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DOE OSTI2022

On the Convergence of Overlapping Schwarz Decomposition for Nonlinear Optimal Control

Here, we study the convergence properties of an overlapping Schwarz decomposition algorithm for solving nonlinear optimal control problems (OCPs). The algorithm decomposes the time domain into a set of overlapping subdomains, and solves all subproblems defined over subdomains in parallel. The convergence is attained by updating primal-dual information at the boundaries of overlapping subdomains. We show that the algorithm exhibits local linear convergence, and that the convergence rate improves exponentially with the overlap size. We also establish global convergence results for a general quadratic programming, which enables the application of the Schwarz scheme inside second-order optimization algorithms (e.g., sequential quadratic programming). The theoretical foundation of our convergence analysis is a sensitivity result of nonlinear OCPs, which we call "exponential decay of sensitivity" (EDS). Intuitively, EDS states that the impact of perturbations at domain boundaries (i.e., initial and terminal time) on the solution decays exponentially as one moves into the domain. Here, we expand a previous analysis available in the literature by showing that EDS holds for both primal and dual solutions of nonlinear OCPs, under uniform second-order sufficient condition, controllability condition, and boundedness condition. We conduct experiments with a quadrotor motion planning problem and a partial differential equations (PDE) control problem to validate our theory, and show that the approach is significantly more efficient than alternating direction method of multipliers and as efficient as the centralized interior-point solver.

42 ENGINEERING↗

DOE OSTI2021

Density-related properties from self-interaction corrected density functional theory calculations

The Perdew–Zunger self-interaction correction (PZ-SIC) removes unphysical electron self-interaction from calculations employing standard density functional approximations. Doing so improves many computed properties, bringing them into better agreement with experimental observations or with results from high-level quantum chemistry calculations. However, while PZ-SIC generally corrects in the right direction relative to the corresponding reference values, in many cases, it over-corrects. For this reason, scaled-down versions of PZ-SIC have been proposed and investigated. These approaches have mostly employed exterior scaling in which SIC correction terms are scaled in the same way at every point in space. Recently, a new local, or interior, scaling SIC method was proposed on non-empirical grounds to restore a property of the exact, but unknown, density functional that is broken in PZ-SIC. Here, the scaling at each point depends on the character of the charge density at that point. However, the local scaling can be done in various ways while still restoring the behavior of the exact functional. In this work, we compare and contrast the performance of various interior scaling approaches for addressing over-corrections of calculated molecular dipole moments and atomic polarizabilities and properties that reflect the nature of the electronic charge density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

A station-keeping method for libration point trajectories

Three-dimensional orbits in the vicinity of the interior libration point of the sun-earth/moon barycenter system are currently being considered for use with a number of missions planned for the 1990s. Since such libration-point trajectories are generally unstable, spacecraft moving on these paths must use some form of trajectory control to remain close to their nominal orbit. The primary goal of this effort is the development of a stationkeeping strategy applicable to such trajectories. A method is presented that uses maneuvers executed impulsively at discrete time intervals. The analysis includes some investigation of a number of the problem parameters that affect the overall maneuver costs. Simulations are designed to provide representative stationkeeping costs for a spacecraft moving in a libration-point trajectory, and preliminary results are summarized.

Howell, K. C.↗

NASA NTRS1985

Numerical approach for the aerodynamic analysis if airfoils with laminar separation

A numerical method for simultaneously and efficiently coupling an external subsonic potential flow and an interior viscous flow such that the two flows match at an interfacing boundary is discussed. Both a panel method and a simple point compressible vortex model are used for the outer potential field. The interior flow solvers which were used are the Navier-Stokes and Euler codes of T. J. Coakley and the Euler code of A. Verhoff. In order to test compatibility, the panel method is coupled to the less expensive Euler codes since the coupling procedure is identical with the Navier-Stokes code. The results show significant efficiency improvements can be obtained over the uncoupled approach. Results also indicate the outer potential flow is best represented by the simple point compressible vortex model. The panel method couples smoothly to Coakley's implicit code but is numerically incompatible as coupled with the explicit Euler code. An improved Navier-Stokes code is under initial development which extends the Euler code to include the necessary viscous terms. Results are shown for all infinite length channel with one wavy periodic wall with and without laminar separation.

Halt, D. W.↗

DOE OSTI2017

Higher-order triangular spectral element method with optimized cubature points for seismic wavefield modeling

The mass-lumped method avoids the cost of inverting the mass matrix and simultaneously maintains spatial accuracy by adopting additional interior integration points, known as cubature points. To date, such points are only known analytically in tensor domains, such as quadrilateral or hexahedral elements. Thus, the diagonal-mass-matrix spectral element method (SEM) in non-tensor domains always relies on numerically computed interpolation points or quadrature points. However, only the cubature points for degrees 1 to 6 are known, which is the reason that we have developed a p-norm-based optimization algorithm to obtain higher-order cubature points. In this way, we obtain and tabulate new cubature points with all positive integration weights for degrees 7 to 9. The dispersion analysis illustrates that the dispersion relation determined from the new optimized cubature points is comparable to that of the mass and stiffness matrices obtained by exact integration. Simultaneously, the Lebesgue constant for the new optimized cubature points indicates its surprisingly good interpolation properties. As a result, such points provide both good interpolation properties and integration accuracy. The Courant–Friedrichs–Lewy (CFL) numbers are tabulated for the conventional Fekete-based triangular spectral element (TSEM), the TSEM with exact integration, and the optimized cubature-based TSEM (OTSEM). A complementary study demonstrates the spectral convergence of the OTSEM. A numerical example conducted on a half-space model demonstrates that the OTSEM improves the accuracy by approximately one order of magnitude compared to the conventional Fekete-based TSEM. In particular, the accuracy of the 7th-order OTSEM is even higher than that of the 14th-order Fekete-based TSEM. Furthermore, the OTSEM produces a result that can compete in accuracy with the quadrilateral SEM (QSEM). The high accuracy of the OTSEM is also tested with a non-flat topography model. In terms of computational efficiency, the OTSEM is more efficient than the Fekete-based TSEM, although it is slightly costlier than the QSEM when a comparable numerical accuracy is required. - Highlights: • Higher-order cubature points for degrees 7 to 9 are developed. • The effects of quadrature rule on the mass and stiffness matrices has been conducted. • The cubature points have always positive integration weights. • Freeing from the inversion of a wide bandwidth mass matrix. • The accuracy of the TSEM has been improved in about one order of magnitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

One-shot omnidirectional pressure integration through matrix inversion

In this work, we present a method to perform 2D and 3D omnidirectional pressure integration from velocity measurements with a single-iteration matrix inversion approach. This work builds upon our previous work, where the rotating parallel ray approach was extended to the limit of infinite rays by taking continuous projection integrals of the ray paths and recasting the problem as an iterative matrix inversion problem. This iterative matrix equation is now 'fast-forwarded' to the 'infinity' iteration, leading to a different matrix equation that can be solved in a single step, thereby presenting the same computational complexity as the Poisson equation. We observe computational speedups of ~10 6 when compared to brute-force omnidirectional integration methods, enabling the treatment of grids of ~10 9 points and potentially even larger in a desktop setup at the time of publication. Further examination of the boundary conditions of our one-shot method shows that omnidirectional pressure integration implements a boundary condition where the boundary points are treated as interior points to the extent that information is available. Finally, we show how the method can be extended from the regular grids typical of particle image velocimetry to the unstructured meshes characteristic of particle tracking velocimetry data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1979

Boundary conditions for implicit solutions to the compressible Navier-Stokes equations in finite computational domains

The admissible boundary conditions for the unsteady Navier-Stokes equations are insufficient to determine completely the flow variables at grid points on the boundaries of a finite computational domain. A general method is presented in which the boundary conditions are supplemented by conservatively differenced forms of the flow equations. For implicit algorithms, the method provides a fully implicit coupling between boundary and interior points. Implicit boundary-point computation schemes are given for most types of flow boundary encountered in internal and external flow problems. Convergence to steady state is generally faster than with locally explicit boundary-point schemes.

Thomas, P. D.↗

NASA NTRS1996

The Multigrid-Mask Numerical Method for Solution of Incompressible Navier-Stokes Equations

A multigrid-mask method for solution of incompressible Navier-Stokes equations in primitive variable form has been developed. The main objective is to apply this method in conjunction with the pseudospectral element method solving flow past multiple objects. There are two key steps involved in calculating flow past multiple objects. The first step utilizes only Cartesian grid points. This homogeneous or mask method step permits flow into the interior rectangular elements contained in objects, but with the restriction that the velocity for those Cartesian elements within and on the surface of an object should be small or zero. This step easily produces an approximate flow field on Cartesian grid points covering the entire flow field. The second or heterogeneous step corrects the approximate flow field to account for the actual shape of the objects by solving the flow field based on the local coordinates surrounding each object and adapted to it. The noise occurring in data communication between the global (low frequency) coordinates and the local (high frequency) coordinates is eliminated by the multigrid method when the Schwarz Alternating Procedure (SAP) is implemented. Two dimensional flow past circular and elliptic cylinders will be presented to demonstrate the versatility of the proposed method. An interesting phenomenon is found that when the second elliptic cylinder is placed in the wake of the first elliptic cylinder a traction force results in a negative drag coefficient.

Ku, Hwar-Ching↗

DOE OSTI2014

Accurate gradient approximation for complex interface problems in 3D by an improved coupling interface method

Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Development and experimental evaluation of new building air leakage measurement methods: measurement of interior air leaks and comparison to conventional methods

Building air leaks (both through exterior and interior surfaces) can have a significant impact on energy consumption, indoor air quality, fire safety, and moisture accumulation affecting structural durability. Blower door testing has been used to measure leaks in buildings, but commonly used testing methods do not directly measure interior leaks. In this paper, new testing methods (guarded interior test and zonal multipoint pressure testing method) are presented that directly measure these interior leaks, utilizing common blower door equipment for both single and multi-point testing. Furthermore, these new methods are compared to conventional methods in terms of the information provided, limitations and time/effort needed. In addition, building leak measurement results are analyzed to reveal a) coupling between power law model values (exponent and coefficient) for an ensemble of buildings, b) the error in using single point testing when estimating low pressure leakage, and c) how building power law models vary from low to high pressure ranges.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2000

A New Method for Accurate Treatment of Flow Equations in Cylindrical Coordinates Using Series Expansions

The motivation of this work is the ongoing effort at the Center for Turbulence Research (CTR) to use large eddy simulation (LES) techniques to calculate the noise radiated by jet engines. The focus on engine exhaust noise reduction is motivated by the fact that a significant reduction has been achieved over the last decade on the other main sources of acoustic emissions of jet engines, such as the fan and turbomachinery noise, which gives increased priority to jet noise. To be able to propose methods to reduce the jet noise based on results of numerical simulations, one first has to be able to accurately predict the spatio-temporal distribution of the noise sources in the jet. Though a great deal of understanding of the fundamental turbulence mechanisms in high-speed jets was obtained from direct numerical simulations (DNS) at low Reynolds numbers, LES seems to be the only realistic available tool to obtain the necessary near-field information that is required to estimate the acoustic radiation of the turbulent compressible engine exhaust jets. The quality of jet-noise predictions is determined by the accuracy of the numerical method that has to capture the wide range of pressure fluctuations associated with the turbulence in the jet and with the resulting radiated noise, and by the boundary condition treatment and the quality of the mesh. Higher Reynolds numbers and coarser grids put in turn a higher burden on the robustness and accuracy of the numerical method used in this kind of jet LES simulations. As these calculations are often done in cylindrical coordinates, one of the most important requirements for the numerical method is to provide a flow solution that is not contaminated by numerical artifacts. The coordinate singularity is known to be a source of such artifacts. In the present work we use 6th order Pade schemes in the non-periodic directions to discretize the full compressible flow equations. It turns out that the quality of jet-noise predictions using these schemes is especially sensitive to the type of equation treatment at the singularity axis. The objective of this work is to develop a generally applicable numerical method for treating the singularities present at the polar axis, which is particularly suitable for highly accurate finite-differences schemes (e.g., Pade schemes) on non-staggered grids. The main idea is to reinterpret the regularity conditions developed in the context of pseudo-spectral methods. A set of exact equations at the singularity axis is derived using the appropriate series expansions for the variables in the original set of equations. The present treatment of the equations preserves the same level of accuracy as for the interior scheme. We also want to point out the wider utility of the method, proposed here in the context of compressible flow equations, as its extension for incompressible flows or for any other set of equations that are solved on a non-staggered mesh in cylindrical coordinates with finite-differences schemes of various level of accuracy is straightforward. The robustness and accuracy of the proposed technique is assessed by comparing results from simulations of laminar forced-jets and turbulent compressible jets using LES with similar calculations in which the equations are solved in Cartesian coordinates at the polar axis, or in which the singularity is removed by employing a staggered mesh in the radial direction without a mesh point at r = 0.

Constantinescu, G.S.↗

NASA NTRS1993

A strategy for the efficient simulation of viscous compressible flows using a multi-domain pseudospectral method

The viscous compressible flow in a quasi-1D nozzle is presently simulated by means of a novel multidomain pseudospectral method in which interface-point flow variables are advanced in time on the basis of the second-order time-marching scheme used for the interior points. A spectrally accurate modification of Van Leer's (1982) flux-vector flux-splitting method is used to evaluate the spatial derivatives of the inviscid flux vector; these derivatives are alternately evaluated from neighboring subdomains, and the scheme is found to be spectrally accurate and to resolve shock waves without oscillations.

Hanley, Patrick↗

DOE OSTI2014

Concentrating photovoltaic solar panel

The present invention relates to photovoltaic power systems, photovoltaic concentrator modules, and related methods. In particular, the present invention features concentrator modules having interior points of attachment for an articulating mechanism and/or an articulating mechanism that has a unique arrangement of chassis members so as to isolate bending, etc. from being transferred among the chassis members. The present invention also features adjustable solar panel mounting features and/or mounting features with two or more degrees of freedom. The present invention also features a mechanical fastener for secondary optics in a concentrator module.

14 SOLAR ENERGY↗

DOE OSTI2021

Scaled boundary cubature scheme for numerical integration over planar regions with affine and curved boundaries

This paper introduces the scaled boundary cubature (SBC) scheme for accurate and efficient integration of functions over polygons and two-dimensional regions bounded by parametric curves. Over two-dimensional domains, the SBC method reduces integration over a region bounded by m curves to integration over m regions (referred to as curved triangular regions), where each region is bounded by two line segments and a curve. With proper (counterclockwise) orientation of the boundary curves, the scheme is applicable to convex and nonconvex domains. Additionally, for star-convex domains, a tensor-product cubature rule with positive weights and integration points in the interior of the domain is obtained. If the integrand is homogeneous, we show that this new method reduces to the homogeneous numerical integration scheme; however, the SBC scheme is more versatile since it is equally applicable to both homogeneous and non-homogeneous functions. This paper also introduces several methods for smoothing integrands with point singularities and near-singularities. When these methods are used, highly efficient integration of weakly singular functions is realized. Finally, the SBC method is applied to a number of benchmark problems, which reveal its broad applicability and superior performance (in terms of time to generate a rule and accuracy per cubature point) when compared to existing methods for integration.

42 ENGINEERING↗

NASA NTRS2019

Decomposition of Electron Ionization Mass Spectra for Space Application Using a Monte-Carlo approach

Rationale: Quadrupole mass spectrometers equipped with an electron ionization (EI) sources have been widely used in space exploration to investigate the composition of planetary surfaces and atmospheres. However, the complexity of the samples and the minimal calibration for the fragmentation of molecules in the ionization chambers have prevented the deconvolution of the majority of the mass spectra obtained at different targets, thus limiting the determination of the exact composition of the samples analyzed. We propose a Monte‐Carlo approach to solve this issue mathematically. Methods: We decomposed simulated mass spectra of mixtures acquired with unit resolving power mass spectrometers and EI sources into the sum of the single components fragmentation patterns weighted by their relative concentration using interior‐point least‐square fitting. To fit compounds with poorly known fragmentation patterns, we used a Monte‐Carlo method to vary the intensity of individual fragment ions. We then decomposed the spectrum thousands of times to obtain a statistical distribution. Results: By performing the deconvolution on a mixture of seven different molecules with interfering fragmentation patterns (H2O, O2, CH4, Ar, N2, C2H4, and C2H6) we show that this approach retrieves the mixing ratio of the individual components more accurately than regular mass spectra decomposition methods that rely on fragmentation patterns from general databases. It also provides the probability density function for each species's mixing ratio. Conclusions: By removing the solution degeneracy in the decomposition of mass spectra, the method described herein could significantly increase the scientific retrieval from archived space flight mass spectrometry data, where calibration of the ionization source is no longer an option.

Thomas Gautier↗

DOE OSTI2024

Automatic Digitization and Orientation of Scanned Mesh Data for Floor Plan and 3D Model Generation

This paper describes a novel approach for generating accurate floor plans and 3D models of building interiors using scanned mesh data. Unlike previous methods, which begin with a high resolution point cloud from a laser range-finder, our approach begins with triangle mesh data, as from a Microsoft HoloLens. It generates two types of floor plans, a “pen-and-ink” style that preserves details and a drafting-style that reduces clutter. It processes the 3D model for use in applications by aligning it with coordinate axes, annotating important objects, dividing it into stories, and removing the ceiling. Its performance is evaluated on commercial and residential buildings, with experiments to assess quality and dimensional accuracy. Our approach demonstrates promising potential for automatic digitization and orientation of scanned mesh data, enabling floor plan and 3D model generation in various applications such as navigation, interior design, furniture placement, facilities management, building construction, and HVAC design.

Sharma, Ritesh↗

NASA NTRS1986

Prediction of sound fields in cavities using boundary element methods

Two boundary element formulations of acoustical behavior exist; the Direct Boundary Element Methods (DBEM) based on the Helmholtz Integral Equations and the Indirect Boundary Element Methods (IBEM) based on Huygen's Principle. In this investigation, both methods are implemented utilizing a simple linear superparametric element. In addition the IBEM is studied using a quadratic isoparametric element. The accuracy and relative efficiency of the various techniques are examined. In order to properly model aircraft interior cavities the additional capability to model wall treatments and internal point sources is added to the methods. The procedures are verified for several well-understood cavity problems. The relative merits of each boundary element method and the finite element method are examined.

Bernhard, R. J.↗

DOE OSTI2015

Evolution families of conformal mappings with fixed points and the Löwner-Kufarev equation

The paper is concerned with evolution families of conformal mappings of the unit disc to itself that fix an interior point and a boundary point. Conditions are obtained for the evolution families to be differentiable, and an existence and uniqueness theorem for an evolution equation is proved. A convergence theorem is established which describes the topology of locally uniform convergence of evolution families in terms of infinitesimal generating functions. The main result in this paper is the embedding theorem which shows that any conformal mapping of the unit disc to itself with two fixed points can be embedded into a differentiable evolution family of such mappings. This result extends the range of the parametric method in the theory of univalent functions. In this way the problem of the mutual change of the derivative at an interior point and the angular derivative at a fixed point on the boundary is solved for a class of mappings of the unit disc to itself. In particular, the rotation theorem is established for this class of mappings. Bibliography: 27 titles.

97 MATHEMATICS AND COMPUTING↗