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Sandia Toolkit Manual Version 5.15.6

This report provides documentation for the Sandia Toolkit (STK) modules. STK modules are intended to provide infrastructure that assists the development of computational engineering software such as finite-element analysis applications. STK includes modules for unstructured-mesh data structures, reading/writing mesh files, geometric proximity search, and various utilities. This document contains a chapter for each module, and each chapter contains overview descriptions and usage examples. Usage examples are primarily code listings which are generated from working test programs that are included in the STK code-base. A goal of this approach is to ensure that the usage examples will not fall out of date.

97 MATHEMATICS AND COMPUTING↗

Modeling the Interaction of Laser-Produced Proton Beams with Matter

A major goal of this project is to significantly increase our understanding of isochoric heating of matter using laser produced proton beams, and the associated high energy density (HED) and warm dense matter (WDM) regimes generated. This will benefit research fields such as planetary science, fusion energy, plasma physics, and material science. For example, it will enhance our understanding of WDM properties of iron and silica under conditions encountered in planetary interiors and diagnostic components in fusion devices exposed to high fluxes of energetic plasma ions. The project is motivated by recent experiments that irradiated Si targets with proton beams generated by the 20 TW-laser at the SLAC MEC end-station. The HED/WDM states are probed using the 50 fs hard X-rays available in the 3rd harmonic of the LCLS. As part of this project, results from the phase contrast X-ray imaging, which shows the generation of compression waves that produces rear surface spallation, are compared with results from the 3D multi-physics multi- material code, PISALE, that combines Arbitrary Lagrangian-Eulerian (ALE) hydrodynamics with Adaptive Mesh Refinement (AMR). This comparison required modifications to several physics models in the PISALE (Pacific Island Structured-AMR with ALE) code. An important aspect of this project is the continued training of graduate students in HED physics and in conducting complex multiphysics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An advanced generation land mobile satellite system and its critical technologies

A conceptual design for a Land Mobile Satellite System (LMSS) for the 1990s is presented. LMSS involves small tranceivers accessing satellites directly, with ground reception through small car-top antennas. The satellite would have a large antenna and blanket coverage areas in the UHF. The call may originate from a home, be carried by wire to a gateway, transmitted to satellite on the S-band, converted to UHF on the satellite, and transmitted to the vehicle. The system design is constrained by the number of users in an area during the busiest hours, Shuttle storage, controllability factors, and the total area served. A 55-m antenna has been selected, with 87 spot beams and two 10 MHz UHF bands in the 806-890 MHz band. A 17 dB interbeam isolation level is required, implying that sufficient sub-bands can be generated to assure 8265 total channels. The mobile satellite (MSAT) would have an 83 m mast lower segment, a 34 m upper segment, and a second, 10 m antenna made of a deployable mesh. Various antenna function modes are considered.

Naderi, F.↗

The NESSUS finite element code

The objective of this development is to provide a new analysis tool which integrates the structural modeling versatility of a modern finite element code with the latest advances in the area of probabilistic modeling and structural reliability. Version 2.0 of the NESSUS finite element code was released last February, and is currently being exercised on a set of problems which are representative of typical Space Shuttle Main Engine (SSME) applications. NESSUS 2.0 allows linear elastostatic and eigenvalue analysis of structures with uncertain geometry, material properties and boundary conditions, which are subjected to a random mechanical and thermal loading environment. The NESSUS finite element code is a key component in a broader software system consisting of five major modules. NESSUS/EXPERT is an expert system under development at Southwest Research Institute, with the objective of centralizing all component-specific knowledge useful for conducting probabilistic analysis of typical Space Shuttle Main Engine (SSME) components. NESSUS/FEM contains the finite element code used for the structural analysis and parameter sensitivity evaluation of these components. The task of parametrizing a finite element mesh in terms of the random variables present is facilitated with the use of the probabilistic data preprocessor in NESSUS/PRE. An external database file is used for managing the bulk of the data generated by NESSUS/FEM.

Dias, J. B.↗

Blasim: A computational tool to assess ice impact damage on engine blades

A portable computer called BLASIM was developed at NASA LeRC to assess ice impact damage on aircraft engine blades. In addition to ice impact analyses, the code also contains static, dynamic, resonance margin, and supersonic flutter analysis capabilities. Solid, hollow, superhybrid, and composite blades are supported. An optional preprocessor (input generator) was also developed to interactively generate input for BLASIM. The blade geometry can be defined using a series of airfoils at discrete input stations or by a finite element grid. The code employs a coarse, fixed finite element mesh containing triangular plate finite elements to minimize program execution time. Ice piece is modeled using an equivalent spherical objective that has a high velocity opposite that of the aircraft and parallel to the engine axis. For local impact damage assessment, the impact load is considered as a distributed force acting over a region around the impact point. The average radial strain of the finite elements along the leading edge is used as a measure of the local damage. To estimate damage at the blade root, the impact is treated as an impulse and a combined stress failure criteria is employed. Parametric studies of local and root ice impact damage, and post-impact dynamics are discussed for solid and composite blades.

Reddy, E. S.↗

A Well-Balanced Central-Upwind Scheme for the 2D Shallow Water Equations on Triangular Meshes

We are interested in approximating solutions of the two-dimensional shallow water equations with a bottom topography on triangular meshes. We show that there is a certain flexibility in choosing the numerical fluxes in the design of semi-discrete Godunov-type central schemes. We take advantage of this fact to generate a new second-order, central-upwind method for the two-dimensional shallow water equations that is well-balanced. We demonstrate the accuracy of our method as well as its balance properties in a variety of examples.

Bryson, Steve↗

Numerical analysis method for linear induction machines.

A numerical analysis method has been developed for linear induction machines such as liquid metal MHD pumps and generators and linear motors. Arbitrary phase currents or voltages can be specified and the moving conductor can have arbitrary velocity and conductivity variations from point to point. The moving conductor is divided into a mesh and coefficients are calculated for the voltage induced at each mesh point by unit current at every other mesh point. Combining the coefficients with the mesh resistances yields a set of simultaneous equations which are solved for the unknown currents.

Elliott, D. G.↗

Study and design of a cryogenic propellant acquisition system

The development of an acquisition system for supplying subcooled liquid hydrogen and liquid oxygen under in-orbit conditions is discussed. The system will be applied to the integrated cryogenic feed requirements for space systems such as a space shuttle cryogenic auxiliary propulsion system (APS) and main propulsion for an advanced spacecraft propulsion module (ASPM). Concepts that use the favorable surface tension characteristics of fine mesh screens are emphasized. The specific objectives of the program are: (1) to evolve conceptual designs for candidate acquisition systems, (2) to formulate the analytical models needed to analyze the systems, and (3) to generate parametric data on overall candidate system performance, characteristics, and operational features in sufficient depth to establish critical design problems and criteria to support a sound system design and evaluation.

Burge, G. W.↗

An efficient adaptive patched grid gas dynamic solver for complex flows

The patched mesh CSCM flow solver is used with a fast adaptive grid technique to compute complex two dimensional and axisymmetric, inviscid and viscous flows accurately and efficiently. The patched grid technique allows the user to generate the initial grid around complex regions with minimal effort. The adaptive grid strategy permits the grid points to adjust to the solution in accordance with the flow structure and user specified grid constraints and thus improve the accuracy of the solution. Solutions to challenging flow problems are obtained with adapted grids and the numerical examples and the results presented here show clearly the effectiveness of the adaptive grid solution strategy to obtain highly accurate numerical solutions with minimal human effort and computational resources.

Venkatapathy, E.↗

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-dimensional composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exact and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement. The paper begins with a general description of the method. A number of two- and three-dimensional applications are then given, including numerical computations which demonstrate the method's accuracy, efficiency, and capability.

Jin, Jian-Ming↗

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exac, and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite-element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement.

Jin, Jian-Ming↗

LES Analysis of Loss Anomaly in a Turbine Blade with Large Trailing Edge Radius

There is great interest in the usage of Ceramic Matrix Composites (CMC) as a turbine blade material. CMCs can tolerate higher temperatures than alloyed metallic blades, resulting in better thermal efficiency of gas turbine engines. However, depending on the manufacturing process of the CMC, blades may have a larger trailing edge thickness. The design space therefore needs to be updated due to the resulting flow physics. Recently, experimental results acquired at NASA Glenn Transonic Turbine Blade Cascade Rig showed that a loss measure generally increased with increasing trailing edge thickness. For one case however, the losses initially decreased with increasing Reynolds number but rose and peaked at Re ~1.24x10 6 and then subsequently dropped to the original pre-peak trend. A possible cause of this intriguing phenomenon was speculated to be transonic vortex shedding, which is the mechanism of vortex shedding promoted by reflected shed pressure waves at the trailing edge at relatively high Reynolds numbers and higher Mach numbers. A Reynolds-averaged Navier-Stokes (RANS) analysis or a low-resolution large eddy simulation (LES) does not reproduce this apparent anomaly and thus it is worth performing a wall-resolved LES (the total mesh count of ~290 million cells) to investigate the aerodynamics of the CMC blade in the context of transonic vortex shedding. Our numerical results at Re=1,246,350 show that the pressure waves generated by the vortex shedding in the wake travel upstream and significantly influence the transition and separation on the suction side thus enhancing the said vortex shedding in the wake. This feedback seems not to hold under a low-Re condition (Re=621,900). The Reynolds number dependence was also examined by numerical perturbation of the pressure waves in the wake and by examining how such perturbation attenuates or endures. It is confirmed that the perturbation of the pressure waves is quickly damped.

LES↗

Validation of Actuator Line and Actuator Disk Models with Filtered Lifting Line Corrections Implemented in Nalu-Wind Large Eddy Simulations of the Atmospheric Boundary Layer

Turbine generator power from simulations using Actuator Line Models and Actuator Disk Models with a Filtered Lifting Line Correction are compared to field data of a V27 turbine. Preliminary results of the wake characteristics are also presented. Turbine quantities of interest from traditional ALM and ADM with the Gaussian kernel (..epsilon..) set at the optimum value for matching power production and that resolve the kernel at all mesh sizes are also presented. The atmospheric boundary layer is simulated using Nalu-Wind, a Large Eddy Simulation code which is part of the ExaWind code suite. The effect of mesh resolution on quantities of interest is also examined.

Actuator Disk Models↗

Predicting large-scale pool fire dynamics using an unsteady flamelet- and large-eddy simulation-based model suite

A low-Mach, unstructured, large-eddy-simulation-based, unsteady flamelet approach with a generalized heat loss combustion methodology (including soot generation and consumption mechanisms) is deployed to support a large-scale, quiescent, 5-m JP-8 pool fire validation study. The quiescent pool fire validation study deploys solution sensitivity procedures, i.e., the effect of mesh and time step refinement on capturing key fire dynamics such as fingering and puffing, as mesh resolutions approach O(1) cm. A novel design-order, discrete-ordinate-method discretization methodology is established by use of an analytical thermal/participating media radiation solution on both low-order hexahedral and tetrahedral mesh topologies in addition to quadratic hexahedral elements. Here, the coupling between heat losses and the flamelet thermochemical state is achieved by augmenting the unsteady flamelet equation set with a heat loss source term. Soot and radiation source terms are determined using flamelet approaches for the full range of heat losses experienced in fire applications including radiative extinction. The proposed modeling and simulation paradigm are validated using pool surface radiative heat flux, maximum centerline temperature location, and puffing frequency data, all of which are predicted within 10% accuracy. Simulations demonstrate that under-resolved meshes predict an overly conservative radiative heat flux magnitude with improved comparisons as compared to a previously deployed hybrid Reynolds-averaged Navier–Stokes/eddy dissipation concept-based methodology.

42 ENGINEERING↗

Probabilistic projections of the Amery Ice Shelf catchment, Antarctica, under conditions of high ice-shelf basal melt

Abstract. Antarctica's Lambert Glacier drains about one-sixth of the ice from the East Antarctic Ice Sheet and is considered stable due to the strong buttressing provided by the Amery Ice Shelf. While previous projections of the sea-level contribution from this sector of the ice sheet have predicted significant mass loss only with near-complete removal of the ice shelf, the ocean warming necessary for this was deemed unlikely. Recent climate projections through 2300 indicate that sufficient ocean warming is a distinct possibility after 2100. This work explores the impact of parametric uncertainty on projections of the response of the Lambert–Amery system (hereafter “the Amery sector”) to abrupt ocean warming through Bayesian calibration of a perturbed-parameter ice-sheet model ensemble. We address the computational cost of uncertainty quantification for ice-sheet model projections via statistical emulation, which employs surrogate models for fast and inexpensive parameter space exploration while retaining critical features of the high-fidelity simulations. To this end, we build Gaussian process (GP) emulators from simulations of the Amery sector at a medium resolution (4–20 km mesh) using the Model for Prediction Across Scales (MPAS)-Albany Land Ice (MALI) model. We consider six input parameters that control basal friction, ice stiffness, calving, and ice-shelf basal melting. From these, we generate 200 perturbed input parameter initializations using space filling Sobol sampling. For our end-to-end probabilistic modeling workflow, we first train emulators on the simulation ensemble and then calibrate the input parameters using observations of the mass balance, grounding line movement, and calving front movement with priors assigned via expert knowledge. Next, we use MALI to project a subset of simulations to 2300 using ocean and atmosphere forcings from a climate model for both low- and high-greenhouse-gas-emission scenarios. From these simulation outputs, we build multivariate emulators by combining GP regression with principal component dimension reduction to emulate multivariate sea-level contribution time series data from the MALI simulations. We then use these emulators to propagate uncertainty from model input parameters to predictions of glacier mass loss through 2300, demonstrating that the calibrated posterior distributions have both greater mass loss and reduced variance compared to the uncalibrated prior distributions. Parametric uncertainty is large enough through about 2130 that the two projections under different emission scenarios are indistinguishable from one another. However, after rapid ocean warming in the first half of the 22nd century, the projections become statistically distinct within decades. Overall, this study demonstrates an efficient Bayesian calibration and uncertainty propagation workflow for ice-sheet model projections and identifies the potential for large sea-level rise contributions from the Amery sector of the Antarctic Ice Sheet after 2100 under high-greenhouse-gas-emission scenarios.

54 ENVIRONMENTAL SCIENCES↗

A mesh gradient technique for numerical optimization

A class of successive-improvement optimization methods in which directions of descent are defined in the state space along each trial trajectory are considered. The given problem is first decomposed into two discrete levels by imposing mesh points. Level 1 consists of running optimal subarcs between each successive pair of mesh points. For normal systems, these optimal two-point boundary value problems can be solved by following a routine prescription if the mesh spacing is sufficiently close. A spacing criterion is given. Under appropriate conditions, the criterion value depends only on the coordinates of the mesh points, and its gradient with respect to those coordinates may be defined by interpreting the adjoint variables as partial derivatives of the criterion value function. In level 2, the gradient data is used to generate improvement steps or search directions in the state space which satisfy the boundary values and constraints of the given problem.

Willis, E. A., Jr.↗

Computer models of the spacecraft wake

Until recently, computations of space plasma flow over a spacecraft have been unstable for ratios of spacecraft dimension to Debye length typical of the low Earth orbit environment. Calculations are presented of the spacecraft/environment interaction based on two computer codes, MACH and POLAR. MACH, an inside-out particle tracking code, was developed for the purpose of validating the physics of POLAR in regimes where these are no comprehensive theoretical or experimental results. While the spacecraft which can be treated by MACH are restricted to simple geometries, the methodology is more fundamental than POLAR. MACH generates self-consistent solutions within the context of quasisteady Vlasov plasma flow and achieves Debye ratios previously unobtainable. POLAR uses a three-dimensional finite-element representation of the vehicle in a staggered mesh. The plasma sheath is modeled by outside-in particle tracking. Solutions for the plasma flow, wake and vehicle charging are obtained by Vlasov-Poisson iteration; charge stabilization techniques make the results virtually insensitive to the Debye ratio. POLAR reproduces the Laframboise static plasma solutions for sperical probes and fits the Makita-Kuriki probe data for spheres in a flowing plasma in regions where comparisons are valid. POLAR and MACH solutions for the particle and electrostatic potential structure of the wake of a charged disk in a low-altitude flow are shown for Mach numbers 4, 5, and 8. New features of the solutions include ion focussing in the wake and a definitive determination of the sheath edge in the wake which shows that the sheath is not an equipotential.

Rubin, A. G.↗