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At least 37 records · Page 2

Development of Three-Dimensional DRAGON Grid Technology

For a typical three dimensional flow in a practical engineering device, the time spent in grid generation can take 70 percent of the total analysis effort, resulting in a serious bottleneck in the design/analysis cycle. The present research attempts to develop a procedure that can considerably reduce the grid generation effort. The DRAGON grid, as a hybrid grid, is created by means of a Direct Replacement of Arbitrary Grid Overlapping by Nonstructured grid. The DRAGON grid scheme is an adaptation to the Chimera thinking. The Chimera grid is a composite structured grid, composing a set of overlapped structured grids, which are independently generated and body-fitted. The grid is of high quality and amenable for efficient solution schemes. However, the interpolation used in the overlapped region between grids introduces error, especially when a sharp-gradient region is encountered. The DRAGON grid scheme is capable of completely eliminating the interpolation and preserving the conservation property. It maximizes the advantages of the Chimera scheme and adapts the strengths of the unstructured and while at the same time keeping its weaknesses minimal. In the present paper, we describe the progress towards extending the DRAGON grid technology into three dimensions. Essential and programming aspects of the extension, and new challenges for the three-dimensional cases, are addressed.

Zheng, Yao↗

Conservative remapping of material-dependent fields between possibly misaligned material regions

In this work, we propose an interpolation or remapping algorithm of material-dependent fields on polyhedral meshes where any source or target cell contains only one material. It is conservative and it preserves sharp material boundaries on the target mesh, even if the source and target regions delineating the same material are slightly misaligned. If those material regions are aligned, then the algorithm is also linearity-preserving and bounds-preserving. For a given material, it consists of a conservative field reconstruction on a target mesh part from a source mesh part associated with that material, followed by a repair step in case of misaligned boundaries. No assumption is made regarding the topology of the input meshes

36 MATERIALS SCIENCE↗

Learning Conservation Laws in Unknown Quantum Dynamics

We present a learning algorithm for discovering conservation laws given as sums of geometrically local observables in quantum dynamics. This includes conserved quantities that arise from local and global symmetries in closed and open quantum many-body systems. The algorithm combines the classical shadow formalism for estimating expectation values of observable and data analysis techniques based on singular value decompositions and robust polynomial interpolation to discover all such conservation laws in unknown quantum dynamics with rigorous performance guarantees. Our method can be directly realized in quantum experiments, which we illustrate with numerical simulations, using closed and open quantum system dynamics in a ℤ 2 gauge theory and in many-body localized spin chains.

Machine learning↗

Characteristics of Whipple Shield Performance in the Shatter Regime

Between the onset of projectile fragmentation and the assumption of rear wall failure due to an impulsive load, multi-wall ballistic limit equations are linearly interpolated to provide reasonable yet conservative predictions of perforation thresholds with conveniently simple mathematics. Although low velocity and hypervelocity regime predictions are based on analytical expressions, there is no such scientific foundation for predictions in the intermediate (or shatter) regime. As the debris flux in low earth orbit (LEO) becomes increasingly dominated by manmade pollution, the profile of micrometeoroid and orbital debris (MMOD) risk shifts continually towards lower velocities. For the International Space Station (ISS), encounter velocities below 7 km/s now constitute approximately 50% of the penetration risk. Considering that the transition velocity from shatter to hypervelocity impact regimes described by common ballistic limit equations (e.g. new non-optimum Whipple shield equation [1]) occurs at 7 km/s, 50% of station risk is now calculated based on failure limit equations with little analytical foundation. To investigate projectile and shield behavior for impact conditions leading to projectile fragmentation and melt, a series of hypervelocity impact tests have been performed on aluminum Whipple shields. In the experiments projectile diameter, bumper thickness, and shield spacing were kept constant, while rear wall thickness was adjusted to determine spallation and perforation limits at various impact velocities and angles. The results, shown in Figure 1 for normal and 45 impacts, demonstrated behavior that was not sufficiently described by the simplified linear interpolation of the NNO equation (also shown in Figure 1). Hopkins et al. [2] investigated the performance of a nominally-identical aluminum Whipple shield, identifying the effects of phase change in the shatter regime. The results (conceptually represented in Figure 2) were found to agree well with those obtained in this study at normal incidence, suggesting that shielding performance in the shatter regime could be well described by considering more complex phase conditions than currently implemented in most BLEs. Furthermore, evidence of these phase effects were found in the oblique test results, providing the basis for an empirical description of these effects that can be applied in MMOD risk assessment software. In this paper, results of the impact experiments are presented, and characteristics of target damage are evaluated. A comparison of intermediate velocity impact failure mechanisms in current BLEs are discussed and compared to the findings of the experimental study. Risk assessment calculations have been made on a simplified structure using currently implemented penetration equations and predicted limits from the experimental program, and the variation in perceived mission risk is discussed. It was found that ballistic limit curves that explicitly incorporated phase change effects within the intermediate regime lead to a decrease in predicted MMOD risk for ISS-representative orbits. When considered for all Whipple-based shielding configurations onboard the ISS, intermediate phase change effects could lead to significant variations in predicted mission risk.

Ryan, Shannon↗

Computational fluid dynamics research in three-dimensional zonal techniques

Patched-grid algorithms for the analysis of complex configurations with an implicit, upwind-biased Navier-Stokes solver were investigated. Conservative and non-conservative approaches for performing zonal interpolations were implemented. The latter approach yields the most flexible technique in that it can handle both patched and overlaid grids. Results for a two-dimensional blunt body problem show that either approach yield accurate steady-state shock locations and jump conditions. In addition, calculations of the turbulent flow through a hypersonic inlet on a three-zone grid show that the numerical prediction is in good agreement with the experimental results. Through the use of a generalized coordinate transformation at the zonal interface between two or more blocks, the algorithm can be applied to highly stretched viscous grids and to arbitrarily-shaped zonal boundaries. Applications were made to the F-18 aircraft at subsonic, high-alpha conditions, in support of the NASA High-Alpha Research Program. The calculations were compared to ground-based and flight test experiments and were used as a guide to understanding the ground-based tests, which are laminar and transitional, and their relationship to flight. Calculations about a complete reconnaissance aircraft were also performed in order to further demonstrate the capability of the patched-grid algorithm.

Walters, Robert W.↗

Hybrid Grid Techniques for Propulsion Applications

During the past decade, computational simulation of fluid flow for propulsion activities has progressed significantly, and many notable successes have been reported in the literature. However, the generation of a high quality mesh for such problems has often been reported as a pacing item. Hence, much effort has been expended to speed this portion of the simulation process. Several approaches have evolved for grid generation. Two of the most common are structured multi-block, and unstructured based procedures. Structured grids tend to be computationally efficient, and have high aspect ratio cells necessary for efficently resolving viscous layers. Structured multi-block grids may or may not exhibit grid line continuity across the block interface. This relaxation of the continuity constraint at the interface is intended to ease the grid generation process, which is still time consuming. Flow solvers supporting non-contiguous interfaces require specialized interpolation procedures which may not ensure conservation at the interface. Unstructured or generalized indexing data structures offer greater flexibility, but require explicit connectivity information and are not easy to generate for three dimensional configurations. In addition, unstructured mesh based schemes tend to be less efficient and it is difficult to resolve viscous layers. Recently hybrid or generalized element solution and grid generation techniques have been developed with the objective of combining the attractive features of both structured and unstructured techniques. In the present work, recently developed procedures for hybrid grid generation and flow simulation are critically evaluated, and compared to existing structured and unstructured procedures in terms of accuracy and computational requirements.

Koomullil, Roy P.↗

Machine Learning for Conservative-to-Primitive in Relativistic Hydrodynamics

The numerical solution of relativistic hydrodynamics equations in conservative form requires root-finding algorithms that invert the conservative-to-primitive variables map. These algorithms employ the equation of state of the fluid and can be computationally demanding for applications involving sophisticated microphysics models, such as those required to calculate accurate gravitational wave signals in numerical relativity simulations of binary neutron stars. This work explores the use of machine learning methods to speed up the recovery of primitives in relativistic hydrodynamics. Artificial neural networks are trained to replace either the interpolations of a tabulated equation of state or directly the conservative-to-primitive map. The application of these neural networks to simple benchmark problems shows that both approaches improve over traditional root finders with tabular equation-of-state and multi-dimensional interpolations. In particular, the neural networks for the conservative-to-primitive map accelerate the variable recovery by more than an order of magnitude over standard methods while maintaining accuracy. Neural networks are thus an interesting option to improve the speed and robustness of relativistic hydrodynamics algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗

Some Aspects of Essentially Nonoscillatory (ENO) Formulations for the Euler Equations, Part 3

An essentially nonoscillatory (ENO) formulation is described for hyperbolic systems of conservation laws. ENO approaches are based on smart interpolation to avoid spurious numerical oscillations. ENO schemes are a superset of Total Variation Diminishing (TVD) schemes. In the recent past, TVD formulations were used to construct shock capturing finite difference methods. At extremum points of the solution, TVD schemes automatically reduce to being first-order accurate discretizations locally, while away from extrema they can be constructed to be of higher order accuracy. The new framework helps construct essentially non-oscillatory finite difference methods without recourse to local reductions of accuracy to first order. Thus arbitrarily high orders of accuracy can be obtained. The basic general ideas of the new approach can be specialized in several ways and one specific implementation is described based on: (1) the integral form of the conservation laws; (2) reconstruction based on the primitive functions; (3) extension to multiple dimensions in a tensor product fashion; and (4) Runge-Kutta time integration. The resulting method is fourth-order accurate in time and space and is applicable to uniform Cartesian grids. The construction of such schemes for scalar equations and systems in one and two space dimensions is described along with several examples which illustrate interesting aspects of the new approach.

Chakravarthy, Sukumar R.↗

Conservative treatment of boundary interfaces for overlaid grids and multi-level grid adaptations

Conservative algorithms for boundary interfaces of overlaid grids are presented. The basic method is zeroth order, and is extended to a higher order method using interpolation and subcell decomposition. The present method, strictly based on a conservative constraint, is tested with overlaid grids for various applications of unsteady and steady supersonic inviscid flows with strong shock waves. The algorithm is also applied to a multi-level grid adaptation in which the next level finer grid is overlaid on the coarse base grid with an arbitrary orientation.

Moon, Young J.↗

Conservative treatment of boundary interfaces for overlaid grids and multi-level grid adaptations

Conservative algorithms for boundaray interfaces of overlaid grids are presented. The basic method is zeroth order, and is extended to a higher order method using interpolation and subcell decomposition. The present method, strictly based on a conservative constraint, is tested with overlaid grids for various applications of unsteady and steady supersonic inviscid flows with strong shock waves. The algorithm is also applied to a multi-level grid adaptation in which the next level finer grid is overlaid on the coarse base grid with an arbitrary orientation.

Moon, Young J.↗

Direct Replacement of Arbitrary Grid-Overlapping by Non-Structured Grid

A new approach that uses nonstructured mesh to replace the arbitrarily overlapped structured regions of embedded grids is presented. The present methodology uses the Chimera composite overlapping mesh system so that the physical domain of the flowfield is subdivided into regions which can accommodate easily-generated grid for complex configuration. In addition, a Delaunay triangulation technique generates nonstructured triangular mesh which wraps over the interconnecting region of embedded grids. It is designed that the present approach, termed DRAGON grid, has three important advantages: eliminating some difficulties of the Chimera scheme, such as the orphan points and/or bad quality of interpolation stencils; making grid communication in a fully conservative way; and implementation into three dimensions is straightforward. A computer code based on a time accurate, finite volume, high resolution scheme for solving the compressible Navier-Stokes equations has been further developed to include both the Chimera overset grid and the nonstructured mesh schemes. For steady state problems, the local time stepping accelerates convergence based on a Courant - Friedrichs - Leury (CFL) number near the local stability limit. Numerical tests on representative steady and unsteady supersonic inviscid flows with strong shock waves are demonstrated.

Kao, Kai-Hsiung↗

Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals

The strongly constrained and appropriately normed (SCAN) meta-GGA exchange–correlation functional is constructed as a chemical environment-determined interpolation between two separate energy densities: one describes single-orbital electron densities accurately and another describes slowly varying densities accurately. To conserve constraints known for the exact exchange–correlation functional, the derivatives of this interpolation vanish in the slowly varying limit. While theoretically convenient, this choice introduces numerical challenges that degrade the functional’s efficiency. We have recently reported a modification to the SCAN meta-GGA, termed restored-regularized-SCAN (r 2 SCAN) , that introduces two regularizations into SCAN, which improve its numerical performance at the expense of not recovering the fourth order term of the slowly varying density gradient expansion for exchange. Here, we show the derivation of a progression of density functional approximations [regularized SCAN (rSCAN), r++SCAN, r 2 SCAN, and r 4 SCAN] with increasing adherence to exact conditions while maintaining a smooth interpolation. The greater smoothness of r 2 SCAN seems to lead to better general accuracy than the additional exact constraint of SCAN or r 4 SCAN does.

, correlation energy↗

A multidomain global modeling technique for analysis of Space Shuttle main engine

A multidomain global modeling technique is presented. The purpose of this multidomain methodology is to simultaneously analyze the three-dimensional compressible flow field in Space Shuttle main engine components. This technique provides flexibility and modularity for individual domain and also simplifies the grid generation task for each domain. A two-way coupling procedure is adopted for exchanging interface boundary conditions. This algorithm which requires that the adjacent domains share an overlapping grid slab, is fully conservative and implicit. For non-matching grid systems and for non-overlapping interfaces, an interpolation and/or extrapolation procedure is used when transferring the interface boundary conditions at the adjacent domains. To maintain overall conservation, a flux correction method is subsequently used. The coupling procedure was verified by modeling several geometries with features similar to SSME components. Satisfactory results for all test cases were obtained. Finally, this algorithm has been applied to the SSME flow simulation.

Tam, L. T.↗

Using "AI Poincare" to analyze non-linear integrable optics

This study dives into the applicability of using automated discovery of conserved quantities in dynamical systems relevant to accelerator physics. Specifically, we explore the performance of AI Poincaré in analyzing numerical trajectory data obtained using the McMillan system of non-linear integrable optics. A comprehensive evaluation of the algorithm's performance is conducted through diverse methodologies. These include the analysis of the estimated number of conserved quantities embedded in a dataset and the deviation of interpolated points on the inferred manifold with respect to points in actually in the dataset. the investigation identifies an optimal range of perturbation distances where the underlying manifold extraction algorithm inside AI Poincaré exhibits optimal performance. Additionally, an improved neural network architecture is proposed based on the observed results. Finally, we apply the algorithm to preliminary experimental data from the Integrable Optics Test Accelerator at Fermilab to successfully infer the number of conserved quantities even in the presence of fast decoherence of the measured signal.

Osmanov, Lazare [Free U. Tbilisi]↗

Applications and Improvement of a Coupled, Global and Cloud-Resolving Modeling System

Recently Grabowski (2001) and Khairoutdinov and Randall (2001) have proposed the use of 2D CFWs as a "super parameterization" [or multi-scale modeling framework (MMF)] to represent cloud processes within atmospheric general circulation models (GCMs). In the MMF, a fine-resolution 2D CRM takes the place of the single-column parameterization used in conventional GCMs. A prototype Goddard MMF based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM) is now being developed. The prototype includes the fvGCM run at 2.50 x 20 horizontal resolution with 32 vertical layers from the surface to 1 mb and the 2D (x-z) GCE using 64 horizontal and 32 vertical grid points with 4 km horizontal resolution and a cyclic lateral boundary. The time step for the 2D GCE would be 15 seconds, and the fvGCM-GCE coupling frequency would be 30 minutes (i.e. the fvGCM physical time step). We have successfully developed an fvGCM-GCE coupler for this prototype. Because the vertical coordinate of the fvGCM (a terrain-following floating Lagrangian coordinate) is different from that of the GCE (a z coordinate), vertical interpolations between the two coordinates are needed in the coupler. In interpolating fields from the GCE to fvGCM, we use an existing fvGCM finite- volume piecewise parabolic mapping (PPM) algorithm, which conserves the mass, momentum, and total energy. A new finite-volume PPM algorithm, which conserves the mass, momentum and moist static energy in the z coordinate, is being developed for interpolating fields from the fvGCM to the GCE. In the meeting, we will discuss the major differences between the two MMFs (i.e., the CSU MMF and the Goddard MMF). We will also present performance and critical issues related to the MMFs. In addition, we will present multi-dimensional cloud datasets (i.e., a cloud data library) generated by the Goddard MMF that will be provided to the global modeling community to help improve the representation and performance of moist processes in climate models and to improve our understanding of cloud processes globally (the software tools needed to produce cloud statistics and to identify various types of clouds and cloud systems from both high-resolution satellite and model data will be also presented).

Tao, W.-K.↗

High order interpolation of magnetic fields with vector potential reconstruction for particle simulations

We propose a method for interpolating divergence-free continuous magnetic fields via vector potential reconstruction using Hermite interpolation, which ensures high-order continuity for applications requiring adaptive, high-order ordinary differential equation (ODE) integrators, such as the Dormand-Prince method. The method provides C(m) continuity and achieves high-order accuracy, making it particularly suited for particle trajectory integration and Poincaré section analysis under optimal integration order and timestep adjustments. Through numerical experiments, we demonstrate that the Hermite interpolation method preserves volume and continuity, which are critical for conserving toroidal canonical momentum and magnetic moment in guiding center simulations, especially over long-term trajectory integration. Furthermore, we analyze the impact of insufficient derivative continuity on Runge-Kutta schemes and show how it degrades accuracy at low error tolerances, introducing discontinuity-induced truncation errors. Lastly, we demonstrate performant Poincaré section analysis in two relevant settings of field data collocated from finite element meshes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A conservative implicit-PIC scheme for the hybrid kinetic-ion fluid-electron plasma model on curvilinear meshes

We report that the hybrid kinetic-ion fluid-electron plasma model is widely used to study challenging multi-scale problems in space and laboratory plasma physics. Here, a novel conservative scheme for this model employing implicit particle-in-cell techniques is extended to arbitrary coordinate systems via curvilinear maps from logical to physical space. The scheme features a fully non-linear electromagnetic formulation with a multi-rate time advance - including sub-cycling and orbit-averaging for the kinetic ions. By careful choice of compatible particle-based kinetic-ion and mesh-based fluid-electron discretizations in curvilinear coordinates, as well as particle-mesh interpolations and implicit midpoint time advance, the scheme is proven to conserve total energy for arbitrary curvilinear meshes. In the electrostatic limit, the method is also proven to conserve total momentum for arbitrary curvilinear meshes. Although momentum is not conserved for arbitrary curvilinear meshes in the electromagnetic case, it is for an important subset of Cartesian tensor-packed meshes. The scheme and its novel conservation properties are demonstrated for several challenging numerical problems using different curvilinear meshes, including a merging flux-rope simulation for a space weather application, and a helical m = 1 mode simulation for magnetic fusion energy application.

97 MATHEMATICS AND COMPUTING↗

ILAMBv2.7 benchmarking results comparing E3SMv2.1 land-atmosphere coupled (BGCv2LNDATM) and stand alone land (ELM) simulations with CMIP6 emission driven historical simulations

This dataset contains land model benchmarking results for the Energy Exascale Earth System Model version 2.1 (E3SMv2.1), including outputs from both coupled biogeochemistry simulations and stand-alone land model simulations. These results are compared against several emission-driven historical simulations from the Coupled Model Intercomparison Project Phase 6 (CMIP6). Benchmarking was conducted using the International Land Model Benchmarking (ILAMB) package, version 2.7 (ILAMBv2.7). CMIP6 model outputs were sourced from the Earth System Grid Federation (ESGF), while the E3SMv2.1 results were derived from raw model outputs. These outputs underwent processing steps such as time serialization, conservative regridding, and data standardization to ensure comparability. For spatial interpolation, the Earth System Modeling Framework (ESMF) tool, ESMF_RegridWeightGen, was employed to generate regridding weights, enabling the transformation of E3SM’s native cubed-sphere grid to a regular latitude-longitude grid.

Feng, Sha [PNNL]↗