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DOE OSTI2022

Wavefront shaping with a Hadamard basis for scattering soil imaging

Here, soil is a scattering medium that inhibits imaging of plant-microbial-mineral interactions that are essential to plant health and soil carbon sequestration. However, optical imaging in the complex medium of soil has been stymied by the seemingly intractable problems of scattering and contrast. Here, we develop a wavefront shaping method based on adaptive stochastic parallel gradient descent optimization with a Hadamard basis to focus light through soil mineral samples. Our approach allows a sparse representation of the wavefront with reduced dimensionality for the optimization. We further divide the used Hadamard basis set into subsets and optimize a certain subset at once. Simulation and experimental optimization results demonstrate our method has an approximately seven times higher convergence rate and overall better performance compared to that with optimizing all pixels at once. The proposed method can benefit other high-dimensional optimization problems in adaptive optics and wavefront shaping.

47 OTHER INSTRUMENTATION↗

NASA NTRS1976

Subsonic finite elements for wing body combinations

Capabilities, limitations, and applications of various theories for the prediction of wing-body aerodynamics are reviewed. The methods range from approximate planar representations applicable in preliminary design to surface singularity approaches applicable in the later stages of detail design. The available methods for three-dimensional configurations are limited as inviscid solutions with viscous effects included on an empirical or strip basis.

Thomas, J. L.↗

NASA NTRS1992

Algorithmic improvements for simulator motion drive

Contemporary simulator motion drive algorithms typically are designed in an analog (continuous) environment, but are implemented in a digital (discrete) environment. The intended continuous system, specified as frequency domain (Laplace transform) transfer functions, may not be represented properly by the algorithms used for digital implementation. The motion drive software in use with the Vertical Motion Simulator at Ames Research Center was investigated recently; the original algorithms (Euler) were changed to a state transition method. Comparison of the frequency responses of the original and new implementations showed that the state transition method more closely approximates the desired analog responses. In addition, test pilots who evaluated both implementations preferred the motions generated with the state transition method over those generated with the Euler integration method.

Laforce, Soren↗

NASA NTRS1994

A unifying comparison of nearly scatter free transport models

Gombosi et al. (1993) recently derived a modified telegrapher's equation for charged particle transport under the influence of isotropic scattering. This equation obeys causality and disallows upstream diffusion for particles with random velocities smaller than the bulk flow velocity. The acausal diffusion equation was obtained to lowest order in the expansion of smallness prameters. The paper by Gombosi et al. (1993) prompted responses from Pauls et al. (1993) and Earl (1993). This paper is written to explain the differences between the methods, assumptions, and results of Gombosi et al. (1993), Pauls et al. (1993), and Earl (1993) and presents a new method of obtaining approximate solutions. It is shown that the assumptions used by Gombosi et al. (1993) and Pauls et al. (1993) are physically equivalent. In our solution method, the solution of the modified telegrapher's equation is obtained as the casual limit of solutions accurate to second order in the smallness parameter expansion. In order to investigate the coherent velocity, we have also developed `wavenumber eigenfunctions' which account for all the pitch angle dependence in our Boltzmann equation. Using truncation, Earl (1993) obtains approximations for the wavenumber dependence of the lowest two frequency modes, which correspond to two of the wavenumber eigenmodes. We find that a consequence of including only two wavenumber eigenmodes is that one obtains solutions which disobey causality at sufficiently short times. Furthermore, the coherent velocity of the two eigenmodes is strongly dependent on wavenumber and approaches the particle velocity in the limit of large wavenumber for both isotropic and anisotropic scattering processes. We conclude that Earl's (1993) solutions and solutions obtained using the new solution method implicitly assume weak acausality and reasonable behavior in the temporal regime, t less than 4 tau. The solutions are not strictly consistent with the behavior of the lowest two frequency modes but have similar behavior in the regime of low wavenumber.

Schwadron, N. A.↗

NASA NTRS2014

Interpolation Method Needed for Numerical Uncertainty

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors.

Groves, Curtis E.↗

DOE OSTI2018

SAFR/V1 (EVKLID/V2 Integral Code Module) Aided Simulation of Melt Movement Along the Surface of a Fuel Element in a Fast Reactor During a Serious Accident

The basic approaches used in the SAFR/V1 module of the integral code EVKLID/V2 to simulate the movement of the melt formed upon melting of fuel elements are presented. The system of mass, energy, and momentum conservation equations used to simulate the movement of melt is presented. Special attention is devoted to methods of numerical approximation of the equations as well as to the solution of problems involving smearing of the solution at the melt boundary. The realized methods of stimulating the motion of melt have been verified on the basis of tests with known analytical solutions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1987

A well-posed optimal spectral element approximation for the Stokes problem

A method is proposed for the spectral element simulation of incompressible flow. This method constitutes in a well-posed optimal approximation of the steady Stokes problem with no spurious modes in the pressure. The resulting method is analyzed, and numerical results are presented for a model problem.

Maday, Y.↗

DOE OSTI2022

Advanced stationary and nonstationary kernel designs for domain-aware Gaussian processes

Gaussian process regression is a widely-applied method for function approximation and uncertainty quantification. The technique has gained popularity recently in the machine learning community due to its robustness and interpretability. The mathematical methods we discuss in this paper are an extension of the Gaussian-process framework. We are proposing advanced kernel designs that only allow for functions with certain desirable characteristics to be elements of the reproducing kernel Hilbert space (RKHS) that underlies all kernel methods and serves as the sample space for Gaussian process regression. These desirable characteristics reflect the underlying physics; two obvious examples are symmetry and periodicity constraints. In addition, non-stationary kernel designs can be defined in the same framework to yield flexible multi-task Gaussian processes. We will show the impact of advanced kernel designs on Gaussian processes using several synthetic and two scientific data sets. The results of our research show that including domain knowledge, communicated through advanced kernel designs, has a significant impact on the accuracy and relevance of the function approximation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, {sup 1}J(P-Ag) and {sup 2}J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Electron scattering on A = 3 nuclei from quantum Monte Carlo based approaches

We perform first-principle calculations of electron-nucleus scattering on 3 He and 3 H using the Green's function Monte Carlo method and two approaches based on the factorization of the final hadronic state: the spectral-function formalism and the short-time approximation. These three methods are benchmarked among each other and compared to the experimental data for the longitudinal and transverse electromagnetic response functions of 3 He, and the inclusive cross sections of both 3 He and 3 H. Since these three approaches are based on the same description of nuclear dynamics of the initial target state, comparing their results enables a precise quantification of the uncertainties inherent to factorization schemes. At sufficiently large values of the momentum transfer, we find an excellent agreement of the Green's function Monte Carlo calculation with experimental data and with both the spectral-function formalism and the short-time approximation. Here, we also analyze the relevance of relativistic effects, whose inclusion becomes crucial to explain data at high momentum and energy transfer.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Electron scattering on ${\mathbf{A=3}}$ nuclei from quantum Monte Carlo based approaches

We perform first-principle calculations of electron-nucleus scattering on $^3$He and $^3$H using the Green's function Monte Carlo method and two approaches based on the factorization of the final hadronic state: the spectral-function formalism and the short-time approximation. These three methods are benchmarked among each other and compared to the experimental data for the longitudinal and transverse electromagnetic response functions of $^3$He, and the inclusive cross sections of both $^3$He and $^3$H. Since these three approaches are based on the same description of nuclear dynamics of the initial target state, comparing their results enables a precise quantification of the uncertainties inherent to factorization schemes. At sufficiently large values of the momentum transfer, we find an excellent agreement of the Green's function Monte Carlo calculation with experimental data and with both the spectral-function formalism and the short-time approximation. We also analyze the relevance of relativistic effects, whose inclusion becomes crucial to explain data at high momentum and energy transfer.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Deep Koopman learning of nonlinear time-varying systems

Here this paper presents a data-driven approach to approximate the dynamics of a nonlinear time-varying system (NTVS) by a linear time-varying system (LTVS), which results from the Koopman operator and deep neural networks. Analysis of the approximation error between states of the NTVS and the resulting LTVS is presented. Simulations on a representative NTVS show that the proposed method achieves small approximation errors, even when the system changes rapidly. Furthermore, simulations in an example of quadcopters demonstrate the computational efficiency of the proposed approach.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1980

Response of nonlinear panels to random loads

Lightweight aircraft structures exposed to a high intensity noise environment can fatigue prematurely if adequate consideration is not given to the problem. Design methods and design criteria for sonic fatigue prevention were developed based on analytical and experimental techniques. Most of the analytical work was based upon small deflection or linear structural theory which did not agree with the experimental results. A large deflection geometrical nonlinearity was incorporated into the analysis methods for determining the structural response to high intensity noise. The Karman-Herrmann large deflection equations with a single mode Galerkin approximation, and the method of equivalent linearization were used to predict mean square amplitude, mean square stresses, and nonlinear frequency at various acoustic loadings for rectangular panels. Both simply supported and clamped support conditions with immovable or movable inplane edges are considered. Comparisons with experimental results are presented.

Mei, C.↗

NASA NTRS1996

Documentation for a Structural Optimization Procedure Developed Using the Engineering Analysis Language (EAL)

This report describes a structural optimization procedure developed for use with the Engineering Analysis Language (EAL) finite element analysis system. The procedure is written primarily in the EAL command language. Three external processors which are written in FORTRAN generate equivalent stiffnesses and evaluate stress and local buckling constraints for the sections. Several built-up structural sections were coded into the design procedures. These structural sections were selected for use in aircraft design, but are suitable for other applications. Sensitivity calculations use the semi-analytic method, and an extensive effort has been made to increase the execution speed and reduce the storage requirements. There is also an approximate sensitivity update method included which can significantly reduce computational time. The optimization is performed by an implementation of the MINOS V5.4 linear programming routine in a sequential liner programming procedure.

Martin, Carl J., Jr.↗

NASA NTRS1957

Thin airfoil theory based on approximate solution of the transonic flow equation

A method is presented for the approximate solution of the nonlinear equations transonic flow theory. Solutions are found for two-dimensional flows at a Mach number of 1 and for purely subsonic and purely supersonic flows. Results are obtained in closed analytic form for a large and significant class of nonlifting airfoils. At a Mach number of 1 general expressions are given for the pressure distribution on an airfoil of specified geometry and for the shape of an airfoil having a prescribed pressure distribution. Extensive comparisons are made with available data, particularly for a Mach number of 1, and with existing solutions.

WING-SECTION THEORY↗

NASA NTRS1958

Thin airfoil theory based on approximate solution of the transonic flow equation

A method is presented for the approximate solution of the nonlinear equations of transonic flow theory. Solutions are found for two-dimensional flows at a Mach number of 1 and for purely subsonic and purely supersonic flows. Results are obtained in closed analytic form for a large and significant class of nonlifting airfoils. At a Mach number of 1 general expressions are given for the pressure distribution on an airfoil of specified geometry and for the shape of an airfoil having a prescribed pressure distribution. Extensive comparisons are made with available data, particularly for a Mach number of 1, and with existing solutions.

Spreiter, John R↗

NASA NTRS1988

Shape sensitivity analysis of flutter response of a laminated wing

A method is presented for calculating the shape sensitivity of a wing aeroelastic response with respect to changes in geometric shape. Yates' modified strip method is used in conjunction with Giles' equivalent plate analysis to predict the flutter speed, frequency, and reduced frequency of the wing. Three methods are used to calculate the sensitivity of the eigenvalue. The first method is purely a finite difference calculation of the eigenvalue derivative directly from the solution of the flutter problem corresponding to the two different values of the shape parameters. The second method uses an analytic expression for the eigenvalue sensitivities of a general complex matrix, where the derivatives of the aerodynamic, mass, and stiffness matrices are computed using a finite difference approximation. The third method also uses an analytic expression for the eigenvalue sensitivities, but the aerodynamic matrix is computed analytically. All three methods are found to be in good agreement with each other. The sensitivities of the eigenvalues were used to predict the flutter speed, frequency, and reduced frequency. These approximations were found to be in good agreement with those obtained using a complete reanalysis.

Bergen, Fred D.↗

DOE OSTI2020

Multi-Model and Multi-Scale Global Sensitivity Analysis for Identifying Controlling Processes of Complex Systems

An environmental model consists of multiple process level sub-models, and each sub-model represents a process that is key to the operation of the simulated system. Global sensitivity analysis methods have been widely used to identify important processes for system model development and improvement. The existing methods of global sensitivity analysis only consider parametric uncertainty, and are not capable of handling model uncertainty caused by multiple process models that arise from competing hypotheses about one or more processes. To address this problem, this project develops a new method to probe model output sensitivity to competing process models by integrating model averaging methods with variance-based global sensitivity analysis to address uncertainty in process models and parameters. The new method yields three process sensitivity indices. The first one is called first-order process sensitivity index, and it is derived as a single summary measure of relative process importance. Evaluating the index is computationally expensive, because it relies in a Monte Carlo scheme that requires thousands and even millions of model executions. To reduce computational cost, this project develops a computationally efficient, quasi Monte Carlo method, and this method is presented in Chapter 2 of this report with and a numerical example for demonstration. The numerical example shows that the results of the quasi Monte Carlo method are substantially close to those of the full Monte Carlo method, but the computational cost of the quasi Monte Carlo method is only 0.7% of that of the full Monte Carlo method. The second index is called total-effect process sensitivity index, and it measures interactions between different processes. Therefore, this sensitivity index includes the first-order process sensitivity index, and can be used to identify influential processes. On the other hand, the total-effect process sensitivity index can also be used to screen non-influential processes. This is demonstrated by two numerical examples using the Sobol-G* functions and groundwater flow models that consider recharge process, geological process, and snowmelt process. The numerical examples shows that the total-effect process sensitivity index is more informative than the first-order process sensitivity. The derivation of the process sensitivity index and the numerical examples are discussed in Chapter 3. Chapter 4 presents two computationally efficient methods for screening non-influential processes to exclude them from further investigation. The two methods are the multi-model difference-based sensitivity (MMDS) analysis method, which can be implemented using the Latin Hypercube Sampling. The second one is the implementation of MMDS method using a binning method. The numerical example for the Sobol-G* function indicates the two methods are capable of identifying non-influential models, and the numerical examples for the groundwater flow and reactive transport show that the two methods are effective for groundwater problems. However, it should be noted that the two methods are numerical approximations, and they can only be used for screening non-influential processes, not for ranking importance of system processes. All the sensitivity analysis methods are implemented by developing python codes, and the codes are in a software called SAMMPY: a python package for process sensitivity analysis under multiple models. The SAMMPY design and structure are discussed in Chapter 5, and the package is released to the public for free download.

54 ENVIRONMENTAL SCIENCES↗