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At least 415 records · Page 23

Time-Accurate Solutions of Incompressible Navier-Stokes Equations for Potential Turbopump Applications

Two numerical procedures, one based on artificial compressibility method and the other pressure projection method, are outlined for obtaining time-accurate solutions of the incompressible Navier-Stokes equations. The performance of the two method are compared by obtaining unsteady solutions for the evolution of twin vortices behind a at plate. Calculated results are compared with experimental and other numerical results. For an un- steady ow which requires small physical time step, pressure projection method was found to be computationally efficient since it does not require any subiterations procedure. It was observed that the artificial compressibility method requires a fast convergence scheme at each physical time step in order to satisfy incompressibility condition. This was obtained by using a GMRES-ILU(0) solver in our computations. When a line-relaxation scheme was used, the time accuracy was degraded and time-accurate computations became very expensive.

Kiris, Cetin↗

A new field solver for modeling of relativistic particle-laser interactions using the particle-in-cell algorithm

A customized finite-difference field solver for the particle-in-cell (PIC) algorithm that provides higher fidelity for wave-particle interactions in intense electromagnetic waves is presented. In many problems of interest, particles with relativistic energies interact with intense electromagnetic fields that have phase velocities near the speed of light. Numerical errors can arise due to (1) dispersion errors in the phase velocity of the wave, (2) the staggering in time between the electric and magnetic fields and between particle velocity and position and (3) errors in the time derivative in the momentum advance. Errors of the first two kinds are analyzed in detail. It is shown that by using field solvers with different -space operators in Faraday’s and Ampere’s law, the dispersion errors and magnetic field time-staggering errors in the particle pusher can be simultaneously removed for electromagnetic waves moving primarily in a specific direction. Here, the new algorithm was implemented into Osiris by using customized higher-order finite-difference operators. Schemes using the proposed solver in combination with different particle pushers are compared through PIC simulation. It is shown that the use of the new algorithm, together with an analytic particle pusher (assuming constant fields over a time step), can lead to accurate modeling of the motion of a single electron in an intense laser field with normalized vector potentials, eA / mc 2 , exceeding for typical cell sizes and time steps.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nonlinear vibrations of rectangular plates.

A finite-difference method is developed to determine the large amplitude dynamic responses of thin elastic plates subjected to uniform pressure pulse-type loads. Four different sets of boundary conditions are considered. Some specific problems are solved. The results are compared with approximate solutions obtained by Yamaki (1961). The numerical method presented provides an accurate and efficient approximate solution to the problem, and should be useful as a check on other approximate methods. The grid-size and the time-step necessary for obtaining numerical stability depend on the particular problem. For many cases the method converges rapidly and a rather large grid-size and time-step is adequate.

Bayles, D. J.↗

Personal computer study of finite-difference methods for the transonic small disturbance equation

Calculation of unsteady flow phenomena requires careful attention to the numerical treatment of the governing partial differential equations. The personal computer provides a convenient and useful tool for the development of meshes, algorithms, and boundary conditions needed to provide time accurate solution of these equations. The one-dimensional equation considered provides a suitable model for the study of wave propagation in the equations of transonic small disturbance potential flow. Numerical results for effects of mesh size, extent, and stretching, time step size, and choice of far-field boundary conditions are presented. Analysis of the discretized model problem supports these numerical results. Guidelines for suitable mesh and time step choices are given.

Bland, Samuel R.↗

Personal computer study of finite-difference methods for the transonic small disturbance equation

Calculation of unsteady flow phenomena requires careful attention to the numerical treatment to the governing partial differential equations. The personal computer provides a convenient and useful tool for the development of meshes, algorithms, and boundary conditions needed to provide time accurate solution of these equations. The one-dimensional equation considered provides a suitable model for the study of wave propagation in the equations of transonic small disturbance potential flow. Numerical results for effects of mesh size, extent, and stretching, time step size, and choice of far-field boundary conditions are presented. Analysis of the discretized model problem supports these numerical results. Guidelines for suitable mesh and time step choices are given.

Bland, Samuel R.↗

Spatial and temporal adaptive procedures for the unsteady aerodynamic analysis of airfoils using unstructured meshes

An algorithm which combines spatial and temporal adaption for the time integration of the two dimensional Euler equations on unstructured meshes of triangles is presented. Spatial adaption involves mesh enrichment to add elements in high gradient regions of the flow and mesh coarsening to remove elements where they are no longer needed. Temporal adaption is a time accurate, local time stepping procedure which integrates the flow equations in each cell according to the local numerical stability constraint. The flow solver utilizes a four stage Runge-Kutta time integration scheme with an upwind flux-split spatial discretization. Results obtained using spatial and temporal adaption indicate that highly accurate solutions can be obtained with a significant savings of computing time over global time stepping.

Hooker, John R.↗

High-Order Space-Time Methods for Conservation Laws

Current high-order methods such as discontinuous Galerkin and/or flux reconstruction can provide effective discretization for the spatial derivatives. Together with a time discretization, such methods result in either too small a time step size in the case of an explicit scheme or a very large system in the case of an implicit one. To tackle these problems, two new high-order space-time schemes for conservation laws are introduced: the first is explicit and the second, implicit. The explicit method here, also called the moment scheme, achieves a Courant-Friedrichs-Lewy (CFL) condition of 1 for the case of one-spatial dimension regardless of the degree of the polynomial approximation. (For standard explicit methods, if the spatial approximation is of degree p, then the time step sizes are typically proportional to 1/p(exp 2)). Fourier analyses for the one and two-dimensional cases are carried out. The property of super accuracy (or super convergence) is discussed. The implicit method is a simplified but optimal version of the discontinuous Galerkin scheme applied to time. It reduces to a collocation implicit Runge-Kutta (RK) method for ordinary differential equations (ODE) called Radau IIA. The explicit and implicit schemes are closely related since they employ the same intermediate time levels, and the former can serve as a key building block in an iterative procedure for the latter. A limiting technique for the piecewise linear scheme is also discussed. The technique can suppress oscillations near a discontinuity while preserving accuracy near extrema. Preliminary numerical results are shown

Huynh, H. T.↗

A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the formation of DNA damage and double-strand breaks.

Plante, Ianik↗

Concurrent and vectorized mixed time, explicit nonlinear structural dynamics algorithms

A nonlinear structural dynamics program with an element library that exploits parallel processing is described. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program with explicit time integration and different time steps in different parts of the mesh. The program uses an element group scheme, which, as a by-product, also provides an automatic scheme for assigning different time steps to different parts of the mesh. The program has been tested on the Alliant FX/8; it shows a fivefold improvement in speed over compiler optimization.

Belytschko, Ted↗

Spatial and temporal adaptive procedures for the unsteady aerodynamic analysis of airfoils using unstructured meshes

An algorithm which combines spatial and temporal adaption for the time integration of the two-dimensional Euler equations on unstructured meshes of triangles is presented. Spatial adaption involves mesh enrichment to add elements in high gradient regions of the flow and mesh coarsening to remove elements where they are no longer needed. Temporal adaption is a time accurate, local time stepping procedure which integrates the flow equations in each cell according to the local numerical stability constraint. The flow solver utilizes a four-stage Runge-Kutta time integration scheme with an upwind flux-split spatial discretization. Results obtained using spatial and temporal adaption indicate that highly accurate solutions can be obtained with a significant savings of computing time over global time stepping.

Hooker, John R.↗

Sensitivity of Age-of-Air Calculations to the Choice of Advection Scheme

The age of air has recently emerged as a diagnostic of atmospheric transport unaffected by chemical parameterizations, and the features in the age distributions computed in models have been interpreted in terms of the models' large-scale circulation field. This study shows, however, that in addition to the simulated large-scale circulation, three-dimensional age calculations can also be affected by the choice of advection scheme employed in solving the tracer continuity equation, Specifically, using the 3.0deg latitude X 3.6deg longitude and 40 vertical level version of the Geophysical Fluid Dynamics Laboratory SKYHI GCM and six online transport schemes ranging from Eulerian through semi-Lagrangian to fully Lagrangian, it will be demonstrated that the oldest ages are obtained using the nondiffusive centered-difference schemes while the youngest ages are computed with a semi-Lagrangian transport (SLT) scheme. The centered- difference schemes are capable of producing ages older than 10 years in the mesosphere, thus eliminating the "young bias" found in previous age-of-air calculations. At this stage, only limited intuitive explanations can be advanced for this sensitivity of age-of-air calculations to the choice of advection scheme, In particular, age distributions computed online with the National Center for Atmospheric Research Community Climate Model (MACCM3) using different varieties of the SLT scheme are substantially older than the SKYHI SLT distribution. The different varieties, including a noninterpolating-in-the-vertical version (which is essentially centered-difference in the vertical), also produce a narrower range of age distributions than the suite of advection schemes employed in the SKYHI model. While additional MACCM3 experiments with a wider range of schemes would be necessary to provide more definitive insights, the older and less variable MACCM3 age distributions can plausibly be interpreted as being due to the semi-implicit semi-Lagrangian dynamics employed in the MACCM3. This type of dynamical core (employed with a 60-min time step) is likely to reduce SLT's interpolation errors that are compounded by the short-term variability characteristic of the explicit centered-difference dynamics employed in the SKYHI model (time step of 3 min). In the extreme case of a very slowly varying circulation, the choice of advection scheme has no effect on two-dimensional (latitude-height) age-of-air calculations, owing to the smooth nature of the transport circulation in 2D models. These results suggest that nondiffusive schemes may be the preferred choice for multiyear simulations of tracers not overly sensitive to the requirement of monotonicity (this category includes many greenhouse gases). At the same time, age-of-air calculations offer a simple quantitative diagnostic of a scheme's long-term diffusive properties and may help in the evaluation of dynamical cores in multiyear integrations. On the other hand, the sensitivity of the computed ages to the model numerics calls for caution in using age of air as a diagnostic of a GCM's large-scale circulation field.

Eluszkiewicz, Janusz↗

Fast Solution of Fully Implicit Runge--Kutta and Discontinuous Galerkin in Time for Numerical PDEs, Part II: Nonlinearities and DAEs

Fully implicit Runge--Kutta (IRK) methods have many desirable accuracy and stability properties as time integration schemes, but high-order IRK methods are not commonly used in practice with large-scale numerical PDEs because of the difficulty of solving the stage equations. This paper introduces a theoretical and algorithmic framework for solving the nonlinear equations that arise from IRK methods (and discontinuous Galerkin discretizations in time) applied to nonlinear numerical PDEs, including PDEs with algebraic constraints. Several new linearizations of the nonlinear IRK equations are developed, offering faster and more robust convergence than the often-considered simplified Newton, as well as an effective preconditioner for the true Jacobian if exact Newton iterations are desired. Inverting these linearizations requires solving a set of block 2 x 2 systems. Under quite general assumptions, it is proven that the preconditioned 2 x 2 operator's condition number is bounded by a small constant close to one, independent of the spatial discretization, spatial mesh, and time step, and with only weak dependence on the number of stages or integration accuracy. Moreover, the new method is built using the same preconditioners needed for backward Euler-type time stepping schemes, so can be readily added to existing codes. The new methods are applied to several challenging fluid flow problems, including the compressible Euler and Navier--Stokes equations, and the vorticity-streamfunction formulation of the incompressible Euler and Navier--Stokes equations. Up to 10th-order accuracy is demonstrated using Gauss IRK, while in all cases fourth-order Gauss IRK requires roughly half the number of preconditioner applications as required by standard Singly diagonally implicit Runge--Kutta methods.

97 MATHEMATICS AND COMPUTING↗

Toucan: A performance portable, scalable implementation of the DECA algorithm

In the field of additive manufacturing (AM), cellular automata (CA) is extensively used to simulate microstructural evolution during solidification. However, while traditional CA approaches are relatively fast, they still require a substantial number of time steps, are limited to moderate volumes, and are relatively difficult to improve through parallelism due to the highly localized nature of the solidification front. Here, to address these issues of time to solution and load balancing, we introduce Toucan, a parallel, performance-portable, and scalable code written in C++ with the Kokkos library that leverages the discrete event inspired cellular automata (DECA) algorithm to perform parallel-in-time (PinT) grain growth simulations. Toucan effectively mitigates load balancing issues by distributing the computational workload more evenly across processors, enhancing scalability and efficiency. We conduct both strong and weak scaling studies on up to 64 GPUs on the Frontier supercomputer, demonstrating that Toucan significantly outperforms the current state-of-the-art, time-stepped CA code, ExaCA, on both single and multi-GPU simulations. Even in AM-specific weak scaling scenarios, Toucan maintains near-ideal scaling, in contrast to the linear increase observed with ExaCA due to the moving laser raster pattern. This study highlights Toucan’s potential to transform microstructural simulations in AM by radically improving both efficiency and scalability over existing methods.

36 MATERIALS SCIENCE↗

Performance and Accuracy Implications of Parallel Split Physics-Dynamics Coupling in the Energy Exascale Earth System Atmosphere Model

Simultaneous calculation of atmospheric processes is faster than calculating processes one at a time. This type of parallelism is beneficial or perhaps even necessary to provide good performance on modern supercomputers, which achieve faster performance through increased processor count rather than improved clock speed. The scalability of the Energy Exascale Earth System Model (E3SM) Atmosphere Model (EAM) is limited by the fluid dynamics which scales up to the number of mesh cells in the global mesh. In contrast, the suite of physics parameterizations in EAM is scalable up to the total number of physics columns, which is an order of magnitude greater than the number of mesh cells. A proposed solution to unlocking the greater potential performance from the physics suite is to solve the physics and dynamics in parallel. This work represents a first attempt at parallel splitting of the grid-scale fluid dynamics model and the subgrid-scale physics parameterizations in a global atmosphere model. We will demonstrate that switching to parallel physics-dynamics coupling extends the scalability of the EAM to up to 3 times the previous peak scalability limit and is up to 20% faster than the sequentially split coupling at the highest core counts and the same time step. Decadal simulations of both coupling approaches show very little impact to the model climate. This improved performance does not come without drawbacks, however. Parallel splitting requires a shorter time step and other modifications which largely offset performance gains. A mass fixer is required for conservation. Techniques for mitigating these issues are also discussed.

97 MATHEMATICS AND COMPUTING↗

Numerical calculations of velocity and pressure distribution around oscillating airfoils

An analytical procedure based on the Navier-Stokes equations was developed for analyzing and representing properties of unsteady viscous flow around oscillating obstacles. A variational formulation of the vorticity transport equation was discretized in finite element form and integrated numerically. At each time step of the numerical integration, the velocity field around the obstacle was determined for the instantaneous vorticity distribution from the finite element solution of Poisson's equation. The time-dependent boundary conditions around the oscillating obstacle were introduced as external constraints, using the Lagrangian Multiplier Technique, at each time step of the numerical integration. The procedure was then applied for determining pressures around obstacles oscillating in unsteady flow. The obtained results for a cylinder and an airfoil were illustrated in the form of streamlines and vorticity and pressure distributions.

Bratanow, T.↗

The Root Cause of the Overheating Problem

Previously we identified the receding flow, where two fluid streams recede from each other, as an open numerical problem, because all well-known numerical fluxes give an anomalous temperature rise, thus called the overheating problem. This phenomenon, although presented in several textbooks, and many previous publications, has scarcely been satisfactorily addressed and the root cause of the overheating problem not well understood. We found that this temperature rise was solely connected to entropy rise and proposed to use the method of characteristics to eradicate the problem. However, the root cause of the entropy production was still unclear. In the present study, we identify the cause of this problem: the entropy rise is rooted in the pressure flux in a finite volume formulation and is implanted at the first time step. It is found theoretically inevitable for all existing numerical flux schemes used in the finite volume setting, as confirmed by numerical tests. This difficulty cannot be eliminated by manipulating time step, grid size, spatial accuracy, etc, although the rate of overheating depends on the flux scheme used. Finally, we incorporate the entropy transport equation, in place of the energy equation, to ensure preservation of entropy, thus correcting this temperature anomaly. Its applicability is demonstrated for some relevant 1D and 2D problems. Thus, the present study validates that the entropy generated ab initio is the genesis of the overheating problem.

Liou, Meng-Sing↗

Addressing key physics problems in high-energy-density plasmas with a novel kinetic simulation capability

Many important physical processes in inertial confinement fusion (ICF) and dense Z-pinch (DZP) experiments require a kinetic (velocity-space-dependent) description. Conventional particle-in-cell (PIC) methods are poorly suited for high-energy-density (HED) plasmas, due to restrictive time-step constraints and the inability to conserve energy. In a previous LDRD (21-FS-048), we demonstrated that a fully implicit PIC formulation overcomes these limitations: it conserves energy even when coupled with Coulomb collision models and can be solved efficiently with large grid cells and large time steps. Thus, it is feasible to use this method to study kinetic effects in ICF and DZP plasmas on hydro-like time and spatial scales. In this follow-on LDRD, we advanced this methodology into a high-fidelity tool for production-scale simulations and used it to answer key questions relevant to ICF and DZP experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Water Withdrawal and Consumption Data from McManamay et al. 2020

This dataset contains estimations of water withdrawal and consumption (for electricity production only) at the county resolution on an annual time step from 1950 to 2016. Water withdrawal and consumption for electricity production are also provided at the electric generating unit resolution. Additionally, water use for irrigation was calculated at a daily time step. Data are associated with McManamay et al. 2020 in WRR.

13 HYDRO ENERGY↗