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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Reducing Memory Consumption in Calico with Shared Memory

This document details the work to reduce memory consumption in Calico. Calico is SimTools’ Constructive Solid Geometry (CSG) and geometry painting library. It is primarily used to paint material volume fractions in the Eulerian meshes of the physics codes. Calico provides point-in-body checks for the geometry supplied by an Oso model, which are then aggregated by the host codes. In addition, Calico can be used to build Oso models and is used by Ingen for that purpose. Oso models, and thus Calico, provide support for various CSG primitives such as spheres, cylinders, surfaces generated by rotating tabular curve data, and STL files as well as binary combinations of those primitives. Prior to refactoring Calico will run out of memory on CTS-1 machines when 36 MPI ranks are used per node when reading STL models on the order of 1.5 GB. This limitation is a bottleneck in designer workflow. This problem has been alleviated through the use of data structures to both reduce memory consumption and to leverage MPI-3 shared memory. This report details the data structures targeted for refactoring in Calico, the methods and implementation details for reducing memory consumption and leveraging shared memory, and results for one test problem. Results show a memory reduction when loading a 1 GB STL file by a factor of 27.5, from 93.4 to 3.4 GB.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Nonlinear elasticity with the Shifted Boundary Method

Here, we propose a new unfitted/immersed computational framework for nonlinear solid mechanics, which bypasses the complexities associated with the generation of CAD representations and subsequent body-fitted meshing. This approach allows to speed up the cycle of design and analysis in complex geometry and requires relatively simple computer graphics representations of the surface geometries to be simulated, such as the Standard Tessellation Language (STL format). Complex data structures and integration on cut elements are avoided by means of an approximate boundary representation and a modification (shifting) of the boundary conditions to maintain optimal accuracy. An extensive set of computational experiments in two and three dimensions is included.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Frequency Domain Calculations Of Acoustic Propagation

Two complex geometry problems are solved using the linearized Euler equations. The impedance mismatch method1 is used to impose the solid surfaces without the need to use a body-fitted grid. The problem is solved in the frequency domain to avoid long run times. Although the harmonic assumption eliminates all time dependence, a pseudo-time term is added to allow conventional iterative methods to be employed. A Jameson type, Runge-Kutta scheme is used to advance the solution in pseudo time. The spatial operator is based on a seven-point, sixth-order finite difference. Constant coefficient, sixth-derivative artificial dissipation is used throughout the domain. A buffer zone technique employing a complex frequency to damp all waves near the boundaries is used to minimize reflections. The results show that the method is capable of capturing the salient features of the scattering, but an excessive number of grid points are required to resolve the phenomena in the vicinity of the solid bodies because the wavelength of the acoustics is relatively short compared with the size of the bodies. Smoothly transitioning into the immersed boundary condition alleviates the difficulties, but a fine mesh is still required.

Lockard, David P.↗
NASA NTRS2011

Ares I-X First Stage Separation Loads and Dynamics Reconstruction

The Ares I-X flight test provided NASA with the opportunity to test hardware and gather critical data to ensure the success of future Ares I flights. One of the primary test flight objectives was to evaluate the environment during First Stage separation to better understand the conditions that the J-2X second stage engine will experience at ignition [1]. A secondary objective was to evaluate the effectiveness of the stage separation motors. The Ares I-X flight test vehicle was successfully launched on October 29, 2009, achieving most of its primary and secondary test objectives. Ground based video camera recordings of the separation event appeared to show recontact of the First Stage and the Upper Stage Simulator followed by an unconventional tumbling of the Upper Stage Simulator. Closer inspection of the videos and flight test data showed that recontact did not occur. Also, the motion during staging was as predicted through CFD analysis performed during the Ares I-X development. This paper describes the efforts to reconstruct the vehicle dynamics and loads through the staging event by means of a time integrated simulation developed in TREETOPS, a multi-body dynamics software tool developed at NASA [2]. The simulation was built around vehicle mass and geometry properties at the time of staging and thrust profiles for the first stage solid rocket motor as well as for the booster deceleration motors and booster tumble motors. Aerodynamic forces were determined by models created from a combination of wind tunnel testing and CFD. The initial conditions such as position, velocity, and attitude were obtained from the Best Estimated Trajectory (BET), which is compiled from multiple ground based and vehicle mounted instruments. Dynamic loads were calculated by subtracting the inertial forces from the applied forces. The simulation results were compared to the Best Estimated Trajectory, accelerometer flight data, and to ground based video.

Demory, Lee↗
NASA NTRS2011

Computational Fluid Dynamics Demonstration of Rigid Bodies in Motion

The Design Analysis Branch (NE-Ml) at the Kennedy Space Center has not had the ability to accurately couple Rigid Body Dynamics (RBD) and Computational Fluid Dynamics (CFD). OVERFLOW-D is a flow solver that has been developed by NASA to have the capability to analyze and simulate dynamic motions with up to six Degrees of Freedom (6-DOF). Two simulations were prepared over the course of the internship to demonstrate 6DOF motion of rigid bodies under aerodynamic loading. The geometries in the simulations were based on a conceptual Space Launch System (SLS). The first simulation that was prepared and computed was the motion of a Solid Rocket Booster (SRB) as it separates from its core stage. To reduce computational time during the development of the simulation, only half of the physical domain with respect to the symmetry plane was simulated. Then a full solution was prepared and computed. The second simulation was a model of the SLS as it departs from a launch pad under a 20 knot crosswind. This simulation was reduced to Two Dimensions (2D) to reduce both preparation and computation time. By allowing 2-DOF for translations and 1-DOF for rotation, the simulation predicted unrealistic rotation. The simulation was then constrained to only allow translations.

Camarena, Ernesto↗
NASA NTRSDate not supplied

Advances in Automation of Overset Structured Volume Mesh Generation and Domain Connectivity

Automation of overset structured surface mesh generation has recently been accomplished by the creation of face, edge, and node meshes based on Boundary Representation solids as the geometry input. The current work continues the automation effort in overset volume mesh generation and domain connectivity based on the auto-generated surface meshes. All near-body curvilinear volume meshes are automatically generated using hyperbolic methods. Automation of this step is enabled by appropriate surface grid point distribution, and selection of boundary-splay and smoothing parameters based on concave and convex surface features. The off-body domain is covered by two automatically generated grid systems. The first contains a single Cartesian mesh with a uniform core enclosing all near-body volume meshes and stretched layers that extend to the far field, while the second consists of a set of small stretched Cartesian grids covering pockets of off-body orphan points. With high quality mesh overlap mostly guaranteed by the surface meshing scheme, orphan points that need to be covered by the second Cartesian mesh system are located away from the fine grid spacing region near the wall. Using line-segment and ray-pierce tests against the surface grids, hole-cutting is accomplished on both near and off-body volume grids resulting in appropriate clearances from the wall. The complete mesh generation automation process is demonstrated on five test cases where flow solutions are also computed and compared with solutions obtained using other methods.

TTT↗
NASA NTRS2017

Fully Coupled Aero-Thermochemical-Elastic Simulations of an Eroding Graphite Nozzle

A multiphysics simulation capability has been developed that incorporates mutual interactions between aerodynamics, structural response from aero/thermal loading, ablation/pyrolysis, heating, and surface-to-surface radiation to perform high-fidelity, fully coupled aerothermoelastic ablation simulations, which to date had been unattainable. The multiphysics framework couples CHAR (a 3-D implicit charring ablator solver), Loci/CHEM (a computational fluid dynamics solver for high-speed chemically reacting flows), and Abaqus (a nonlinear structural dynamics solver) to create a fully coupled aerothermoelastic charring ablative solver. The solvers are tightly coupled in a fully integrated fashion to resolve the effects of the ablation pyrolysis and charring process and chemistry products upon the flow field, the changes in surface geometry due to recession upon the flow field, and thermal-structural analysis of the body from the induced aerodynamic heating from the flow field. The multiphysics framework was successfully demonstrated on a solid rocket motor graphite nozzle erosion application. Comparisons were made with available experimental data that measured the throat erosion during the motor firing. The erosion data is well characterized, as the test rig was equipped with a windowed nozzle section for real-time X-ray radiography diagnostics of the instantaneous throat variations for deducing the instantaneous erosion rates. The nozzle initially undergoes a nozzle contraction due to thermal expansion before ablation effects are able to widen the throat. A series of parameters studies were conducted using the coupled simulation capability to determine the sensitivity of the nozzle erosion to different parameters. The parameter studies included the shape of the nozzle throat (flat versus rounded), the material properties, the effect of the choice of turbulence model, and the inclusion or exclusion of the mechanical thermal expansion. Overall, the predicted results match the experiment very well, and the predictions were able to bound the data within acceptable limits.

Blades, E. L.↗
DOE OSTI2023

Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases

Here, we developed a PyTorch-based architecture called HydraGNN that implements graph convolutional neural networks (GCNNs) to predict the formation energy and the bulk modulus for models of solid solution alloys for various atomic crystal structures and relaxed volumes. We trained the GCNN surrogate model on a dataset for nickel–niobium (NiNb) generated by the embedded atom model (EAM) empirical interatomic potential for demonstration purposes. The dataset was generated by calculating the formation energy and the bulk modulus as a prototypical elastic property for optimized geometries starting from initial body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal compact packed (HCP) crystal structures, with configurations spanning the possible compositional range for each of the three types of initial crystal structures. Numerical results show that the GCNN model effectively predicts both the formation energy and the bulk modulus as function of the optimized crystal structure, relaxed volume, and configurational entropy of the model structures for solid solution alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Packing fraction control during additive manufacturing of powder green bodies

The demand for high performance ceramic and metal components with complex geometry necessitates developments in powder handling and green body shaping. Here, in this study, vibrational powder deposition is adapted to three-dimensional printing with the ability to modulate packing fraction during printing. Boron carbide powder with sub-micron primary particle size is printed over a packing fraction range of 25.0 % to 46.5 % (below the poured density to above the tapped density). Solid metal powders are printed at 67.5 %, which enables novel freestanding, vertical-walled features without binder. These capabilities introduce opportunities for more complex geometries in high-performance materials, e.g. large-scale uniaxial hot-pressing of ceramic ballistic armor components with graded thickness and three-dimensional curved or stepped features (by compensating for displacement differences during compaction). This technology also enables multi-material patterning of additive manufacturing powder beds with reduced feedstock quantity requirements and wastage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ORNL_AISD_NiNb

This dataset describes the nickel-niobium solid solution binary alloy, where the two constituent elements nickel (Ni) and niobium (Nb) are randomly placed on an underlying crystal lattice. This dataset for nickel-niobium (Ni-Nb) alloys available includes the formation energy and bulk modulus for each crystal structure. Each atomic sample has a disordered phase which is obtained starting from an initial regular crystal structure of type body-centered cubic (BCC), face-centered cubic (FCC), or hexagonal compact packed (HCP). The geometry optimization ensures that all the alloy samples reached the equilibrium with negative formation energy. We perform geometry optimizations using the LAMMPS simulation package [1], a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. We utilized the embedded atom model (EAM) potential for Ni and Nb developed in a previous study [2]. The potential could describe behaviors of the liquid and solid phases of Ni-Nb alloy. The structural factors and angular distributions of three atoms are well-matched with X-ray and ab initio-based molecular dynamics data. We prepared the three different crystals with different initial lattice parameters (3.52 Ã… for FCC, 3.32 Ã… for BCC, and 3.5 Ã… for HCP). We performed energy minimization in two steps. Firstly, we minimized the structures with an isotropic unit cell to minimize the side effects from our arbitrary lattice parameters for all other compositions. Then, we applied geometry optimization with a triclinic (non-orthogonal) unit cell to fully minimize the stress components to calculate the elastic constants. In this procedure, we chose 10,000 as the maximum number of allowable steps aimed at obtaining fully relaxed atomic geometries. The dataset consists of three sets of crystal structures. The first set contains 46,086 irregular crystal structures, each of them with 54 atoms, obtained through optimization starting from a regular BCC crystal structure. The second set contains 24,543 irregular crystal structures, each of them with 32 atoms, obtained through optimization starting from a regular FCC crystal structure. The third set contains 39,303 irregular crystal structures, each of them with 48 atoms, obtained through optimization starting from a regular HCP crystal structure. The atomic configurations within each set span the possible compositional range. The three sets have been unified in a global dataset, which is extremely heterogeneous in terms of crystal structures, lattice volumes, and atomic configurations. Organization of files inside the dataset: the dataset contains three subdirectories called • BCC_opt • FCC_opt • HCP_opt based on the type of initial regular structure used to start the geometry optimization. Inside each of these folders, every atomic structure is identified by a string “A_B_Câ€, where A denotes the number of Nb in the system, B denotes index of structure with a given Nb number, and C denotes the total number of structures generated with a given Nb number. For each optimized crystal structure identified by the unique string of characters “A_B_Câ€, three files are provided: • A_B_C_opt.xyz: The optimized geometries in xyz format • A_B_C_opt.cfg: The optimized geometries in cfg format. It includes cell information and atomic energy, and forces calculated from LAMMPS. • A_B_C.elastic: Raw data of 21 elastic constants from LAMMPS output. • A_B_C.bulk: Calculated upper and lower bounds of bulk modulus and averaged one based on Voigt-Reuss-Hill approach from *.elastic. References: [1] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm., 271:108171, 2022. [2] Y Zhang, R Ashcraft, MI Mendelev, CZ Wang, and KF Kelton. Experimental and molecular dynamics simulation study of structure of liquid and amorphous ni62nb38 alloy. The Journal of chemical physics, 145(20):204505, 2016.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Analytical correlation of centrifugal compressor design geometry for maximum efficiency with specific speed

Centrifugal compressor performance was examined analytically to determine optimum geometry for various applications as characterized by specific speed. Seven specific losses were calculated for various combinations of inlet tip-exit diameter ratio, inlet hub-tip diameter ratio, blade exit backsweep, and inlet-tip absolute tangential velocity for solid body prewhirl. The losses considered were inlet guide vane loss, blade loading loss, skin friction loss, recirculation loss, disk friction loss, vaneless diffuser loss, and vaned diffuser loss. Maximum total efficiencies ranged from 0.497 to 0.868 for a specific speed range of 0.257 to 1.346. Curves of rotor exit absolute flow angle, inlet tip-exit diameter ratio, inlet hub-tip diameter ratio, head coefficient and blade exit backsweep are presented over a range of specific speeds for various inducer tip speeds to permit rapid selection of optimum compressor size and shape for a variety of applications.

Galvas, M. R.↗
NASA NTRS1990

The method of lines in analyzing solids containing cracks

A semi-numerical method is reviewed for solving a set of coupled partial differential equations subject to mixed and possibly coupled boundary conditions. The line method of analysis is applied to the Navier-Cauchy equations of elastic and elastoplastic equilibrium to calculate the displacement distributions in various, simple geometry bodies containing cracks. The application of this method to the appropriate field equations leads to coupled sets of simultaneous ordinary differential equations whose solutions are obtained along sets of lines in a discretized region. When decoupling of the equations and their boundary conditions is not possible, the use of a successive approximation procedure permits the analytical solution of the resulting ordinary differential equations. The use of this method is illustrated by reviewing and presenting selected solutions of mixed boundary value problems in three dimensional fracture mechanics. These solutions are of great importance in fracture toughness testing, where accurate stress and displacement distributions are required for the calculation of certain fracture parameters. Computations obtained for typical flawed specimens include that for elastic as well as elastoplastic response. Problems in both Cartesian and cylindrical coordinate systems are included. Results are summarized for a finite geometry rectangular bar with a central through-the-thickness or rectangular surface crack under remote uniaxial tension. In addition, stress and displacement distributions are reviewed for finite circular bars with embedded penny-shaped cracks, and rods with external annular or ring cracks under opening mode tension. The results obtained show that the method of lines presents a systematic approach to the solution of some three-dimensional mechanics problems with arbitrary boundary conditions. The advantage of this method over other numerical solutions is that good results are obtained even from the use of a relatively coarse grid.

Gyekenyesi, John P.↗
NASA NTRS1994

The nature of the dense obscuring material in the nucleus of NGC 1068

High spatial and spectral resolution observations of the distribution, physical parameters, and kinematics of the molecular interstellar medium toward the nucleus of the Seyfert 2 galaxy NGC 1068 are reported. The data consist of 2.4 by 3.4 arcseconds resolution interferometry of the 88.6 GHz HCN J = 1 towards 0 line at 17 km/s spectral resolution, single dish observations of several mm/submm isotopic lines of CO and HCN, and 0.85 arcseconds imaging spectroscopy of the 2.12 micron H2 S(1) line at a velocity resolution of 110 km/s. The central few hundred parsecs of NGC 1068 contain a system of dense (N(H2) approximately 10(exp 5) cm(exp -3)), warm (T greater than or equal to 70 K) molecular cloud cores. The low density molecular envelopes have probably been stripped by the nuclear wind and radiation. The molecular gas layer is located in the plane of NGC 1068's large scale disk (inclination approximately 35 deg) and orbits in elliptical streamlines in response to the central stellar bar. The spatial distribution of the 2 micron H2 emission suggests that gas is shocked at the leading edge of the bar, probably resulting in gas influx into the central 100 pc at a rate of a few solar mass per year. In addition to large scale streaming (with a solid body rotation curve), the HCN velocity field requires the presence of random motions of order 100 km/s. We interpret these large random motions as implying the nuclear gas disk to be very thick (scale height/radius approximately 1), probably as the result of the impact of nuclear radiation and wind on orbiting molecular clouds. Geometry and column density of the molecular cloud layer between approximately 30 pc to 300 pc from the nucleus can plausibly account for the nuclear obscuration and anisotropy of the radiation field in the visible and UV.

Tacconi, L. J.↗
DOE OSTI2021

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2012

Extension of the Time-Spectral Approach to Overset Solvers for Arbitrary Motion

Forced periodic flows arise in a broad range of aerodynamic applications such as rotorcraft, turbomachinery, and flapping wing configurations. Standard practice involves solving the unsteady flow equations forward in time until the initial transient exits the domain and a statistically stationary flow is achieved. It is often required to simulate through several periods to remove the initial transient making unsteady design optimization prohibitively expensive for most realistic problems. An effort to reduce the computational cost of these calculations led to the development of the Harmonic Balance method [1, 2] which capitalizes on the periodic nature of the solution. The approach exploits the fact that forced temporally periodic flow, while varying in the time domain, is invariant in the frequency domain. Expanding the temporal variation at each spatial node into a Fourier series transforms the unsteady governing equations into a steady set of equations in integer harmonics that can be tackled with the acceleration techniques afforded to steady-state flow solvers. Other similar approaches, such as the Nonlinear Frequency Domain [3,4,5], Reduced Frequency [6] and Time-Spectral [7, 8, 9] methods, were developed shortly thereafter. Additionally, adjoint-based optimization techniques can be applied [10, 11] as well as frequency-adaptive methods [12, 13, 14] to provide even more flexibility to the method. The Fourier temporal basis functions imply spectral convergence as the number of harmonic modes, and correspondingly number of time samples, N, is increased. Some elect to solve the equations in the frequency domain directly, while others choose to transform the equations back into the time domain to simplify the process of adding this capability to existing solvers, but each harnesses the underlying steady solution in the frequency domain. These temporal projection methods will herein be collectively referred to as Time-Spectral methods. Time-Spectral methods have demonstrated marked success in reducing the computational costs associated with simulating periodic forced flows, but have yet to be fully applied to overset or Cartesian solvers for arbitrary motion with dynamic hole-cutting. Overset and Cartesian grid methodologies are versatile techniques capable of handling complex geometry configurations in practical engineering applications, and the combination of the Time-Spectral approach with this general capability potentially provides an enabling new design and analysis tool. In an arbitrary moving-body scenario for these approaches, a Lagrangian body moves through a fixed Eulerian mesh and mesh points in the Eulerian mesh interior to the solid body are removed (cut or blanked), leaving a hole in the Eulerian mesh. During the dynamic motion some gridpoints in the domain are blanked and do not have a complete set of time-samples preventing a direct implementation of the Time-Spectral method. Murman[6] demonstrated the Time-Spectral approach for a Cartesian solver with a rigid domain motion, wherein the hole cutting remains constant. Similarly, Custer et al. [15, 16] used the NASA overset OVERFLOW solver and limited the amount of relative motion to ensure static hole-cutting and interpolation. Recently, Mavriplis and Mundis[17] demonstrated a qualitative method for applying the Time-Spectral approach to an unstructured overset solver for arbitrary motion. The goal of the current work is to develop a robust and general method for handling arbitrary motion with the Time-Spectral approach within an overset or Cartesian mesh method, while still approaching the spectral convergence rate of the original Time-Spectral approach. The viscous OVERFLOW solver will be augmented with the new Time-Spectral algorithm and the capability of the method for benchmark problems in rotorcraft and turbomachinery will be demonstrated. This abstract begins with a brief synopsis of the Time-Spectral approach for overset grids and provides details of e current approach to allow for arbitrary motion. Model problem results in one and two dimensions are included to demonstrate the viability of the method and the convergence properties. Section IV briefly outlines the implementation into the OVERFLOW solver, and the abstract closes with a description of the benchmark test cases which will be included in the final paper.

Leffell, Joshua Isaac↗
NASA NTRS1996

Computational aeroacoustics and numerical simulation of supersonic jets

The research project has been a computational study of computational aeroacoustics algorithms and numerical simulations of the flow and noise of supersonic jets. During this study a new method for the implementation of solid wall boundary conditions for complex geometries in three dimensions has been developed. In addition, a detailed study of the simulation of the flow in and noise from supersonic circular and rectangular jets has been conducted. Extensive comparisons have been made with experimental measurements. A summary of the results of the research program are attached as the main body of this report in the form of two publications. Also, the report lists the names of the students who were supported by this grant, their degrees, and the titles of their dissertations. In addition, a list of presentations and publications made by the Principal Investigators and the research students is also included.

Morris, Philip J.↗
DOE OSTI2024

Point containment algorithms for constructive solid geometry with unbounded primitives

Here, we present several algorithms for evaluating point containment in constructive solid geometry (CSG) trees with unbounded primitives. Three algorithms are presented based on postfix, prefix, and infix notations of the CSG binary expression tree. We show that prefix and infix notations enable short-circuiting logic, which reduces the number of primitives that must be checked during point containment. To evaluate the performance of the algorithms, each algorithm was implemented in the OpenMC Monte Carlo particle transport code, which relies on CSG to represent solid bodies through which subatomic particles travel. Two sets of tests were carried out. First, the execution time to generate a rasterized image of a 2D slice of three CSG models of varying complexity was measured. Use of both prefix and infix notations offered significant speedup over the postfix notation that has traditionally been used in particle transport codes, with infix resulting in a 6 x reduction in execution time relative to postfix for a model of a tokamak fusion device. We then measured the execution time of neutron transport simulations of the same three models using each of the algorithms. The results and performance improvements reveal the same trends as for the rasterization test, with a 5.52 x overall speedup using the infix notation relative to the original postfix notation in OpenMC for the tokamak model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗