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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Benchmarking of massively parallel phase-field codes for directional solidification

We present a detailed benchmark comparing two state-of-the-art phase-field implementations for simulating alloy solidification under experimentally relevant conditions. The study investigates the directional solidification of Al-3wt%Cu under high-velocity solidification conditions and SCN-0.46wt% camphor under microgravity conditions from National Aeronautics and Space Administration (NASA) DECLIC-DSI-R experiments. Both codes, one employing finite-difference discretization with uniform mesh and GPU-acceleration (GPU-PF) and the other one employing finite-element discretization with adaptive-mesh and CPU-parallelization (PRISMS-PF), solve the same quantitative phase-field formulation that incorporates an anti-trapping current for the solidification of dilute alloys. We evaluate the predictions of each code for dendritic morphology, primary spacing, and tip dynamics in both 2D and 3D, as well as their numerical convergence and computational performance. While existing benchmark problems have primarily focused on simplified or small-scale simulations, they do not reflect the computational and modeling challenges posed by employing experimentally relevant time and length scales. Our results provide a practical framework for assessing phase-field code performance as well as validating and facilitating their application in integrated computational materials engineering (ICME) workflows that require integration with realistic experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2014

How much can we learn from a merging cold front cluster? Insights from X-ray temperature and radio maps of A3667

The galaxy cluster A3667 is an ideal laboratory to study the plasma processes in the intracluster medium. High-resolution Chandra X-ray observations show a cold front in A3667. At radio wavelengths, A3667 reveals a double radio-relic feature in the outskirts of the cluster. These suggest multiple merger events in this cluster. In this paper, we analyze the substantial archival X-ray observations of A3667 from the Chandra X-ray Observatory and compare these with existing radio observations as well as state-of-the-art adaptive mesh refinement MHD cosmological simulations using Enzo. We have used two temperature map making techniques, weighted Voronoi tessellation and adaptive circular binning, to produce the high-resolution and largest field-of-view temperature maps of A3667. These high-fidelity temperature maps allow us to study the X-ray shocks in the cluster using a new two-dimensional shock-finding algorithm. We have also estimated the Mach numbers from the shocks inferred from previous ATCA radio observations. The combined shock statistics from the X-ray and radio data are in agreement with the shock statistics in a simulated MHD cluster. We have also studied the profiles of the thermodynamic properties across the cold front using ∼447 ks from the combined Chandra observations on A3667. Our results show that the stability of the cold front in A3667 can be attributed to the suppression of the thermal conduction across the cold front by a factor of ∼100-700 compared to the classical Spitzer value.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Numerical grid generation; Proceedings of the Symposium on Numerical Generation of Curvilinear Coordinate Systems and Their Use in the Numerical Solution of Partial Differential Equations, Nashville, TN, April 13-16, 1982

General curvilinear coordinate systems are considered along with the error induced by coordinate systems, basic differential models for coordinate generation, elliptic grid generation, conformal grid generation, algebraic grid generation, orthogonal grid generation, patched coordinate systems, and solid mechanics applications of boundary fitted coordinate systems. Attention is given to coordinate system control and adaptive meshes, the application of body conforming curvilinear grids for finite difference solution of external flow, the use of solution adaptive grids in solving partial differential equations, adaptive gridding for finite difference solutions to heat and mass transfer problems, and the application of curvilinear coordinate generation techniques to the computation of internal flows. Other topics explored are related to the solution of nonlinear water wave problems using boundary-fitted coordinate systems, the numerical modeling of estuarine hydrodynamics on a boundary-fitted coordinate system, and conformal grid generation for multielement airfoils.

Thompson, J. F.↗
DOE OSTI2017

Nyx

Nyx is a highly parallel, adaptive mesh, finite-volume N-body compressible hydrodynamics solver for cosmological simulations. Nyx code solves equations of compressible hydrodynamics on an adaptive grid hierarchy coupled with an N-body treatment of dark matter. The gas dynamics in Nyx uses a finite volume methodology on a set of 3-D Eulerian grids; dark matter is represented as discrete particles moving under the influence of gravity. Particles are evolved via a particle-mesh method, using Cloud-in-Cell deposition/interpolation scheme. Both baryonic and dark matter contribute to the gravitational field. In addition, Nyx includes physics needed to accurately model the intergalactic medium: in optically thin limit and assuming ionization equilibrium, the code calculates heating and cooling processes of the primordial-composition gas in an ionizing ultraviolet background radiation field. Additional physics capabilities are under development.

Sexton, Jean [Lawrence Berkeley National Lab. (LBN↗
NASA NTRS1990

Adaptive quadrilateral and triangular finite-element scheme for compressible flows

The development of an adaptive mesh refinement procedure for analyzing high-speed compressible flows using the finite-element method is described. This new adaptation procedure, which uses both quadrilateral and triangular elements, was implemented with two explicit finite-element algorithms - the two-step Taylor-Galerkin and the multistep Galerkin-Runge-Kutta schemes. A von Neumann stability analysis and a rotating 'cosine hill'problem demonstrate the instability of the Taylor-Galerkin scheme when coupled with the adaptation procedure. For the same adaptive refinement scheme, the Galerkin-Runge-Kutta procedure yields stable solutions within its explicit stability limit. The utility of this new adaptation procedure for the prediction of compressible flow features is illustrated for inviscid problems involving strong shock interactions at hypersonic speeds.

Ramakrishnan, R.↗
DOE OSTI2022

Conservative and Accurate Solution Transfer Between High-Order and Low-Order Refined Finite Element Spaces

Here, in this paper, we introduce general transfer operators between high-order and low-order refined finite element spaces that can be used to couple high-order and low-order simulations. Under natural restrictions on the low-order refined space we prove that both the high-to-low-order and low-to-high-order linear mappings are conservative, constant preserving, and high-order accurate. While the proof holds for affine geometries, numerical experiments indicate that the results hold for more general curved meshes. We present several numerical results confirming our analysis and demonstrate the utility of the new mappings in the context of adaptive mesh refinement and conservative multidiscretization coupling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Pressure and fluid-driven fracture propagation in porous media using an adaptive finite element phase field model

This work presents phase field fracture modeling in heterogeneous porous media. We develop robust and efficient numerical algorithms for pressure-driven and fluid-driven settings in which the focus relies on mesh adaptivity in order to save computational cost for large-scale 3D applications. In the fluid-driven framework, we solve for three unknowns pressure, displacements and phase field that are treated with a fixed-stress iteration in which the pressure and the displacement–phase-field system are decoupled. The latter subsystem is solved with a combined Newton approach employing a primal–dual active set method in order to account for crack irreversibility. Numerical examples for pressurized fractures and fluid filled fracture propagation in heterogeneous porous media demonstrate our developments. Finally in particular, mesh refinement allows us to perform systematic studies with respect to the spatial discretization parameter.

42 ENGINEERING↗
DOE OSTI2014

Adaptive h -refinement for reduced-order models: ADAPTIVE h -refinement for reduced-order models

Our work presents a method to adaptively refine reduced-order models a posteriori without requiring additional full-order-model solves. The technique is analogous to mesh-adaptive h-refinement: it enriches the reduced-basis space online by ‘splitting’ a given basis vector into several vectors with disjoint support. The splitting scheme is defined by a tree structure constructed offline via recursive k-means clustering of the state variables using snapshot data. This method identifies the vectors to split online using a dual-weighted-residual approach that aims to reduce error in an output quantity of interest. The resulting method generates a hierarchy of subspaces online without requiring large-scale operations or full-order-model solves. Furthermore, it enables the reduced-order model to satisfy any prescribed error tolerance regardless of its original fidelity, as a completely refined reduced-order model is mathematically equivalent to the original full-order model. Experiments on a parameterized inviscid Burgers equation highlight the ability of the method to capture phenomena (e.g., moving shocks) not contained in the span of the original reduced basis.

42 ENGINEERING↗
DOE OSTI2017

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid–structure interaction, and free surface flow: Part I

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes—wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries—and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid–structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier–Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau–Rayleigh instability in water ripple free surface flow. In conclusion, these last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid–structure interaction, and free surface flow: Part II

Here, in this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes—wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries—and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid–structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier–Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau–Rayleigh instability in water ripple free surface flow. In these last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

A point implicit unstructured grid solver for the Euler and Navier-Stokes equations

An upwind finite element technique that uses cell centered quantities and implicit and/or explicit time marching has been developed for computing hypersonic laminar viscous flows using adaptive unstructured triangular grids. A structured grid of quadrilaterals is laid out near the body surface. For inviscid flows the method is stable at Courant numbers of over 100,000. A first order basic scheme and a higher order flux corrected transport (FCT) scheme have been implemented. This technique has been applied to the problem of predicting type III and IV shock wave interactions on a cylinder, with a view of simulating the pressure and heating rate augmentation caused by an impinging shock on the leading edge of a cowl lip of an engine inlet. The predictions of wall pressure and heating rates compare very well with experimental data. The flow features are very distinctly captured with a sequence of adaptively generated grids. The adaptive mesh generator and the upwind Navier-Stokes solver are combined in a set of programs called LARCNESS, an acronym for Langley Adaptive Remeshing Code and Navier-Stokes Solver.

Thareja, Rajiv R.↗
NASA NTRS1992

Adaptive explicit and implicit finite element methods for transient thermal analysis

The application of adaptive finite element methods to the solution of transient heat conduction problems in two dimensions is investigated. The computational domain is represented by an unstructured assembly of linear triangular elements and the mesh adaptation is achieved by local regeneration of the grid, using an error estimation procedure coupled to an automatic triangular mesh generator. Two alternative solution procedures are considered. In the first procedure, the solution is advanced by explicit timestepping, with domain decomposition being used to improve the computational efficiency of the method. In the second procedure, an algorithm for constructing continuous lines which pass only once through each node of the mesh is employed. The lines are used as the basis of a fully implicit method, in which the equation system is solved by line relaxation using a block tridiagonal equation solver. The numerical performance of the two procedures is compared for the analysis of a problem involving a moving heat source applied to a convectively cooled cylindrical leading edge.

Probert, E. J.↗
NASA NTRS2008

Magnetotail Current Sheet Thinning and Magnetic Reconnection Dynamics in Global Modeling of Substorms

Magnetotail current sheet thinning and magnetic reconnection are key elements of magnetospheric substorms. We utilized the global MHD model BATS-R-US with Adaptive Mesh Refinement developed at the University of Michigan to investigate the formation and dynamic evolution of the magnetotail thin current sheet. The BATSRUS adaptive grid structure allows resolving magnetotail regions with increased current density up to ion kinetic scales. We investigated dynamics of magnetotail current sheet thinning in response to southwards IMF turning. Gradual slow current sheet thinning during the early growth phase become exponentially fast during the last few minutes prior to nightside reconnection onset. The later stage of current sheet thinning is accompanied by earthward flows and rapid suppression of normal magnetic field component $B-z$. Current sheet thinning set the stage for near-earth magnetic reconnection. In collisionless magnetospheric plasma, the primary mechanism controlling the dissipation in the vicinity of the reconnection site is non-gyrotropic effects with spatial scales comparable with the particle Larmor radius. One of the major challenges in global MHD modeling of the magnetotail magnetic reconnection is to reproduce fast reconnection rates typically observed in smallscale kinetic simulations. Bursts of fast reconnection cause fast magnetic field reconfiguration typical for magnetospheric substorms. To incorporate nongyritropic effects in diffusion regions we developed an algorithm to search for magnetotail reconnection sites, specifically where the magnetic field components perpendicular to the local current direction approaches zero and form an X-type configuration. Spatial scales of the diffusion region and magnitude of the reconnection electric field are calculated self-consistently using MHD plasma and field parameters in the vicinity of the reconnection site. The location of the reconnection sites and spatial scales of the diffusion region are updated during the simulations. Such an approach allows quantifying the interaction between large-scale global magnetospheric dynamics and microphysical processes in diffusion regions localized near reconnection sites. To clarify the role of smallscale non-MHD effects in diffusion region on the global magnetospheric dynamic and to test different models of dissipation we perform simulations with steady southward IMF driving of the magnetosphere.

Kuznetsova, M. M.↗
NASA NTRS2010

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor↗
DOE OSTI2019

A posteriori error estimation and adaptivity in hp virtual elements

An explicit and computable error estimator for the hp version of the virtual element method (VEM), together with lower and upper bounds with respect to the exact energy error, is presented. Such error estimator is employed to provide, following the approach of Melenk and Wohlmuth (Adv Comput Math 15(1–4):311–331, 2001), hp adaptive mesh refinements for very general polygonal meshes. In addition, a novel VEM hp Clément quasi-interpolant, instrumental for the a posteriori error analysis, is introduced. The performances of the adaptive method are validated by a number of numerical experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Implementation of a Mesh refinement algorithm into the quasi-static PIC code QuickPIC

Plasma-based acceleration (PBA) has emerged as a promising candidate for the accelerator technology used to build a future linear collider and/or an advanced light source. In PBA, a trailing or witness particle beam is accelerated in the plasma wave wakefield (WF) created by a laser or particle beam driver. The WF is often nonlinear and involves the crossing of plasma particle trajectories in real space and thus particle-in-cell methods are used. The distance over which the drive beam evolves is several orders of magnitude larger than the wake wavelength. This large disparity in length scales is amenable to the quasi-static approach. Three-dimensional (3D), quasi-static (QS), particle-in-cell (PIC) codes, e.g., QuickPIC, have been shown to provide high fidelity simulation capability with 2-4 orders of magnitude speedup over 3D fully explicit PIC codes. In PBA, the witness beam needs to be matched to the focusing forces of the WF to reduce the emittance growth. In some linear collider designs, the matched spot size of the witness beam can be 2 to 3 orders of magnitude smaller than the spot size (and wavelength) of the wakefield. Such an additional disparity in length scales is ideal for mesh refinement where the WF within the witness beam is described on a finer mesh than the rest of the WF. A mesh refinement scheme is described that has been implemented into the 3D QS PIC code, QuickPIC. Very fine (high) resolution is used in a small spatial region that includes the witness beam and progressively coarser resolutions in the rest of the simulation domain. A fast multigrid Poisson solver has been implemented for the field solve on the refined meshes and a Fast Fourier Transform (FFT) based Poisson solver is used for the coarse mesh. The code has been parallelized with both MPI and OpenMP, and the parallel scalability has also been improved by using pipelining. A preliminary adaptive mesh refinement technique is described to optimize the computational time for simulations with an evolving witness beam size. Several test problems are used to verify that the mesh refinement algorithm provides accurate results. Additionally, the results are benchmarked against highly resolved simulations exhibiting near-azimuthal symmetry, performed using QPAD—a novel hybrid QS PIC code that uses a PIC description in the coordinates (r, ct – z) and a gridless description in the azimuthal angle, Φ.

Linear collider↗
DOE OSTI2014

Effect of Resolution on Propagating Detonation Wave

Simulations of the cylinder test are used to illustrate the effect of mesh resolution on a propagating detonation wave. For this study we use the xRage code with the SURF burn model for PBX 9501. The adaptive mesh capability of xRage is used to vary the resolution of the reaction zone. We focus on two key properties: the detonation speed and the cylinder wall velocity. The latter is related to the release isentrope behind the detonation wave. As the reaction zone is refined (2 to 15 cells for cell size of 62 to 8μm), both the detonation speed and final wall velocity change by a small amount; less than 1 per cent. The detonation speed decreases with coarser resolution. Even when the reaction zone is grossly under-resolved (cell size twice the reaction-zone width of the burn model) the wall velocity is within a per cent and the detonation speed is low by only 2 per cent.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Comparison of Full-Field and Integrated CFD Convergence Based on Richardson Extrapolation

This work investigated the usefulness of Richardson extrapolation--based discretization error estimates across all points in a solution field to produce a spatial convergence field for a computational fluid dynamics (CFD) simulation. The presented work used previously developed methods for Richardson extrapolation to compute the convergence orders of a CFD simulation at all points of the base (coarsest) mesh solution. Three test cases of increasing complexity were considered: Poiseuille flow, incompressible flow around a sharp corner, and transonic flow over an RAE 2822 airfoil. These test cases highlighted the potential of the proposed method to identify error sources and their relation to the model system-response-quantity convergence orders. However, these test cases also revealed the immaturity of the proposed method stemming from the unreliability of computing observed convergence orders at single points. Nonetheless, the test cases highlighted that the observed convergence orders allow for a more accurate diagnosis of constructive and destructive error transport than mesh pair error estimates. In the long run, the proposed method can be a tool for developing efficient and advanced error management strategies like adaptive mesh refinement.

Weinmeister, Justin↗