson's ratio.

42 ENGINEERING↗

DOE OSTI2021

Nonadiabatic molecular dynamics analysis of hybrid Dion–Jacobson 2D leads iodide perovskites

The past six years have witnessed the rapid growth of interest in Dion–Jacobson (DJ) phase two-dimensional (2D) hybrid halide perovskites as optoelectronic materials with considerable intrinsic stability. The precise relationships between structural variations and the resulting charge carrier dynamics at finite temperature in these materials are keys to practical applications and are not yet completely understood. Here, we study 3-(aminomethyl) piperidinium (3AMP) and 4-(aminomethyl) piperidinium (4AMP) spacer cation-based lead iodide DJ phase systems and find these spacer cations to have a profound impact on the structural dynamics. Particularly, large conformational dynamics of the 3AMP-based perovskite compared to that of the 4AMP at room temperature leads to pronounced state energy fluctuation near band edges and further results in a shorter quantum coherence. The faster quantum decoherence of the 3AMP spacer-based perovskite underpins a longer nonradiative lifetime, offering insight into its superior performance as an optoelectronic material. This work sheds light on the relationship between structural fluctuations and charge carrier dynamics that can help in designing 2D perovskites with superior photophysical properties.

Wang, Ying (ORCID:0000000349048227)↗

NASA NTRS1980

Solution sensitivity and accuracy study of NASTRAN for large dynamic problems involving structural damping

Large dynamic problems involving NASTRAN SOLUTION 8 (i.e., the steady state dynamic response option wherein all response quantities vary as e sub i omega t, where omega is the driving frequency and t is time) are considered. Using a submerged steel plate with a viscoelastic layer layer as the bench mark sample, the solution sensitivity and solution accuracy are checked. The solution sensitivity is examined by running the same finite element model on different computers, different versions of NASTRAN, and different precision levels. The solution accuracy is evaluated for these same runs by comparing the NASTRAN results with the exact solution of the same problem.

Kalinowski, A. J.↗

NASA NTRS1979

On truncated expansion self-tuning regulation of a large AMCD

The one-dimensional wave equation models out of plane displacement of a flexible ring and with appropriate boundary conditions the solution is one of uncoupled modes. Identification and control of the behavior of these modes by means of a self-tuning regulator requires precise measurements of the ring shape. Aliasing of modes occurs from a finite number of sensors along the ring causing interference in the modal identification. Nonuniform sensors spacing allows for reduced aliasing effects but introduces spreading of the modes and provides inconsistent measurements. The homogeneous wave equation solution for modal time behavior aids in the separation of the aliasing effects, but difficulty arises when the ring is spinning past the sensors and control forces are being applied.

Hamm, A. L.↗

NASA NTRS2010

Modeling Regular Replacement for String Constraint Solving

Bugs in user input sanitation of software systems often lead to vulnerabilities. Among them many are caused by improper use of regular replacement. This paper presents a precise modeling of various semantics of regular substitution, such as the declarative, finite, greedy, and reluctant, using finite state transducers (FST). By projecting an FST to its input/output tapes, we are able to solve atomic string constraints, which can be applied to both the forward and backward image computation in model checking and symbolic execution of text processing programs. We report several interesting discoveries, e.g., certain fragments of the general problem can be handled using less expressive deterministic FST. A compact representation of FST is implemented in SUSHI, a string constraint solver. It is applied to detecting vulnerabilities in web applications

Fu, Xiang↗

NASA NTRS1977

Features of sound propagation through and stability of a finite shear layer

The plane wave propagation, the stability, and the rectangular duct mode problems of a compressible, inviscid, linearly sheared, parallel, homogeneous flow are shown to be governed by Whittaker's equation. The exact solutions for the perturbation quantities are essentially the Whittaker M-functions where the nondimensional quantities have precise physical meanings. A number of known results are obtained as limiting cases of the exact solutions. For the compressible finite thickness shear layer it is shown that no resonances and no critical angles exist for all Mach numbers, frequencies, and shear layer velocity profile slopes except in the singular case of the vortex sheet.

Koutsoyannis, S. P.↗

DOE OSTI2022

A gauge-compatible Hamiltonian splitting algorithm for particle-in-cell simulations using finite element exterior calculus

A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve gauge symmetries and their associated conservation laws via the momentum map. We numerically demonstrate this time invariance of the momentum map and its usefulness in establishing precise initial conditions with a desired initial electric field and fixed background charge. The restriction of this canonical, finite element Poisson structure to the 1X2P $1\frac {1}{2}$ -dimensional phase space is also considered and simulated numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

A Method for Dimensionally Adaptive Sparse Trigonometric Interpolation of Periodic Functions

We present a method for dimensionally adaptive sparse trigonometric interpolation of multidimensional periodic functions belonging to a smoothness class of finite order. This method targets applications where periodicity must be preserved and the precise anisotropy is not known a priori. To the authors' knowledge, this is the first instance of a dimensionally adaptive sparse interpolation algorithm that uses a trigonometric interpolation basis. The motivating application behind this work is the adaptive approximation of a multi-input model for a molecular potential energy surface (PES) where each input represents an angle of rotation. Our method is based on an anisotropic quasi-optimal estimate for the decay rate of the Fourier coefficients of the model; a least-squares fit to the coefficients of the interpolant is used to estimate the anisotropy. Thus, our adaptive approximation strategy begins with a coarse isotropic interpolant, which is gradually refined using the estimated anisotropic rates. The procedure takes several iterations where ever-more accurate interpolants are used to generate ever-improving anisotropy rates. We present several numerical examples of our algorithm where the adaptive procedure successfully recovers the theoretical “best” convergence rate, including an application to a periodic PES approximation. An open-source implementation of our algorithm resides in the Tasmanian UQ library developed at Oak Ridge National Laboratory.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1977

Silicon web process development

Thirty-five (35) furnace runs were carried out during this quarter, of which 25 produced a total of 120 web crystals. The two main thermal models for the dendritic growth process were completed and are being used to assist the design of the thermal geometry of the web growth apparatus. The first model, a finite element representation of the susceptor and crucible, was refined to give greater precision and resolution in the critical central region of the melt. The second thermal model, which describes the dissipation of the latent heat to generate thickness-velocity data, was completed. Dendritic web samples were fabricated into solar cells using a standard configuration and a standard process for a N(+) -P-P(+) configuration. The detailed engineering design was completed for a new dendritic web growth facility of greater width capability than previous facilities.

Duncan, C. S.↗

NASA NTRS1985

Joint research effort on vibrations of twisted plates, phase 1: Final results

The complete theoretical and experimental results of the first phase of a joint government/industry/university research study on the vibration characteristics of twisted cantilever plates are given. The study is conducted to generate an experimental data base and to compare many different theoretical methods with each other and with the experimental results. Plates with aspect ratios, thickness ratios, and twist angles representative of current gas turbine engine blading are investigated. The theoretical results are generated by numerous finite element, shell, and beam analysis methods. The experimental results are obtained by precision matching a set of twisted plates and testing them at two laboratories. The second and final phase of the study will concern the effects of rotation.

Kielb, R. E.↗

NASA NTRS1989

Optimal moving grids for time-dependent partial differential equations

Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of partial differential equation solutions in the least squares norm.

Wathen, A. J.↗

NASA NTRS1992

Optimal moving grids for time-dependent partial differential equations

Various adaptive moving grid techniques for the numerical solution of time-dependent partial differential equations were proposed. The precise criterion for grid motion varies, but most techniques will attempt to give grids on which the solution of the partial differential equation can be well represented. Moving grids are investigated on which the solutions of the linear heat conduction and viscous Burgers' equation in one space dimension are optimally approximated. Precisely, the results of numerical calculations of optimal moving grids for piecewise linear finite element approximation of PDE solutions in the least-squares norm are reported.

Wathen, A. J.↗

DOE OSTI2022

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

In this work, we present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ 100,000 electrons) on both many-core CPU and hybrid CPU-GPU computing architectures. This work involves improvements in the real-space formulation—via an improved treatment of the electrostatic interactions that substantially enhances the computational efficiency—as well high-performance computing aspects, including the GPU acceleration of all the key compute kernels in DFT-FE. We demonstrate the accuracy by comparing the ground-state energies, ionic forces and cell stresses on a wide-range of benchmark systems against those obtained from widely used DFT codes. Further, we demonstrate the numerical efficiency of our implementation, which yields ~ 20× CPU-GPU speed-up by using GPU acceleration on hybrid CPU-GPU nodes. Notably, owing to the parallel-scaling of the GPU implementation, we obtain wall-times of 80–140 seconds for full ground-state calculations, with stringent accuracy, on benchmark systems containing ~ 6, 000 – 15,000 electrons.

pseudopotential↗

DOE OSTI2020

Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions

Finite-sized boron nanomaterials have received little attention in comparison to their graphene-like 2D boron analogues. It is with systems of precise atomic structures where the electrical conductance can be most fruitfully analyzed at the fundamental level. To understand how conductance varies with respect to the electronic structure, and particularly with vacancies, we study finite-sized boron nanoflakes (BNFs) and closely examine their remarkable changes in physical properties. Unlike carbon-based materials, we find from non-equilibrium Green's functions density functional theory (NEGF-DFT) calculations that the charge transport of BNFs with 35–37 atoms is modulated by site-specific atomic vacancies. Here, the BNF with no vacancy (B 37 ) shows significantly lower conductivity (9.23 μS), than B 36 with one vacancy (46.1 μS), and lower still than with two vacancies (B 35 , 54.2 μS). From the thermopower function, these nanomaterials change from strong hole conductors to electron and back to hole conductors with the addition of each vacancy, from a doublet (B 37 ) to singlet (B 36 ) to doublet (B 35 ) ground state, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1979

Low speed airfoil design and analysis

A low speed airfoil design and analysis program was developed which contains several unique features. In the design mode, the velocity distribution is not specified for one but many different angles of attack. Several iteration options are included which allow the trailing edge angle to be specified while other parameters are iterated. For airfoil analysis, a panel method is available which uses third-order panels having parabolic vorticity distributions. The flow condition is satisfied at the end points of the panels. Both sharp and blunt trailing edges can be analyzed. The integral boundary layer method with its laminar separation bubble analog, empirical transition criterion, and precise turbulent boundary layer equations compares very favorably with other methods, both integral and finite difference. Comparisons with experiment for several airfoils over a very wide Reynolds number range are discussed. Applications to high lift airfoil design are also demonstrated.

Eppler, R.↗

NASA NTRS1993

Transverse cracking and stiffness reduction in composite laminates

A study of transverse cracking mechanism in composite laminates is presented using a singular hybrid finite element model. The model provides the global structural response as well as the precise local crack-tip stress fields. An elasticity basis for the problem is established by employing Lekhnitskii's complex variable potentials and method of eigenfunction expansion. Stress singularities associated with the transverse crack are obtained by decomposing the deformation into the symmetric and antisymmetric modes and proper boundary conditions. A singular hybrid element is thereby formulated based on the variational principle of a modified hybrid functional to incorporate local crack singularities. Axial stiffness reduction due to transverse cracking is studied. The results are shown to be in very good agreement with the existing experimental data. Comparison with simple shear lag analysis is also given. The effects of stress intensity factors and strain energy density on the increase of crack density are analyzed. The results reveal that the parameters approach definite limits when crack densities are saturated, an evidence of the existence of characteristic damage state.

Yuan, F. G.↗

NASA NTRS1985

Finite Control in Underdamped Distributed Parameter Systems

Specifically, a class of distributed parameter systems is defined using Hilbert space methods based on a partial differential equation model of a structure. In this space a simple, easy to check definition of underdamping is constructed based on the well known single degree of freedom concept of critical damping. It is then shown that if a given distributed parameter system satisfies this definition, each mode of the modal expansion of the solution is in fact an underdamped function of time. It is noted that a distributed parameter system which is underdamped is also uniformly exponentially stable. By appealing to the work of Gibson, a finite dimensional model of the system will yield satisfactory control laws. Furthermore, it is shown that the assumption of the underdamping also allows straightforward computation of rough bounds on the magnitude of the unmodeled or residual modes for a modal truncation scheme. Hence, underdamped systems are precisely that class of distributed parameter systems which are not likely to have spillover problems and which will yield convergence of finite dimensional control laws to control laws which are optimal for the full distributed parameter model of the system.

Inman, D. J.↗

DOE OSTI2021

High-precision quantum algorithms for partial differential equations

Quantum computers can produce a quantum encoding of the solution of a system of differential equations exponentially faster than a classical algorithm can produce an explicit description. However, while high-precision quantum algorithms for linear ordinary differential equations are well established, the best previous quantum algorithms for linear partial differential equations (PDEs) have complexity poly(1/ϵ), where ϵ is the error tolerance. By developing quantum algorithms based on adaptive-order finite difference methods and spectral methods, we improve the complexity of quantum algorithms for linear PDEs to be poly(d,log(1/ϵ)), where d is the spatial dimension. Our algorithms apply high-precision quantum linear system algorithms to systems whose condition numbers and approximation errors we bound. We develop a finite difference algorithm for the Poisson equation and a spectral algorithm for more general second-order elliptic equations.

97 MATHEMATICS AND COMPUTING↗