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At least 379 records · Page 21

A new technique for calculating reentry base heating

The laminar base flow field of a two-dimensional reentry body has been studied by Telenin's method. The flow domain was divided into strips along the x-axis, and the flow variations were represented by Lagrange interpolation polynomials in the transformed vertical coordinate. The complete Navier-Stokes equations were used in the near wake region, and the boundary layer equations were applied elsewhere. The boundary conditions consisted of the flat plate thermal boundary layer in the forebody region and the near wake profile in the downstream region. The resulting two-point boundary value problem of 33 ordinary differential equations was then solved by the multiple shooting method. The detailed flow field and thermal environment in the base region are presented in the form of temperature contours, Mach number contours, velocity vectors, pressure distributions, and heat transfer coefficients on the base surface. The maximum heating rate was found on the centerline, and the two-dimensional stagnation point flow solution was adquate to estimate the maximum heating rate so long as the local Reynolds number could be obtained.

Meng, J. C. S.↗

A numerical method for solving the Vlasov equation

A numerical procedure is derived for the solution of the Vlasov-Poisson system of equations in two phase-space variables. Derivatives with respect to the phase-space variables are approximated by a weighted sum of the values of the distribution function at property chosen neighboring points. The resulting set of ordinary differential equations is then solved by using an appropriate time intergration scheme. The accuracy of the proposed method is tested with some simple model problems. The results for the free streaming case, linear Landau damping, and nonlinear Landau damping are investigated and compared with those of the splitting scheme. The proposed method is found to be very accurate and efficient.

Satofuka, N.↗

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

Pratt, D. T.↗

Some aspects of high-order numerical solutions of the linear convection equation with forced boundary conditions

A six-stage low-storage Runge-Kutta time-marching method is presented and shown to be an efficient method for use with high-accuracy spatial difference operators for wave propagation problems. The accuracy of the method for inhomogeneous ordinary differential equations is demonstrated through numerical solutions of the linear convection equation with forced boundary conditions. Numerical experiments are presented simulating a sine wave and a Gaussian pulse propagating into and through the domain. For practical levels of mesh refinement corresponding to roughly ten points per wavelength, the six-stage Runge-Kutta method is more accurate than the popular fourth-order Runge-Kutta method. Further numerical experiments are presented which show that the numerical boundary scheme at an inflow boundary can be a significant source of error when high-accuracy spatial discretizations are used.

Zingg, D. W.↗

Solving differential‐algebraic equations in power system dynamic analysis with quantum computing

Abstract Power system dynamics are generally modeled by high dimensional non‐linear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system's DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system non‐linearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system's DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.

computational complexity↗

Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow

We report, in fluid physics, data-driven models to enhance or accelerate time to solution are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In the context of reduced order models of high-dimensional time-dependent fluid systems, machine learning methods grant the benefit of automated learning from data, but the burden of a model lies on its reduced-order representation of both the fluid state and physical dynamics. In this work, we build a physics-constrained, data-driven reduced order model for Navier–Stokes equations to approximate spatiotemporal fluid dynamics in the canonical case of isotropic turbulence in a triply periodic box. The model design choices mimic numerical and physical constraints by, for example, implicitly enforcing the incompressibility constraint and utilizing continuous neural ordinary differential equations for tracking the evolution of the governing differential equation. We demonstrate this technique on a three-dimensional, moderate Reynolds number turbulent fluid flow. In assessing the statistical quality and characteristics of the machine-learned model through rigorous diagnostic tests, we find that our model is capable of reconstructing the dynamics of the flow over large integral timescales, favoring accuracy at the larger length scales. More significantly, comprehensive diagnostics suggest that physically interpretable model parameters, corresponding to the representations of the fluid state and dynamics, have attributable and quantifiable impact on the quality of the model predictions and computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

JuliaOceanWaves

SAND2023-05107O JuliaOceanWaves is a collection of packages and functions for modeling wave energy converters. The open-source software is designed to be used by the wave energy community to model new concepts, perform design optimization, and more. Capabilities include: • A representation of ocean wave spectra and input/output (e.g. read from National Oceanic and Atmospheric Administration buoys) and post-processing functionalities; • A solver for the linear potential flow radiation and diffraction equations for wave forcing on floating structures. • Solving the floating body linear dynamics in the frequency domain. Future additions to the software will include solving non-linear floating body dynamics in the time-domain through time-marching Ordinary Differential Equation solvers and the pseudo-spectral optimization method. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Michelen Strofer, Carlos↗

Low-Dimensional Dynamical Models of Thermal Convection

A low-dimensional dynamic model for transitional buoyancy-driven flow in a differentially heated tall enclosure is presented. The full governing partial differential equations with the associated boundary conditions are solved by a spectral element method for a cavity of aspect ratio A=20. Proper orthogonal decomposition is applied to the oscillatory solution at Prandtl number Pr=P tau (omega) = 0.71 and Grashof number G tau (omega) = 3.2 x 10 (exp 4) to construct empirical eigenfunctions. Using the four most energetic empirical eigenfunctions for the velocity and temperature as basis functions and applying Galerkin's method, a reduced model consisting of eight nonlinear ordinary differential equations is obtained. Close to the 'design' conditions (P tau(omega) G tau(omega)), the low-order model (LOM) predictions are in excellent agreement with the predictions of the full model. In particular, the critical Grashof number at the onset of the first temporal flow instability (Hopf bifurcation) was well as the frequency and amplitude of oscillations at supercritical conditions are in excellent agreement with the predictions of the full model. Far from the 'design' conditions, the LOM predicts the existence of multiple stable steady solutions at large values of G tau, and a unique stable steady solution at small values of G tau, and exhibits hysteretic behavior that is qualitatively similar to that observed in direct numerical simulations based on the full model.

Liakopoulos, Anthony↗

A scalable matrix-free spectral element approach for unsteady PDE constrained optimization using PETSc/TAO

In this work, we provide a new approach for the efficient matrix-free application of the transpose of the Jacobian for the spectral element method for the adjoint-based solution of partial differential equation (PDE) constrained optimization. This results in optimizations of nonlinear PDEs using explicit integrators where the integration of the adjoint problem is not more expensive than the forward simulation. Solving PDE constrained optimization problems entails combining expertise from multiple areas, including simulation, computation of derivatives, and optimization. The Portable, Extensible Toolkit for Scientific computation (PETSc) together with its companion package, the Toolkit for Advanced Optimization (TAO), is an integrated numerical software library that contains an algorithmic/software stack for solving linear systems, nonlinear systems, ordinary differential equations, differential algebraic equations, and large-scale optimization problems and, as such, is an ideal tool for performing PDE-constrained optimization. This paper describes an efficient approach in which the software stack provided by PETSc/TAO can be used for large-scale nonlinear time-dependent problems. Time integration can involve a range of high-order methods, both implicit and explicit. The PDE-constrained optimization algorithm used is gradient-based and seamlessly integrated with the simulation of the physical problem.

97 MATHEMATICS AND COMPUTING↗

Some MACSYMA program for solving difference equations

A set of MACSYMA programs are described for finding closed form solutions to linear recurrence relations in equations having either constant or variable coefficients. In the homogenous case, a polymonial equation is obtained and the solution to the recurrence relation can be written as a linear combination of the roots of the polynomial. Exponential generating functions are used to solve variable coefficient relations. Taking successive derivatives and using the recurrence relation, an ordinary differential equation is obtained. Expanding the solution to the differential equation in a Taylor series, shows that the nth term of the series is the solution to the recurrence relation. For second order recurrences, a check is made for those that can be solved in terms of Bessel functions.

Ivie, J.↗

Quantum algorithm for the linear Vlasov equation with collisions

The Vlasov equation is a nonlinear partial differential equation that provides a first-principles description of the dynamics of plasmas. Its linear limit is routinely used in plasma physics to investigate plasma oscillations and stability. In this paper, we present a quantum algorithm that simulates the linearized Vlasov equation with and without collisions, in the one-dimensional electrostatic limit. Rather than solving this equation in its native spatial and velocity phase space, we adopt an efficient representation in the dual space yielded by a Fourier-Hermite expansion. For a given simulation time, the Fourier-Hermite representation is exponentially more compact, thus yielding a classical algorithm that can match the performance of a previously proposed quantum algorithm for this problem. Further, this representation results in a system of linear ordinary differential equations (ODEs) which can be solved with well-developed quantum algorithms: a Hamiltonian simulation in the collisionless case, and quantum ODE solvers in the collisional case. In particular, we demonstrate that a quadratic speedup in system size is attainable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Score-Based Physics-Informed Neural Networks for High-Dimensional Fokker–Planck Equations

The Fokker-Planck (FP) equation is a foundational partial differential equation (PDE) in stochastic processes involving Brownian motions. However, the curse of dimensionality (CoD) poses a formidable challenge when dealing with high-dimensional FP equations. Although Monte Carlo simulation and (vanilla) Physics-Informed Neural Networks (PINNs) have shown the potential to tackle CoD, both methods exhibit significant numerical errors in high dimensions when dealing with the probability density function (PDF) associated with Brownian motion. The point-wise PDF values tend to decrease exponentially as dimensionality increases, surpassing the precision of numerical simulations and resulting in substantial errors. In addition, due to its massive sampling, Monte Carlo fails to offer fast sampling. Modeling the logarithm likelihood (LL) via vanilla PINNs transforms the FP equation into a notoriously difficult Hamilton-Jacobi-Bellman (HJB) equation, which is impractical for PINN learning, whose error grows rapidly with dimension. To this end, we propose a novel approach utilizing a score-based solver to fit the score function in stochastic differential equations (SDEs). The score function, defined as the gradient of the LL, plays a fundamental role in inferring LL and PDF and enables fast SDE sampling, offering an effective means to overcome the CoD. Three fitting methods, Score Matching (SM), Sliced Score Matching (SSM), and Score-PINN, are introduced, each contributing unique advantages in computational complexity, accuracy, and generality. The proposed score-based SDE solver operates in two stages: first, employing score matching or Score-PINN to acquire the score function; and second, solving the LL via an ordinary differential equation (ODE) using the obtained score function. Comparative evaluations across these methods showcase varying trade-offs. The proposed methodology is evaluated across diverse SDEs, including anisotropic Ornstein-Uhlenbeck processes, geometric Brownian motion, and Brownian motion with varying eigenspace. We also test various distributions, including Gaussian, Log-normal, Laplace, and Cauchy distributions. The numerical results demonstrate the score-based SDE solver’s stability, speed, and performance across different experimental settings, solidifying its potential as a solution to CoD for high-dimensional FP equations.

97 MATHEMATICS AND COMPUTING↗

Compressible Laminar Boundary Layer over a Yawed Infinite Cylinder with Heat Transfer and Arbitrary Prandtl Number

The equations are presented for the development of the compressible laminar boundary layer over a yawed infinite cylinder. For compressible flow with a pressure gradient the chordwise and spanwise flows are not independent. Using the Stewartson transformation and a linear viscosity-temperature relation yields a set of three simultaneous ordinary differential equations in a form yielding similar solutions. These equations are solved for stagnation-line flow for surface temperatures from zero to twice the free-stream stagnation temperature and for a wide range of yaw angle and free-stream Mach number. The results indicate that the effect of yaw on the heat-transfer coefficient at the stagnation line depends markedly on the free-stream Mach number. An unusual result of the solutions is that for large yaw angles and stream Mach numbers the chordwise velocity within the boundary layer exceeds the local external chordwise velocity, even for a highly cooled wall.

Reshotko, Eli↗

Photochemistry of Pluto's Atmosphere

This work include studies of two problems: (1) Modeling thermal balance, structure. and escape processes in Pluto's upper atmosphere. This study has been completed in full. A new method, of analytic solution for the equation of hydrodynamic flow from in atmosphere been developed. It was found that the ultraviolet absorption by methane which was previously ignored is even more important in Pluto's thermal balance than the extreme ultraviolet absorption by nitrogen. Two basic models of the lower atmosphere have been suggested, with a tropopause and a planetary surface at the bottom of the stellar occultation lightcurve, respectively, Vertical profiles, of temperature, density, gas velocity, and the CH4 mixing ratio have been calculated for these two models at low, mean, and high solar activity (six models). We prove that Pluto' " s atmosphere is restricted to 3060-4500 km, which makes possible a close flyby of future spacecraft. Implication for Pluto's evolution have also been discussed. and (2) Modeling of Pluto's photochemistry. Based on the results of (1), we have made some changes in the basic continuity equation and in the boundary conditions which reflect a unique can of hydrodynamic escape and therefore have not been used in modeling of other planetary atmospheres. We model photochemistry of 44 neutral and 23 ion species. This work required solution of a set of 67 second-order nonlinear ordinary differential equations. Two models have been developed. Each model consists of the vertical profiles for 67 species, their escape and precipitation rates. These models predict the chemical structure and basic chemical processes in the current atmosphere and possible implication of these processes for evolution. This study has also been completed in full.

Krasnopolsky, Vladimir A.↗

A Comprehensive Review of Latent Space Dynamics Identification Algorithms for Intrusive and Non-Intrusive Reduced-Order-Modeling

Numerical solvers of partial differential equations (PDEs) have been widely employed for simulating physical systems. However, the computational cost remains a major bottleneck in various scientific and engineering applications, which has motivated the development of reduced-order models (ROMs). Recently, machine-learning-based ROMs have gained significant popularity and are promising for addressing some limitations of traditional ROM methods, especially for advection dominated systems. In this chapter, we focus on a particular framework known as Latent Space Dynamics Identification (LaSDI), which transforms the high-fidelity data, governed by a PDE, to simpler and low-dimensional latent-space data, governed by ordinary differential equations (ODEs). These ODEs can be learned and subsequently interpolated to make ROM predictions. Each building block of LaSDI can be easily modulated depending on the application, which makes the LaSDI framework highly flexible. In particular, we present strategies to enforce the laws of thermodynamics into LaSDI models (tLaSDI), enhance robustness in the presence of noise through the weak form (WLaSDI), select high-fidelity training data efficiently through active learning (gLaSDI, GPLaSDI), and quantify the ROM prediction uncertainty through Gaussian processes (GPLaSDI). We demonstrate the performance of different LaSDI approaches on Burgers equation, a non-linear heat conduction problem, and a plasma physics problem, showing that LaSDI algorithms can achieve relative errors of less than a few percent and up to thousands of times speed-ups.

Computational Engineering, Finance, and Science (c↗

The solution of three-variable duct-flow equations

This paper establishes a numerical method for the solution of three-variable problems and is applied here to rotational flows through ducts of various cross sections. An iterative scheme is developed, the main feature of which is the addition of a duplicate variable to the forward component of velocity. Two forward components of velocity result from integrating two sets of first order ordinary differential equations for the streamline curvatures, in intersecting directions across the duct. Two pseudo-continuity equations are introduced with source/sink terms, whose strengths are dependent on the difference between the forward components of velocity. When convergence is obtained, the two forward components of velocity are identical, the source/sink terms are zero, and the original equations are satisfied. A computer program solves the exact equations and boundary conditions numerically. The method is economical and compares successfully with experiments on bent ducts of circular and rectangular cross section where secondary flows are caused by gradients of total pressure upstream.

Stuart, A. R.↗

Vortex equations: Singularities, numerical solution, and axisymmetric vortex breakdown

A method of weighted residuals for the computation of rotationally symmetric quasi-cylindrical viscous incompressible vortex flow is presented and used to compute a wide variety of vortex flows. The method approximates the axial velocity and circulation profiles by series of exponentials having (N + 1) and N free parameters, respectively. Formal integration results in a set of (2N + 1) ordinary differential equations for the free parameters. The governing equations are shown to have an infinite number of discrete singularities corresponding to critical values of the swirl parameters. The computations point to the controlling influence of the inner core flow on vortex behavior. They also confirm the existence of two particular critical swirl parameter values: one separates vortex flow which decays smoothly from vortex flow which eventually breaks down, and the second is the first singularity of the quasi-cylindrical system, at which point physical vortex breakdown is thought to occur.

Bossel, H. H.↗

On the nonlinear stability of the unsteady, viscous flow of an incompressible fluid in a curved pipe

The stability of the flow of an incompressible, viscous fluid through a pipe of circular cross-section curved about a central axis is investigated in a weakly nonlinear regime. A sinusoidal pressure gradient with zero mean is imposed, acting along the pipe. A WKBJ perturbation solution is constructed, taking into account the need for an inner solution in the vicinity of the outer bend, which is obtained by identifying the saddle point of the Taylor number in the complex plane of the cross-sectional angle co-ordinate. The equation governing the nonlinear evolution of the leading order vortex amplitude is thus determined. The stability analysis of this flow to periodic disturbances leads to a partial differential system dependent on three variables, and since the differential operators in this system are periodic in time, Floquet theory may be applied to reduce this system to a coupled infinite system of ordinary differential equations, together with homogeneous uncoupled boundary conditions. The eigenvalues of this system are calculated numerically to predict a critical Taylor number consistent with the analysis of Papageorgiou. A discussion of how nonlinear effects alter the linear stability analysis is also given, and the nature of the instability determined.

Shortis, Trudi A.↗