Exasim: Generating discontinuous Galerkin codes for numerical solutions of partial differential equations on graphics processors
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97 MATHEMATICS AND COMPUTING↗
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Results for “numerical mathematics”
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Computational Physics Overview [Slides]
Computational physics is an important part of the overall investment in National Security Science at LANL. Computational physics is the study and implementation of numerical analysis to solve problems in physics for which a quantitative theory already exists. Historically, computational physics was the first application of modern computers in science. There are three key elements to computational physics: mathematical models of physical phenomena and conservation equations, computer codes that implement these models, and computer platforms that execute the code instructions and manipulate the data.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
Theory and Implementation of the Spectacular Nonlinear Viscoelastic Constitutive Model
This report is a comprehensive guide to the nonlinear viscoelastic Spectacular model, which is an isotropic, thermo-rheologically simple constitutive model for glass-forming materials, such as amorphous polymers. Spectacular is intermediate in complexity to the previous PEC and SPEC models (Potential Energy Clock and Simplified Potential Energy Clock models, respectively). The model form consists of two parts: a Helmholtz free energy functional and a nonlinear material clock that controls the rate of viscoelastic relaxation. The Helmholtz free energy is derived from a series expansion about a reference state. Expressions for the stress and entropy functionals are derived from the Helmholtz free energy following the Rational Mechanics approach. The material clock depends on a simplified expression for the potential energy, which itself is a functional of the temperature and strain histories. This report describes the thermo-mechanical theory of Spectacular, the numerical methods for time-integrating the model, model verification for its implementation in LAMÉ, a user guide for its implementation in LAMÉ, and ideas for future work. A number of appendices provide supplementary mathematical details and a description of the procedure used to derive the simplified potential energy from the full expression for the potential energy. The goal of this report is create a convenient point-of-entry for engineers who wish to learn more about Spectacular, but also to serve as a reference manual for advanced users of the model.
36 MATERIALS SCIENCE↗
Plate motion and the secular shift of the mean pole
The global plate motion indicates that changes in the products of inertia of the earth due to tectonic plate movement may provide a secular shift of the mean pole. A mathematical procedure for calculating this shift based on the plate theory is presented. Explicit expressions were obtained for the dependence of the secular polar shift on the dimensions and locations of the plate boundaries. Numerical results show that the secular motion of the mean pole is 0.0002 sec/year in the direction of 67 W. Hence, it is deduced that the influence of the plate motion on the secular polar shift may account for 10% of the observed value.
Liu, H.↗
Analysis of the interaction of a weak normal shock wave with a turbulent boundary layer
The method of matched asymptotic expansions is used to analyze the interaction of a normal shock wave with an unseparated turbulent boundary layer on a flat surface at transonic speeds. The theory leads to a three-layer description of the interaction in the double limit of Reynolds number approaching infinity and Mach number approaching unity. The interaction involves an outer, inviscid rotational layer, a constant shear-stress wall layer, and a blending region between them. The pressure distribution is obtained from a numerical solution of the outer-layer equations by a mixed-flow relaxation procedure. An analytic solution for the skin friction is determined from the inner-layer equations. The significance of the mathematical model is discussed with reference to existing experimental data.
Melnik, R. E.↗
Unsteady two dimensional airloads acting on oscillating thin airfoils in subsonic ventilated wind tunnels
The numerical calculation of unsteady two dimensional airloads which act upon thin airfoils in subsonic ventilated wind tunnels was studied. Neglecting certain quadrature errors, Bland's collocation method is rigorously proved to converge to the mathematically exact solution of Bland's integral equation, and a three way equivalence was established between collocation, Galerkin's method and least squares whenever the collocation points are chosen to be the nodes of the quadrature rule used for Galerkin's method. A computer program displayed convergence with respect to the number of pressure basis functions employed, and agreement with known special cases was demonstrated. Results are obtained for the combined effects of wind tunnel wall ventilation and wind tunnel depth to airfoil chord ratio, and for acoustic resonance between the airfoil and wind tunnel walls. A boundary condition is proposed for permeable walls through which mass flow rate is proportional to pressure jump.
Fromme, J.↗
The disturbance flow field produced by an evolving vortex
The flow field of a vortex in a viscous shear flow is found by constructing a uniformly valid asymptotic expansion consisting of an inner solution field represented, to lowest order, by a two dimensional, nonliner, inviscid Stuart vortex and an outer solution field represented, to lowest order, by either a two dimensional parallel or self similar viscous flow. The technique involves scaling both the transverse and streamwise coordinates in the vicinity of the vortex as well as allowing for a slow variation of the outer viscous flow. Criteria are established for both the size of the vortical structure and proximity to the boundary surfaces. The composite solution is a consistent mathematical picture of the flow field at a fixed streamwise location as the vortical structure evolves past this point. Such a formulation is also useful in the specification of boundary or initial conditions in numerical fluid dynamic calculations, where an inconsistent setting of these conditions leads to spurious results for rather long computation times.
Gatski, T. B.↗
Predictive thermal-vacuum modeling by variable coefficients
In computer-assisted thermal-vacuum testing, an accurate mathematical thermal model is necessary. This model can indicate what effect a given change in control temperature will produce on the test article. A three-node thermal model is used to illustrate some numerical methods for increasing the accuracy by generating more accurate coefficients for the model.
Chuvala, J. T.↗
Determination of elastic stresses in gas-turbine disks
A method is presented for the calculation of elastic stresses in symmetrical disks typical of those of a high-temperature gas turbine. The method is essentially a finite-difference solution of the equilibrium and compatibility equations for elastic stresses in a symmetrical disk. Account can be taken of point-to-point variations in disk thickness, in temperature, in elastic modulus, in coefficient of thermal expansion, in material density, and in Poisson's ratio. No numerical integration or trial-and-error procedures are involved and the computations can be performed in rapid and routine fashion by nontechnical computers with little engineering supervision. Checks on problems for which exact mathematical solutions are known indicate that the method yields results of high accuracy. Illustrative examples are presented to show the manner of treating solid disks, disks with central holes, and disks constructed either of a single material or two or more welded materials. The effect of shrink fitting is taken into account by a very simple device.
Manson, S S↗
An Automated Method to Compute Orbital Re-Entry Trajectories with Heating Constraints
Determining how to properly manipulate the controls of a re-entering re-usable launch vehicle (RLV) so that it is able to safely return to Earth and land involves the solution of a two-point boundary value problem (TPBVP). This problem, which can be quite difficult, is traditionally solved on the ground prior to flight. If necessary, a nearly unlimited amount of time is available to find the "best" solution using a variety of trajectory design and optimization tools. The role of entry guidance during flight is to follow the pre-determined reference solution while correcting for any errors encountered along the way. This guidance method is both highly reliable and very efficient in terms of onboard computer resources. There is a growing interest in a style of entry guidance that places the responsibility of solving the TPBVP in the actual entry guidance flight software. Here there is very limited computer time. The powerful, but finicky, mathematical tools used by trajectory designers on the ground cannot in general be made to do the job. Nonconvergence or slow convergence can result in disaster. The challenges of designing such an algorithm are numerous and difficult. Yet the payoff (in the form of decreased operational costs and increased safety) can be substantial. This paper presents an algorithm that incorporates features of both types of guidance strategies. It takes an initial RLV orbital re-entry state and finds a trajectory that will safely transport the vehicle to a Terminal Area Energy Management (TAEM) region. During actual flight, the computed trajectory is used as the reference to be flown by a more traditional guidance method.
Zimmerman, Curtis↗
Numerical simulation of dynamics of brushless dc motors for aerospace and other applications. Volume 1: Model development and applications, part A
The development, fabrication and evaluation of a prototype electromechanical actuator (EMA) is discussed. Application of the EMA as a motor for control surfaces in aerospace flight is examined. A mathematical model of the EMA is developed for design optimization. Nonlinearities which complicate the mathematical model are discussed. The dynamics of the EMA from the underlying physical principles are determined and a discussion of similating the control logic by means of equivalent boolean expressions is presented.
Demerdash, N. A. O.↗
Towards Use of Mixed Precision in ECP Math Libraries
The use of multiple types of precision in mathematical software has the potential to increase its performance on new heterogeneous architectures. The xSDK project focuses both on the investigation and development of multiprecision algorithms as well as their inclusion into xSDK member libraries. This report summarizes current efforts on including and/or using mixed precision capabilities in the math libraries Ginkgo, heFFTe, hypre, MAGMA, PETSc/TAO, SLATE, SuperLU, and Trilinos, including KokkosKernels. It contains both numerical results from libraries that already provide mixed precision capabilities, as well as descriptions of the strategies to incorporate multiprecision into established libraries.
97 MATHEMATICS AND COMPUTING↗
An adaptive stochastic sequential quadratic programming with differentiable exact augmented lagrangians
In this study, we consider solving nonlinear optimization problems with a stochastic objective and deterministic equality constraints. We assume for the objective that its evaluation, gradient, and Hessian are inaccessible, while one can compute their stochastic estimates by, for example, subsampling. We propose a stochastic algorithm based on sequential quadratic programming (SQP) that uses a differentiable exact augmented Lagrangian as the merit function. To motivate our algorithm design, we first revisit and simplify an old SQP method Lucidi developed for solving deterministic problems, which serves as the skeleton of our stochastic algorithm. Based on the simplified deterministic algorithm, we then propose a non-adaptive SQP for dealing with stochastic objective, where the gradient and Hessian are replaced by stochastic estimates but the stepsizes are deterministic and prespecified. Finally, we incorporate a recent stochastic line search procedure Paquette and Scheinberg into the non-adaptive stochastic SQP to adaptively select the random stepsizes, which leads to an adaptive stochastic SQP. The global "almost sure" convergence for both non-adaptive and adaptive SQP methods is established. Numerical experiments on nonlinear problems in CUTEst test set demonstrate the superiority of the adaptive algorithm.
97 MATHEMATICS AND COMPUTING↗
Solving inverse problems in stochastic models using deep neural networks and adversarial training
Inverse problems associated with stochastic models constitute a significant portion of scientific and engineering applications. In such cases the unknown quantities are distributions. The applicability of traditional methods is limited because of their demanding assumptions or prohibitive computational consumption; for example, maximum likelihood methods require closed-form density functions, and Markov Chain Monte Carlo needs a large number of simulations. We propose a new method that estimates the unknown distribution by matching the statistical properties between observed and simulated random processes. We leverage the expressive power of neural networks to approximate the unknown distribution and use a discriminative neural network for computing the statistical discrepancies between the observed and simulated random processes. Here we demonstrated numerically that the proposed methods can estimate both the model parameters and learn complicated unknown distributions.
42 ENGINEERING↗
Jas4pp — A data-analysis framework for physics and detector studies
This paper describes the Jas4pp framework for exploring physics cases and for detector-performance studies of future particle collision experiments. Jas4pp is a multi-platform Java program for numeric calculations, scientific visualization in 2D and 3D, storing data in various file formats and displaying collision events and detector geometries. It also includes complex data-analysis algorithms for function minimization, regression analysis, event reconstruction (such as jet reconstruction), limit settings and other libraries widely used in particle physics. The framework can be used with several scripting languages, such as Python/Jython, Groovy and JShell. Several benchmark tests discussed in the paper illustrate significant improvements in the performance of the Groovy and JShell scripting languages compared to the standard Python implementation in C. Furthermore, the improvements for numeric computations in Java are attributed to recent enhancements in the Java Virtual Machine.
97 MATHEMATICS AND COMPUTING↗
Weighted Composition Operators for Learning Nonlinear Dynamics
Operator theoretic methods in dynamical system have been dominated by the use of Koopman operators and their continuous time counterparts, such as Koopman Generators and Liouville Operators. The advantage gained from their use primarily stems from the ability to extract subspaces and eigenfunctions within a space of observables that are invariant with respect to the Koopman operator over that space. When this occurs, a dynamic mode decomposition of the systems state provides a linear model for the dynamical system. Not all Koopman operators have eigenfunctions that may be exploited in this manner. However, the framework can still be leveraged for approximations using other operators. In this setting, we present a different operator for the study of dynamical systems, the weighted composition operator. These operators are compact for a wide range of dynamics and spaces, and through their interactions with occupation kernels and vector valued kernels, they admit an estimation of the underlying dynamics. Here, this manuscript presents a new algorithm for the data driven study of dynamical systems from data, and also provides two numerical experiments where convergence is achieved as a proof of concept.
97 MATHEMATICS AND COMPUTING↗
Efficient hybrid explicit-implicit learning for multiscale problems
Splitting method is a powerful method to handle application problems by splitting physics, scales, domain, and so on. Many splitting algorithms have been designed for efficient temporal discretization. Here, in this paper, our goal is to use temporal splitting concepts in designing machine learning algorithms and, at the same time, help splitting algorithms by incorporating data and speeding them up. We propose a machine learning assisted splitting scheme which improves the efficiency of the scheme meanwhile preserves the accuracy. We consider a recently introduced multiscale splitting algorithms, where the multiscale problem is solved on a coarse grid. To approximate the dynamics, only a few degrees of freedom are solved implicitly, while others explicitly. This splitting concept allows identifying degrees of freedom that need implicit treatment. In this paper, we use this splitting concept in machine learning and propose several strategies. First, the implicit part of the solution can be learned as it is more difficult to solve, while the explicit part can be computed. This provides a speed-up and data incorporation for splitting approaches. Secondly, one can design a hybrid neural network architecture because handling explicit parts requires much fewer communications among neurons and can be done efficiently. Thirdly, one can solve the coarse grid component via PDEs or other approximation methods and construct simpler neural networks for the explicit part of the solutions. We discuss these options and implement one of them by interpreting it as a machine translation task. This interpretation of the splitting scheme successfully enables us using the Transformer since it can perform model reduction for multiple time series and learn the connection between them. We also find that the splitting scheme is a great platform to predict the coarse solution with insufficient information of the target model: the target problem is partially given and we need to solve it through a known problem which approximates the target. Our machine learning model can incorporate and encode the given information from two different problems and then solve the target problems. We conduct four numerical examples and the results show that our method is stable and accurate.
97 MATHEMATICS AND COMPUTING↗
Local Lagrangian reduced-order modeling for the Rayleigh-Taylor instability by solution manifold decomposition
The Rayleigh-Taylor instability is a classical hydrodynamic instability of great interest in various disciplines of science and engineering, including astrophysics, atmospheric sciences and climate, geophysics, and fusion energy. Analytical methods cannot be applied to explain the long-time behavior of the Rayleigh-Taylor instability, and therefore, numerical simulation of the full problem is required. However, in order to capture the growth of amplitude of perturbations accurately, both the spatial and temporal discretizations need to be extremely fine for traditional numerical methods, and long-time simulation may become prohibitively expensive. In this paper, we propose efficient reduced order model techniques to accelerate the simulation of the Rayleigh-Taylor instability in compressible gas dynamics. Here, we introduce a general framework for decomposing the solution manifold to construct the temporal domain partition and temporally-local reduced order model construction with varying Atwood number. We propose two practical approaches in this framework, namely decomposition by physical time and by penetration distance. Numerical results are presented to examine the performance of the proposed approaches.
97 MATHEMATICS AND COMPUTING↗