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SIERRA Multimechanics Module: Aria User Manual - Version 4.58

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic -adaptivity and dynamic load balancing are some of Arias more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria User Manual (V.5.0)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process %1Cows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Arias more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.0)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic -adaptivity and dynamic load balancing are some of Arias more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

Numerical method for the solution of large systems of differential equations of the boundary layer type

A numerical method for the solution of large systems of nonlinear differential equations of the boundary-layer type is described. The method is a modification of the technique for satisfying asymptotic boundary conditions. The present method employs inverse interpolation instead of the Newton method to adjust the initial conditions of the related initial-value problem. This eliminates the so-called perturbation equations. The elimination of the perturbation equations not only reduces the user's preliminary work in the application of the method, but also reduces the number of time-consuming initial-value problems to be numerically solved at each iteration. For further ease of application, the solution of the overdetermined system for the unknown initial conditions is obtained automatically by applying Golub's linear least-squares algorithm. The relative ease of application of the proposed numerical method increases directly as the order of the differential-equation system increases. Hence, the method is especially attractive for the solution of large-order systems. After the method is described, it is applied to a fifth-order problem from boundary-layer theory.

Green, M. J.↗

An historical survey of computational methods in optimal control.

Review of some of the salient theoretical developments in the specific area of optimal control algorithms. The first algorithms for optimal control were aimed at unconstrained problems and were derived by using first- and second-variation methods of the calculus of variations. These methods have subsequently been recognized as gradient, Newton-Raphson, or Gauss-Newton methods in function space. A much more recent addition to the arsenal of unconstrained optimal control algorithms are several variations of conjugate-gradient methods. At first, constrained optimal control problems could only be solved by exterior penalty function methods. Later algorithms specifically designed for constrained problems have appeared. Among these are methods for solving the unconstrained linear quadratic regulator problem, as well as certain constrained minimum-time and minimum-energy problems. Differential-dynamic programming was developed from dynamic programming considerations. The conditional-gradient method, the gradient-projection method, and a couple of feasible directions methods were obtained as extensions or adaptations of related algorithms for finite-dimensional problems. Finally, the so-called epsilon-methods combine the Ritz method with penalty function techniques.

Polak, E.↗

Application of Newton modified barrier method (NMBM) to structural optimization

This paper presents the application of the NMBM to obtain a minimum weight structure with constraints on displacements and minimum sizes. The solution to the problem is obtained via minimizing the Modified Barrier Function (MBF) at each step by using the Newton Method and updating Lagrange multipliers. The Lagrange multipliers are updated by using the value of the constraints at the minimum of the MBF. Three truss problems with a different number of design variables are solved. The convergence to the minimum weight design was found to be monotonic and the algorithm is potentially robust for solving problems with a large number of design variables.

Khot, N. S.↗

A modified secant method for unconstrained minimization

A gradient-secant algorithm for unconstrained optimization problems is presented. The algorithm uses Armijo gradient method iterations until it reaches a region where the Newton method is more efficient, and then switches over to a secant form of operation. It is concluded that an efficient method for unconstrained minimization has been developed, and that any convergent minimization method can be substituted for the Armijo gradient method.

Polak, E.↗

Estimating and Calibrating DER Model Parameters Using Levenberg–Marquardt Algorithm in Renewable Rich Power Grid

The proliferation of inverter-based distributed energy resources (IBDERs) has increased the number of control variables and dynamic interactions, leading to new grid control challenges. For stability analysis and designing appropriate protection controls, it is important that IBDER models are accurate. This paper focuses on the accurate estimation and parameter calibration of DER_A, a recently proposed aggregated IBDER model. In particular, we focus on the parameters of the reactive power–voltage regulation module. We formulate the problem of parameter tuning as a non-linear least square minimization problem and solve it using the Levenberg–Marquardt (LM) method. The LM method is primarily chosen due to its flexibility in adaptively selecting between the steepest descent and Gauss–Newton methods through a damping parameter. The LM approach is used to minimize the error between the actual measurements and the estimated response of the model. Further, the computational challenges posed by the numerical calculation of the Jacobian are tackled using a quasi-Newton root-finding approach. The proposed method is validated on a real feeder model in the northeastern part of the United States. The feeder is modeled in OpenDSS and the measurements thus obtained are fed to the DER_A model for calibration. The simulation results indicate that our approach is able to successfully calibrate the relevant model parameters quickly and with high accuracy, with a total sum of square error of 3.57 × 10 –7 .

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Towards an Automated Unstructured Grid Adaptation Workflow with VULCAN

Early work is presented for an unstructured grid adaptation workflow with VULCAN and refine. Anisotropic simplex grids are iteratively adapted to match a Riemannian metric tensor field describing desired mesh spacing. The Riemannian metric tensor field is obtained from Hessians of CFD solution output scalar sensor fields; both Mach number and static temperature sensor fields are explored. In addition, we describe a Newton-method-based solver recently implemented in VULCAN utilizing Jacobian-Free-Newton-Krylov that can be used to increase flow solver automation on early grids in the adadptation process. Hypersonic flow solutions are presented on a high Reynolds number flat plate and wall heat flux is compared against a highly resolved structured solution. Additionally, complex shock boundary-layer interaction is explored in a high Mach number compression corner and complex 3D flow phenomena are evaluated on the Boundary Layer Transition (BOLT) vehicle.

Matthew O'Connell↗

Dynamic structural correlation via nonlinear programming techniques

A solution to the correlation between structural dynamic test results and finite element analyses of the same components is presented in this paper. Basically, the method can be categorized as a Levenberg-Marquardt type Gauss-Newton method which requires only the differences between FE modal analyses and test results and their first derivatives with respect to preassigned design variables. With proper variable normalization and equation scaling, the method has been made numerically better-conditioned and the inclusion of the Levenberg-Marquardt technique overcomes any remaining difficulty encountered in inverting singular or near-singular matrices. An important feature is that each iteration requires only one function evaluation along with the associated design sensitivity analysis and so the procedure is computationally efficient.

Ting, T.↗

First MEM task IRMEO in IRAF

The first task for image restoration using the Maximum Entropy Method (MEM) in IRAF, called IRMEO, is described. The underlining algorithm is the approximate Newton method for optimization. The basic input images and parameters for deconvolution are described in some detail. Results of preliminary tests, including the number of iterations, required CPU time on a variety of computers, and deconvolved images are reported and compared with those from other deconvolution methods. The merits and limitations of this task are pointed out. The possible development of better MEM tasks on the basis of IRMEO is also discussed.

Wu, Nailong↗

Solution of a few nonlinear problems in aerodynamics by the finite elements and functional least squares methods

The numerical simulation of the transonic flows of idealized fluids and of incompressible viscous fluids, by the nonlinear least squares methods is presented. The nonlinear equations, the boundary conditions, and the various constraints controlling the two types of flow are described. The standard iterative methods for solving a quasi elliptical nonlinear equation with partial derivatives are reviewed with emphasis placed on two examples: the fixed point method applied to the Gelder functional in the case of compressible subsonic flows and the Newton method used in the technique of decomposition of the lifting potential. The new abstract least squares method is discussed. It consists of substituting the nonlinear equation by a problem of minimization in a H to the minus 1 type Sobolev functional space.

Periaux, J.↗

Bayesian Poroelastic Aquifer Characterization From InSAR Surface Deformation Data. Part I: Maximum A Posteriori Estimate

Characterizing the properties of groundwater aquifers is essential for predicting aquifer response and managing groundwater resources. In this work, we develop a high-dimensional scalable Bayesian inversion framework governed by a three-dimensional quasi-static linear poroelastic model to characterize lateral permeability variations in groundwater aquifers. In this work, we determine the maximum a posteriori (MAP) point of the posterior permeability distribution from centimeter-level surface deformation measurements obtained from Interferometric Synthetic Aperture Radar (InSAR). The scalability of our method to high parameter dimension is achieved through the use of adjoint-based derivatives, inexact Newton methods to determine the MAP point, and a Mat´ern class sparse prior precision operator. Together, these guarantee that the MAP point is found at a cost, measured in number of forward/adjoint poroelasticity solves, that is independent of the parameter dimension. We apply our methodology to a test case for a municipal well in Mesquite, Nevada, in which InSAR and GPS surface deformation data are available. We solve problems with up to 320,824 state variable degrees of freedom (DOFs) and 16,896 parameter DOFs. A consistent treatment of noise level is employed so that the aquifer characterization result does not depend on the pixel spacing of surface deformation data. Our results show that the use of InSAR data significantly improves characterization of lateral aquifer heterogeneity, and the InSAR-based aquifer characterization recovers complex lateral displacement trends observed by independent daily GPS measurements.

54 ENVIRONMENTAL SCIENCES↗

Multiphysics coupling plan

In this chapter, multiphysics coupling simulations of nuclear reactor systems are reviewed. On the one hand, the mainstream methods of multiphysics coupling are demonstrated. The fundamental theory and coupling scheme of operator splitting methods, Jacobian-free Newton–Krylov methods, and approximate block Newton methods are summarized and presented. On the other hand, some significant works on neutronic and thermal-hydraulic codes coupling, and large research project, including NURESAFE European project, Multiphysics Object-Oriented Simulation Environment plan, and Consortium for the Advanced Simulation of Light Water Reactors project, are reviewed. This chapter helps the readers have a better understanding on the worldwide current status of multiphysics coupling research.

Gui, Miao↗

Randomized Preconditioned Solvers for Strong Constraint 4D-Var Data Assimilation

The Strong Constraint 4D Variational (SC-4DVAR) data assimilation method is widely used in climate and weather applications. SC-4DVAR involves solving a minimization problem to compute the maximum a posteriori estimate, which we tackle using the Gauss-Newton method. The computation of the descent direction is expensive since it involves the solution of a large-scale and potentially ill-conditioned linear system, solved using the preconditioned conjugate gradient (PCG) method. Here, to address this cost, we efficiently construct scalable preconditioners using three different randomization techniques, which all rely on a certain low-rank structure involving the Gauss-Newton Hessian. The proposed techniques come with theoretical guarantees on the condition number, and at the same time, are amenable to parallelization. We also develop an adaptive approach to estimate the sketch size and choose between the reuse or recomputation of the preconditioner. We demonstrate the performance and effectiveness of our methodology on two representative model problems—the Burgers and barotropic vorticity equation—showing a drastic reduction in both the number of PCG iterations and the number of Gauss-Newton Hessian products after including the preconditioner construction cost.

Gauss-Newton↗

Time-discretization of a plasma-neutral MHD model with a semi-implicit leapfrog algorithm

The semi-implicit leapfrog time-discretization is a workhorse algorithm for initial-value MHD codes to bridge between vastly separated time scales. Inclusion of atomic interactions with neutrals breaks the functional structure of the MHD equations that exploited by the leapfrog. In this work, we address how to best integrate atomic physics into the semi-implicit leapfrog. Following the Crank-Nicolson method, one approach is to time-center the atomic interactions in the linear solver and use a Newton method to include the nonlinear contributions. Alternatively, another family of methods are based on operator-splitting the terms associated with the atomic interactions using a Strang-splitting technique. These methods naturally break equations into constituent ODE and PDE parts and preserve the structure exploited by the semi-implicit leapfrog. We study the accuracy and efficiency of these methods through a battery of 0D and 1D cases and show that a second-order-in-time Douglas-Rachford inspired coupling between the ODE and PDE advances is effective in reducing the time-discretization error to be comparable to that of Crank-Nicolson with Newton iteration of the nonlinear terms. Splitting ODE and PDE parts results in independent matrix solves for each field which reduces the computational cost considerably and provides parallelization over species relative to Crank-Nicolson.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stability sensitivity analysis for the aeroelastic optimization of a helicopter rotor

A sensitivity study of blade stability in forward flight for a hingeless rotor with respect to structural design variables is carried out using a direct analytical method. Structural design variables include nonstructural mass distribution (spanwise and chordwise), chordwise offset of center of gravity, and blade bending stiffnesses (flap, lag and torsion). The formulation for blade steady response is based on a finite element method in space and time. The vehicle trim and blade steady response are calculated iteratively as one coupled solution using a modified Newton method. Eigenvalues corresponding to different blade modes are calculated using Floquet transition matrix theory. The formulation for derivatives of the eigenvalues with respect to design variables is implemented using a direct analytical approach (chain rule differentiation), and constitutes an integral part of the regular stability analysis. The stability sensitivity derivatives were obtained at a fraction of computation time compared to the frequently adopted finite difference method. A parametric study showed that nonstructural mass and chordwise cg offset of outboarad elements, and lag bending stiffness of inboard elements, have powerful influence on blade stability.

Lim, Joon W.↗