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NASA NTRS1993

Guidance law development for aeroassisted transfer vehicles using matched asymptotic expansions

This report addresses and clarifies a number of issues related to the Matched Asymptotic Expansion (MAE) analysis of skip trajectories, or any class of problems that give rise to inner layers that are not associated directly with satisfying boundary conditions. The procedure for matching inner and outer solutions, and using the composite solution to satisfy boundary conditions is developed and rigorously followed to obtain a set of algebraic equations for the problem of inclination change with minimum energy loss. A detailed evaluation of the zeroth order guidance algorithm for aeroassisted orbit transfer is performed. It is shown that by exploiting the structure of the MAE solution procedure, the original problem, which requires the solution of a set of 20 implicit algebraic equations, can be reduced to a problem of 6 implicit equations in 6 unknowns. A solution that is near optimal, requires a minimum of computation, and thus can be implemented in real time and on-board the vehicle, has been obtained. Guidance law implementation entails treating the current state as a new initial state and repetitively solving the zeroth order MAE problem to obtain the feedback controls. Finally, a general procedure is developed for constructing a MAE solution up to first order, of the Hamilton-Jacobi-Bellman equation based on the method of characteristics. The development is valid for a class of perturbation problems whose solution exhibits two-time-scale behavior. A regular expansion for problems of this type is shown to be inappropriate since it is not valid over a narrow range of the independent variable. That is, it is not uniformly valid. Of particular interest here is the manner in which matching and boundary conditions are enforced when the expansion is carried out to first order. Two cases are distinguished-one where the left boundary condition coincides with, or lies to the right of, the singular region, and another one where the left boundary condition lies to the left of the singular region. A simple example is used to illustrate the procedure where the obtained solution is uniformly valid to O(Epsilon(exp 2)). The potential application of this procedure to aeroassisted plane change is also described and partially evaluated.

Calise, Anthony J.↗

NASA NTRS1991

Spillover, nonlinearity, and flexible structures

Many systems whose evolution in time is governed by Partial Differential Equations (PDEs) are linearized around a known equilibrium before Computer Aided Control Engineering (CACE) is considered. In this case, there are infinitely many independent vibrational modes, and it is intuitively evident on physical grounds that infinitely many actuators would be needed in order to control all modes. A more precise, general formulation of this grave difficulty (spillover problem) is due to A.V. Balakrishnan. A possible route to circumvention of this difficulty lies in leaving the PDE in its original nonlinear form, and adding the essentially finite dimensional control action prior to linearization. One possibly applicable technique is the Liapunov Schmidt rigorous reduction of singular infinite dimensional implicit function problems to finite dimensional implicit function problems. Omitting details of Banach space rigor, the formalities of this approach are given.

Bass, Robert W.↗

NASA NTRS1994

Principal modes of atmospheric circulation anomalies associated with global angular momentum fluctuations

This paper provides a description of the variability of global atmospheric angular momentum (GAM) and its relationship with principal modes of three-dimensional atmospheric circulation anomalies. The data used are 5-day mean global wind fields from the European Centre for Medium-Range Weather Forecasts initialized dataset for 1980-1989. Significant seasonal variation of GAM is observed with maxima in April and November and a minimum during late July. The amplitude of the annual cycle is largest in the upper troposphere and decreases toward the surface. Although the lower tropospheric contribution to the total angular momentum is relatively small, its annual cycle is out of phase with those of the upper atmosphere and GAM. Also identified is a distinct semiannual component, with double peaks appearing in April and November. This signal is most noticeable in the upper troposphere above the 300-mb level. The principal modes of zonal-mean angular momentum and meridional circulation anomalies and their coupled modes are obtained by using empirical orthogonal function analysis and singular value decomposition. It is shown that the leading modes of the angular momentum and meridional circulation are coupled with each other and are responsible for much of the variability in GAM. The coupled modes represent fluctuations of upper-level subtropical zonal flow, which are linked to the modulation of Hadley circulation intensity in both hemispheres. It is found that GAM is highly correlated with the first eigenvector of upper-level streamfunction anomalies, which consists of a superrotational flow in the tropics and subtropics, except over the central Pacific where a 'blocked' flow with two subtropical anticyclonic circulation cells straddling the equator is found. Much of the blocked flow is due to the establishment of dipole anomalies in the velocity potential with centers over the central Pacific and the Maritime Continent on the interannual time scale. On the intraseasonal time scale, GAM fluctuation is dominated by superrotational flow in the tropics, with the blocked flow present to a much lesser extent. The associated velocity potential anomaly has a weak dipole structure with centers over the Indian Ocean and the eastern Pacific. The implications of the above results on the total angular momentum balance of the earth-atmosphere system are also discussed.

Kang, In-Sik↗

NASA NTRS1944

On the flow of a compressible fluid by the hodograph method II : fundamental set of particular flow solutions of the Chaplygin differential equation

The differential equation of Chaplygin's jet problem is utilized to give a systematic development of particular solutions of the hodograph flow equations, which extends the treatment of Chaplygin into the supersonic range and completes the set of particular solutions. The particular solutions serve to place on a reasonable basis the use of velocity correction formulas for the comparison of incompressible and compressible flows. It is shown that the geometric-mean type of velocity correction formula introduced in part I has significance as an over-all type of approximation in the subsonic range. A brief review of general conditions limiting the potential flow of an adiabatic compressible fluid is given and application is made to the particular solutions, yielding conditions for the existence of singular loci in the supersonic range. The combining of particular solutions in accordance with prescribed boundary flow conditions is not treated in the present paper.

Garrick, I E↗

NASA NTRS1944

On the Flow of a Compressible Fluid by the Hodograph Method. II - Fundamental Set of Particular Flow Solutions of the Chaplygin Differential Equation

Garrick, I. E.↗

DOE OSTI2020

Khuri-Treiman equations for 3$π$ decays of particles with spin

Khuri-Treiman equations have proven to be a useful theoretical tool in the analysis of three-body decays, especially into the 3$π$ final state. In this work we present in full detail the necessary generalization of the formalism to study the decays of particles with arbitrary spin, parity, and charge conjugation. To this extent, we find it most convenient to work with helicity amplitudes instead of the so-called invariant amplitudes, especially when dealing with the unitarity relations. The isobar expansions in the three possible ( s-, t-, and u- ) final channels are related with the appropriate crossing matrices. We pay special attention to the kinematical singularities and constraints of the helicity amplitudes, showing that these can be derived by means of the crossing matrix.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

DT-HYDRO

The software solves the time dependent, one dimensional (1D) coupled mass and momentum balance equations governing the elastic flow of water through the penstock, turbine and draft tube in a hydroelectric facility using a high order finite volume based method. The numerical method is based on the Kurganov-Tadmor central method paired with the Monotonic Upstream-centered Scheme for Conservation Laws (MUSCL). This solution method accurately resolves the fast transient behavior of the flow, including water hammer. Additionally, the software estimates the full 3D flow field within the turbine chamber in real time, a feat that is made possible by leveraging pre-computed CFD results by utilizing a reduced order modeling method based on an efficient randomized singular value decomposition (SVD) driven proper orthogonal decomposition (POD) with POD-mode weight regression. The reduced order model of the 3D flow is directly coupled to the 1D elastic flow model so the entire flow field through the penstock and turbine system is resolved quickly and with high fidelity.

Gurecky, William [Oak Ridge National Laboratory (O↗

NASA NTRS1986

Transonic Navier-Stokes wing solutions using a zonal approach. Part 2: High angle-of-attack simulation

A computer code is under development whereby the thin-layer Reynolds-averaged Navier-Stokes equations are to be applied to realistic fighter-aircraft configurations. This transonic Navier-Stokes code (TNS) utilizes a zonal approach in order to treat complex geometries and satisfy in-core computer memory constraints. The zonal approach has been applied to isolated wing geometries in order to facilitate code development. Part 1 of this paper addresses the TNS finite-difference algorithm, zonal methodology, and code validation with experimental data. Part 2 of this paper addresses some numerical issues such as code robustness, efficiency, and accuracy at high angles of attack. Special free-stream-preserving metrics proved an effective way to treat H-mesh singularities over a large range of severe flow conditions, including strong leading-edge flow gradients, massive shock-induced separation, and stall. Furthermore, lift and drag coefficients have been computed for a wing up through CLmax. Numerical oil flow patterns and particle trajectories are presented both for subcritical and transonic flow. These flow simulations are rich with complex separated flow physics and demonstrate the efficiency and robustness of the zonal approach.

Chaderjian, N. M.↗

DOE OSTI2020

Inertial dynamics of an interface with interfacial mass flux: Stability and flow fields’ structure, inertial stabilization mechanism, degeneracy of Landau’s solution, effect of energy fluctuations, and chemistry-induced instabilities

This work focuses on the long-standing problem of inertial dynamics of an interface with interfacial mass flux and reports new mechanisms for the interface stabilization and destabilization. The interface is a phase boundary separating fluids of different densities and having interfacial mass flux. To analyze the interface dynamics from a far field, we develop and apply the general matrix method to rigorously solve the boundary value problem involving the governing equations in the fluid bulk and the boundary conditions at the interface and at the outside boundaries of the domain. We find the fundamental solutions for the linearized system of equations and analyze the interplay of interface stability with flow fields’ structure by directly linking rigorous mathematical attributes to physical observables. We find that the interface is stable when the dynamics conserves the fluxes of mass, momentum, and energy; the stabilization is due to an inertial mechanism causing small oscillations of the interface velocity. In the classic Landau’s dynamics, the postulate of perfect constancy of the interface velocity leads to the development of Landau–Darrieus instability. This destabilization is also linked to the imbalance of the perturbed energy at the interface. The classic Landau’s solution is found to have degeneracy; lifting of the degeneracy may lead to singularity and self-similar dynamics. Our results compare well with traditional theories of combustion and propose new experiments to study the dynamics of the interface and the flow fields in combustible systems. We further conduct reactive molecular dynamics simulations to elucidate the complexity of chemical processes, to study the destabilizing effect of energy fluctuations on the interface stability, and to illustrate the chemistry-induced instabilities. In summary, we identify the extreme sensitivity of the interface dynamics to the interfacial boundary conditions, including the formal properties of fundamental solutions and the qualitative and quantitative properties of the flow fields. This provides new opportunities for studies, diagnostics, and control of multiphase flows in a broad range of processes in nature and technology.

42 ENGINEERING↗

DOE OSTI2026

SODAs: sparse optimization for the discovery of differential and algebraic equations

Differential-algebraic equations (DAEs) integrate ordinary differential equations (ODEs) with algebraic constraints, providing a fundamental framework for developing models of dynamical systems characterized by time-scale separation, conservation laws and physical constraints. While sparse optimization has revolutionized model development by allowing data-driven discovery of parsimonious models from a library of possible equations, existing approaches for dynamical systems assume DAEs can be reduced to ODEs by eliminating variables before model discovery. This assumption limits the applicability of such methods for DAE systems with unknown constraints and time scales. We introduce sparse optimization for differential-algebraic systems (SODAs), a data-driven method for the identification of DAEs in their explicit form. By discovering the algebraic and dynamic components sequentially without prior identification of the algebraic variables, this approach leads to a sequence of convex optimization problems. It has the advantage of discovering interpretable models that preserve the structure of the underlying physical system. To this end, SODAs improves since SODAs is singular numerical stability when handling high correlations between library terms, caused by near-perfect algebraic relationships, by iteratively refining the conditioning of the candidate library. We demonstrate the performance of our method on biological, mechanical and electrical systems, showcasing its robustness to noise in both simulated time series and real-time experimental data.

DAE↗

DOE OSTI2020

Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets

Natural orbitals are often used to achieve a more compact representation of correlated wave-functions. Using natural orbitals computed as eigenstates of the virtual–virtual block of the state density matrix instead of the canonical Hartree–Fock orbitals results in smaller errors when the same fraction of virtual space is frozen. This strategy, termed frozen natural orbital (FNO) approach, is effective in reducing the cost of regular coupled-cluster (CC) calculations and some multistate methods, such as EOM-IP-CC (equation-of-motion CC for ionization potentials). This contribution extends the FNO approach to the EOM-SF-CC ansatz (EOM-CC with spin-flip). In contrast to EOM-IP-CCSD, EOM-SF-CCSD relies on high-spin open-shell references. Using FNOs computed for an open-shell reference leads to an erratic behavior of the EOM-SF-CC energies and properties due to an inconsistent truncation of the α and β orbital spaces. A general solution to problems arising in the EOM-CC calculations utilizing open-shell references, termed OSFNO (open-shell FNO), is proposed. Furthermore, by means of singular value decomposition (SVD) of the overlap matrix of the α and β orbitals, the OSFNO algorithm identifies the corresponding orbitals and determines virtual orbitals corresponding to the singly occupied space. This is followed by SVD of the singlet part of the state density matrix in the remaining virtual orbital subspace. The so-computed FNOs preserve the spin purity of the open-shell orbital subspace to the extent allowed by the original reference, thus facilitating a safe truncation of the virtual space. The performance of OSFNO is benchmarked for selected diradicals and triradicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Dynamic mode decomposition with core sketch

With the increase in collected data volumes, either from experimental measurements or high fidelity simulations, there is an ever-growing need to develop computationally efficient tools to process, analyze, and interpret these datasets. Modal analysis techniques have gained great interest due to their ability to identify patterns in the data and extract valuable information about the system being considered. Dynamic mode decomposition (DMD) relies on elements of the Koopman approximation theory to compute a set of modes, each associated with a fixed oscillation frequency and a decay/growth rate. Extracting these details from large datasets can be computationally expensive due to the need to implement singular value decomposition of the input data matrix. Sketching algorithms have become popular in numerical linear algebra where statistical theoretic approaches are utilized to reduce the cost of major operations. A sketch of a matrix is another matrix, which is significantly smaller, but still sufficiently approximates the original system. We put forth an efficient DMD framework, SketchyDMD, based on a core sketching algorithm that captures information about the range and corange (their mutual relationship) of input data. The proposed sketching-based framework can accelerate various portions of the DMD routines, compared to classical methods that operate directly on the raw input data. We conduct numerical experiments using the spherical shallow water equations as a prototypical model in the context of geophysical flows. In conclusion, we show that the proposed SketchyDMD is superior to existing randomized DMD methods that are based on capturing only the range of the input data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Evaluation of data driven low-rank matrix factorization for accelerated solutions of the Vlasov equation

Low-rank methods have shown success in accelerating simulations of a collisionless plasma described by the Vlasov equation, but still rely on computationally costly linear algebra every time step. We propose a data-driven factorization method using artificial neural networks, specifically with convolutional layer architecture, that trains on existing simulation data. At inference time, the model outputs a low-rank decomposition of the distribution field of the charged particles, and we demonstrate that this step is faster than the standard linear algebra technique. Numerical experiments show that the method achieves comparable reconstruction accuracy for interpolation tasks, generalizing to unseen test data in a manner beyond just memorizing training data; patterns in factorization also inherently followed the same numerical trend as those within algebraic methods (e.g., truncated singular-value decomposition). However, when training on the first 70% of a time-series data and testing on the remaining 30%, the method fails to meaningfully extrapolate. Despite this limiting result, the technique may have benefits for simulations in a statistical steady-state or otherwise showing temporal stability. These results suggest that while the model offers a computationally efficient alternative for datasets with temporal stability, its current formulation is best suited for interpolation rather than for predicting future states in time-evolving systems. This study thus lays the groundwork for further refinement of neural network-based approaches to low-rank matrix factorization in high-dimensional plasma simulations.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2019

Comparing Flood-Producing Catastrophic Hurricanes in GEOS: A Study of Juan 1985 and Harvey 2017

Hurricanes Juan (1985) and Harvey (2017) bear remarkable similarities because of the exceptional amount of accumulated precipitation over coastal regions in the Gulf, consequent to the peculiar and rare situation in which a hurricane stalls for several days on a coastal area, displaying minimal progress. This is particularly dangerous because: a) terrestrial drag affect only part of the circulation so that weakening is not as fast as when there is rapid motion inland; b) a part of the circulation remains over water and as such low-level moisture flux convergence is maintained; c) precipitation lasts for a very long time over the same area; d) moisture recycling from flooded areas further contributes to maintaining flood conditions. From the forecast perspective, hurricanes with track singularities such as stalling points, loops, or multiple landfalls over the same region are exceptionally difficult to predict because they result from small variations of opposing mechanisms and are therefore intrinsically unstable. Intensity fluctuations and track singularities are strongly coupled. The representation of fluxes undergoing differential drag (ocean vs. land) inside the same circulation is critically dependent upon resolution. Recent modeling development efforts within the NASA Global Modeling and Assimilation Office (GMAO) have brought the horizontal resolution of the global cubed-sphere Goddard Earth Observing System (GEOS) atmospheric model down to 12 km. This has led to innovative findings in the field of tropical cyclone (TC) modeling within a global framework. The GEOS atmospheric model and data assimilation system (DAS), used to produce the MERRA-2 (Modern Era Retrospective analysis for Research and Applications) reanalysis, has a "Replay" capability that adds a forcing term to the model equations to constrain it to follow a specified trajectory. This capability is used to produce global, downscaled versions of the 50 km MERRA-2 reanalysis at a 12.5 km resolution. The full DAS and replay modes both use the Incremental Analysis Update or IAU for applying an analysis increment to the model's background state four times each day at 00Z, 06Z, 12Z and 18Z. In a full DAS mode, a six-hour free run of the model is made (Predictor Step), writing states that will be used as backgrounds or first-guesses for the analysis centered on 00Z. The Analysis system then produces its best estimate of the 00Z state by blending backgrounds with observations. The difference between this best estimate and the model's original first guess at 00Z is treated as an analysis increment and added uniformly as a forcing term to the model during a second, now forced, run of the 12Z to 03Z window, which produces the assimilated results. Replay mode is very similar, except only the 00Z background is needed from the predictor segment, which is thus half as long, and instead of doing an analysis, a previously analyzed state at 00Z is read in. The increment is then computed and applied to the corrector step in the same way as in the original DAS. When downscaling horizontal spatial filters can be applied to the "analysis" increment used to force the Corrector step, so as to reproduce the full meteorological state or selectively choose or discard certain forcings. In this presentation, full global hindcast simulations of Juan and operational forecasts of Harvey are compared.

Flooding↗

DOE OSTI2025

A Parametric, Data-Driven, Non-Intrusive Reduced-Order Model Framework for Crystal Plasticity Simulations of Voids

The influence of the internal structure at micrometer length scales on the deformation of polycrystalline materials can be effectively captured using crystal plasticity finite element methods (CPFEM). However, the complexity and nonlinearity of the deformation equations CPFEM solves demand significant computational power and resources to achieve accurate predictions, limiting its broader application. To address this challenge, we have identified a reduced-order representation of the complex data in order to establish a computationally efficient reduced-order models (ROM) and drastically reduce the computational expense of CPFEM. Specifically, in this work, we developed a parametric, data-driven, and non-intrusive ROM framework for CPFEM using proper orthogonal decomposition (POD) and sparse variational Gaussian process (SVGP) regression for single-crystal microstructures under tensile loading conditions. The developed protocol enables one to compress field into a latent/low-dimensional space described by principal component analysis (PCA) via the singular value decomposition (SVD) algorithm. As a result, the high-dimensional data are reduced to a significantly smaller amount of dimensions with POD bases and POD coefficients. Furthermore, we deployed an ensemble of SVGPs—extended from the classical Gaussian process (GP) regression for scalability and handling big data—in a massively parallel manner to train and predict latent POD coefficients using known POD bases from a set of previously obtained simulations results. Lastly, using the predicted POD coefficients, we reconstructed the full-field results and showed reasonable agreement compared with the true values obtained from running CPFEM. The developed framework is validated with a set of CPFEM simulations of a single embedded void in single-crystal aluminum alloy. While the framework is broadly applicable, this work specifically focuses on single-crystal microstructures, a single load case (e.g., tensile), and a specific void geometry (spherical).

Anisotropy↗

NASA NTRS1984

Theoretical analysis of aircraft afterbody flow

The strongly interactive flow field about aircraft afterbodies is investigated using computational techniques by which the thin-shear-layer formulation of the compressible, Reynolds-averaged Navier-Stokes equations is solved. A time-dependent implicit numerical algorithm is used to obtain solutions for a variety of afterbody and nozzle geometries, within the class of bodies of revolution, for both subsonic and supersonic external flow, and for sonic and supersonic underexpanded jets. Only centered nozzles with either a sharp lip or a blunt base are considered. In all cases, computed results are compared with experimental data taken at flight Reynolds numbers for like-flow conditions. Turbulence closure is realized using algebraic eddy-viscosity concepts. A new and unique adaptive-grid technique is used to resolve flow regimes with large gradients and to improve the accuracy and efficiency of the computational scheme. Special singular point boundary conditions are used for similar purposes, and are especially effective for highly under-expanded jets. For all cases considered, except one with a very large base-to-nozzle-exit-diameter ratio, the agreement with experimental measurements is excellent. For geometries with large base regions, enhancements in the turbulence transport model are necessary to support improvements in the flow-field simulation.

Deiwert, G. S.↗

NASA NTRS1987

Program VSAERO theory document: A computer program for calculating nonlinear aerodynamic characteristics of arbitrary configurations

The VSAERO low order panel method formulation is described for the calculation of subsonic aerodynamic characteristics of general configurations. The method is based on piecewise constant doublet and source singularities. Two forms of the internal Dirichlet boundary condition are discussed and the source distribution is determined by the external Neumann boundary condition. A number of basic test cases are examined. Calculations are compared with higher order solutions for a number of cases. It is demonstrated that for comparable density of control points where the boundary conditions are satisfied, the low order method gives comparable accuracy to the higher order solutions. It is also shown that problems associated with some earlier low order panel methods, e.g., leakage in internal flows and junctions and also poor trailing edge solutions, do not appear for the present method. Further, the application of the Kutta conditions is extremely simple; no extra equation or trailing edge velocity point is required. The method has very low computing costs and this has made it practical for application to nonlinear problems requiring iterative solutions for wake shape and surface boundary layer effects.

Maskew, Brian↗

NASA NTRS1986

An analysis of finite-difference and finite-volume formulations of conservation laws

Finite-difference and finite-volume formulations are analyzed in order to clear up the confusion concerning their application to the numerical solution of conservation laws. A new coordinate-free formulation of systems of conservation laws is developed, which clearly distinguishes the role of physical vectors from that of algebraic vectors which characterize the system. The analysis considers general types of equations--potential, Euler, and Navier-Stokes. Three-dimensional unsteady flows with time-varying grids are described using a single, consistent nomeclature for both formulations. Grid motion due to a non-inertial reference frame as well as flow adaptation is covered. In comparing the two formulations, it is found useful to distinguish between differences in numerical methods and differences in grid definition. The former plays a role for non-Cartesian grids, and results in only cosmetic differences in the manner in which geometric terms are handled. The differences in grid definition for the two formulations is found to be more important, since it affects the manner in which boundary conditions, zonal procedures, and grid singularities are handled at computational boundaries. The proper interpretation of strong and weak conservation-law forms for quasi-one-dimensional and axisymmetric flows is brought out.

Vinokur, Marcel↗