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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5

Probabilistic error estimation for non-intrusive reduced models learned from data of systems governed by linear parabolic partial differential equations

This work derives a residual-based a posteriori error estimator for reduced models learned with non-intrusive model reduction from data of high-dimensional systems governed by linear parabolic partial differential equations with control inputs. It is shown that quantities that are necessary for the error estimator can be either obtained exactly as the solutions of least-squares problems in a non-intrusive way from data such as initial conditions, control inputs, and high-dimensional solution trajectories or bounded in a probabilistic sense. Here, the computational procedure follows an offline/online decomposition. In the offline (training) phase, the high-dimensional system is judiciously solved in a black-box fashion to generate data and to set up the error estimator. In the online phase, the estimator is used to bound the error of the reduced-model predictions for new initial conditions and new control inputs without recourse to the high-dimensional system. Numerical results demonstrate the workflow of the proposed approach from data to reduced models to certified predictions.

97 MATHEMATICS AND COMPUTING↗

Time-series forecasting using manifold learning, radial basis function interpolation, and geometric harmonics

We address a three-tier numerical framework based on nonlinear manifold learning for the forecasting of high-dimensional time series, relaxing the “curse of dimensionality” related to the training phase of surrogate/machine learning models. At the first step, we embed the high-dimensional time series into a reduced low-dimensional space using nonlinear manifold learning (local linear embedding and parsimonious diffusion maps). Then, we construct reduced-order surrogate models on the manifold (here, for our illustrations, we used multivariate autoregressive and Gaussian process regression models) to forecast the embedded dynamics. Finally, we solve the pre-image problem, thus lifting the embedded time series back to the original high-dimensional space using radial basis function interpolation and geometric harmonics. The proposed numerical data-driven scheme can also be applied as a reduced-order model procedure for the numerical solution/propagation of the (transient) dynamics of partial differential equations (PDEs). In conclusion, we assess the performance of the proposed scheme via three different families of problems: (a) the forecasting of synthetic time series generated by three simplistic linear and weakly nonlinear stochastic models resembling electroencephalography signals, (b) the prediction/propagation of the solution profiles of a linear parabolic PDE and the Brusselator model (a set of two nonlinear parabolic PDEs), and (c) the forecasting of a real-world data set containing daily time series of ten key foreign exchange rates spanning the time period 3 September 2001–29 October 2020.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical example of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.

42 ENGINEERING↗

Energy and Environmental Analyses of a Solar–Gas Turbine Combined Cycle with Inlet Air Cooling

Sensitivity to ambient air temperatures, consuming a large amount of fuel, and wasting a significant amount of heat dumped into the ambient atmosphere are three major challenges facing gas turbine power plants. This study was conducted to simultaneously solve all three aforementioned GT problems using solar energy and introducing a new configuration that consists of solar preheating and inlet-air-cooling systems. In this study, air was preheated at a combustion chamber inlet using parabolic trough collectors. Then, inlet air to the compressor was cooled by these collectors by operating an absorption cooling cycle. At the design point conditions, this novel proposed integration resulted in a 6.87% relative increase in generated power and a 10.53% relative decrement in fuel consumption, achieving a 19.45% relative increment in the plant’s thermal efficiency. This was accompanied by a reduction of 0.026 kg/s, 4.2 kg/s, and 0.278 kg/s in CO 2 , CO, and NOx emissions, respectively. Finally, spider diagrams were employed to assess the impact of the operating parameters on the overall system’s performance and its associated environmental implications.

14 SOLAR ENERGY↗

ASYMPTOTIC STEADY-STATE SOLUTION TO A BOW SHOCK WITH AN INFINITE MACH NUMBER

The problem of a cold gas flowing past a stationary obstacle is considered. We study the bow shock that forms around the obstacle and show that at large distances from the obstacle the shock front forms a parabolic solid of revolution. The profiles of the hydrodynamic variables in the interior of the shock are obtained by solution of the hydrodynamic equations in parabolic coordinates. The results are verified with a hydrodynamic simulation. The drag force on the obstacle is also calculated. Finally, we use these results to model the bow shock around an isolated neutron star.

79 ASTRONOMY AND ASTROPHYSICS↗

Analysis of Molten Salt Thermal Energy Storage Tank Sizing and Preheating

Molten Salt Thermal energy storage (TES) is essential for concentrating solar power (CSP) plants, enhancing their capacity factor and dispatchability to ultimately reduce electricity costs. This technology is becoming more important for other technologies including nuclear power, thermal-electrical storage, and concentrating solar thermal (CST). While molten salt TES tanks have been successfully deployed in lower-temperature parabolic-trough plants, the current state-of-the-art central receiver systems operating at temperatures up to 565 degrees Celsius have experienced costly and frequent failures. These failures are associated with the immaturity of the technology and problems in tank design, fabrication, commissioning and, sometimes, aggressive operation. A primary contributing factor is the absence of a dedicated technical standard for high-temperature molten nitrate TES tanks; designers must currently rely on existing codes like API 650 and ASME Section II, which are insufficient because they fail to account for the unique demands of high temperatures, thermal cycling, and transient conditions.

25 ENERGY STORAGE↗

Machine learning and serving of discrete field theories

A method for machine learning and serving of discrete field theories in physics is developed. The learning algorithm trains a discrete field theory from a set of observational data on a spacetime lattice, and the serving algorithm uses the learned discrete field theory to predict new observations of the field for new boundary and initial conditions. The approach of learning discrete field theories overcomes the difficulties associated with learning continuous theories by artificial intelligence. The serving algorithm of discrete field theories belongs to the family of structure-preserving geometric algorithms, which have been proven to be superior to the conventional algorithms based on discretization of differential equations. The effectiveness of the method and algorithms developed is demonstrated using the examples of nonlinear oscillations and the Kepler problem. In particular, the learning algorithm learns a discrete field theory from a set of data of planetary orbits similar to what Kepler inherited from Tycho Brahe in 1601, and the serving algorithm correctly predicts other planetary orbits, including parabolic and hyperbolic escaping orbits, of the solar system without learning or knowing Newton’s laws of motion and universal gravitation. The proposed algorithms are expected to be applicable when the effects of special relativity and general relativity are important.

97 MATHEMATICS AND COMPUTING↗

TMCI with Resonator Wakes

Transverse mode-coupling instability (TMCI) with a high-frequency resonator wake is examined by the Nested Head-Tail Vlasov solver (NHT), where a Gaussian bunch in a parabolic potential (GP model) is represented by concentric rings in the longitudinal phase space. It is shown that multiple mode couplings and decouplings make impossible an unambiguous definition of the threshold, unless Landau damping is taken into account. To address this problem, instead of a single instability threshold, an interval of thresholds is suggested, bounded by the low and high intensity ones. For the broadband impedance model, the high intensity threshold is shown to follow Zotter's scaling, but smaller by about a factor of two. The same scaling, this time smaller than Zotter's by a factor of four, is found for the ABS model (Air Bag Square well).

43 PARTICLE ACCELERATORS↗

Analytical expressions of the surface shape of ‘diaboloid’ mirrors

Modern deterministic polishing processes allow fabrication of x-ray optics with almost any arbitrary aspherical surface shape. Among these optics, the so called "diaboloid"mirror is of special interest. The diaboloid mirror that converts a cylindrical wave to a spherical wave would improve focusing in x-ray beamlines implementing a diffraction element between a parabolic cylinder and a toroidal mirror. The replacement of the toroidal mirror in existing beamlines by the diaboloid mirror would mitigate aberrations. The shape of the diaboloid mirror is usually calculated numerically based on a truncated polynomial solution of the optical path problem. Here, we present an exact analytical solution for the shape of a diaboloid mirror as a function of the conjugate parameters of the mirror placed in a beamline. The derived analytical expressions for the diaboloid mirror in both the canonical and mirror-based coordinate systems are implemented in ray-tracing simulations to verify the beamline performances.

Yashchuk, Valeriy V.↗

Regularity of Solutions to Quasilinear Parabolic Systems with Time-Nonsmooth Principal Matrix and the Neumann Boundary Condition

We consider a quasilinear parabolic system of equations with nondiagonal principal matrix in a model parabolic cylinder with the Neumann condition on the plane part Γ of the lateral surface of the cylinder. We prove the partial regularity (the Hölder continuity) of the weak solution in a neighborhood of Γ by the method of A(t)-caloric approximations adapted to the problem with the Neumann boundary condition.

97 MATHEMATICS AND COMPUTING↗

High Order Discontinuous Galerkin Method and Applications (Final Technical Report)

This project aims at the developments and improvements of high order accurate discontinuous Galerkin finite element methods for solving partial differential equations arising from DOE applications. Algorithm development, improvement, analysis, implementation and applications aspects are addressed. The partial differential equations under study involve solutions with shocks or other discontinuities, rapidly changing regions, or multiscale solutions. These include the so-called convection dominated cases, such as the hyperbolic equations (e.g. Euler equations of gas dynamics), parabolic equations with small viscosities (e.g. high Reynolds number Navier-Stokes equations), KdV type equations with small dispersion describing water waves (small third derivative terms), time-dependent bi-harmonic equations and equations with hyper-viscosity (small fourth or higher even derivative terms), problems with highly oscillatory coefficients, or problems for which the macro-scale PDE models may not be correct in localized regions and a micro-scale model must be used instead. Furthermore, we are interested in the long time solutions of such equations with waves traveling a long distance, such as the electromagnetic waves. The requirement on numerical methods is thus high order accuracy, low dissipation/dispersion errors over long time, and a clean and sharp discontinuity resolution. It would also be highly desirable to have the numerical methods to be flexible for complicated geometry and boundary conditions, and to be easy in an adaptive and massively parallel environment. The discontinuous Galerkin finite element method has this potential, however the design and analysis of the discontinuous Galerkin method for each specific class of partial differential equations would require detailed research.

97 MATHEMATICS AND COMPUTING↗

On quasiconformal maps and semilinear equations in the plane

Assume that Ω is a domain in the complex plane ℂ and A(z) is a symmetric 2×2 matrix function with measurable entries, detA = 1; and such that 1/K|ξ|{sup 2} ≤ 〈A(z)ξ, ξ〉 ≤ K|ξ|{sup 2}, ξ ∈ ℝ{sup 2}, 1 ≤ K < ∞ . In particular, for semilinear elliptic equations of the form div (A(z)∇u(z)) = f(u(z)) in Ω; we prove a factorization theorem that asserts that every weak solution u to the above equation can be expressed as the composition u = To𝜔; where 𝜔 : Ω → G stands for a K−quasiconformal homeomorphism generated by the matrix function A(z); and T(w) is a weak solution of the semilinear equation ∇T(w) = J(w)f(T(w)) in G: Here, the weight J(w) is the Jacobian of the inverse mapping 𝜔{sup −1}: Similar results hold for the corresponding nonlinear parabolic and hyperbolic equations. Some applications of these results to anisotropic media are given.

97 MATHEMATICS AND COMPUTING↗

Superconvergence analysis for nonlinear parabolic equation with EQ{sub 1}{sup rot} nonconforming finite element

EQ{sub 1}{sup rot} nonconforming finite element method (FEM) applied to a class of nonlinear parabolic equation is discussed. First, by use of two typical characters of this element (one is that the associated FE interpolation operator is identical to its traditional Ritz projection operator; the other is that the consistency error is of order O(h{sup 2}), one order higher than the interpolation error, when the exact solution of the problems belongs to H{sup 3}(Ω)), the supercloseness of order O(h{sup 2}) in broken H{sup 1}-norm for semi-discrete scheme is obtained without the boundedness of numerical solution in L{sup ∞}-norm through splitting the numerical solution into several parts. Moreover, we get the desired result with requirement of u,u{sub t}∈H{sup 3}(Ω) only. Secondly, a linearized Crank–Nicolson fully discrete scheme is proposed and the superclose property of order O(h{sup 2}+τ{sup 2}) is derived by constructing a suitable auxiliary problem. Finally, a numerical example is carried out to confirm our theoretical analysis. Here, h is the subdivision parameter and τ is the time step.

97 MATHEMATICS AND COMPUTING↗

A fourth-order accurate finite volume method for ideal MHD via upwind constrained transport

Here we present a fourth-order accurate finite volume method for the solution of ideal magnetohydrodynamics (MHD). The numerical method combines high-order quadrature rules in the solution of semi-discrete formulations of hyperbolic conservation laws with the upwind constrained transport (UCT) framework to ensure that the divergence-free constraint of the magnetic field is satisfied. A novel implementation of UCT that uses the piecewise parabolic method (PPM) for the reconstruction of magnetic fields at cell corners in 2D is introduced. The resulting scheme can be expressed as the extension of the second-order accurate constrained transport (CT) Godunov-type scheme that is currently used in the Athena astrophysics code. After validating the base algorithm on a series of hydrodynamics test problems, we present the results of multidimensional MHD test problems which demonstrate formal fourth-order convergence for smooth problems, robustness for discontinuous problems, and improved accuracy relative to the second-order scheme.

97 MATHEMATICS AND COMPUTING↗

Strict parabolicity of the multifractal spectrum at the Anderson transition

Using the well-known “algebra of multifractality,” we derive the functional equation for anomalous dimensions Δ{sub q}, whose solution Δ = χq(q–1) corresponds to strict parabolicity of the multifractal spectrum. This result demonstrates clearly that a correspondence of the nonlinear σ-models with the initial disordered systems is not exact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Features in simulation of crystal growth using the hyperbolic PFC equation and the dependence of the numerical solution on the parameters of the computational grid

We investigate the three-dimensional mathematical model of crystal growth called PFC (Phase Field Crystal) in a hyperbolic modification. This model is also called the modified model PFC (originally PFC model is formulated in parabolic form) and allows to describe both slow and rapid crystallization processes on atomic length scales and on diffusive time scales. Modified PFC model is described by the differential equation in partial derivatives of the sixth order in space and second order in time. The solution of this equation is possible only by numerical methods. Previously, authors created the software package for the solution of the Phase Field Crystal problem, based on the method of isogeometric analysis (IGA) and PetIGA program library. During further investigation it was found that the quality of the solution can strongly depends on the discretization parameters of a numerical method. In this report, we show the features that should be taken into account during constructing the computational grid for the numerical simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗