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pnnl/pyraabe

Automated Raabe table generationPyRaabe is a Python package to automate Raabe table -- a graph representation of airway geometry -- generation from a triangulated surface of an airway geometry. With a single command, it extracts a centerline from an input 3D surface mesh and subsequently computes the relevant attributes for the Raabe table, including length, diameter, bifurcation angle, and gravity angle. These can be used to inform downstream models, such as the Multiple-Path Particle Dosimetry (MPPD) model.

Colby, Sean M.↗

Model, data, and code for paper "Modeling of streamflow in a 30-kilometer-long reach spanning 5 years using OpenFOAM 5.x"

The data package includes data, model, and code that support the analyses and conclusions in the paper titled “modeling of streamflow in a 30-kilometer-long reach spanning 5 years using OpenFOAM 5.x”. The primary goal of this paper is to demonstrate that key streamflow properties such as water depth, flow velocity, and dynamic pressure in a natural river at 30-kilometer scale over 5 years can be reliably and efficiently modeled using the computational framework presented in this paper. To support the paper, various data types from remote sensing, field observations, and computational models are used. Specific details are described as follows. Firstly, the river bathymetry data was obtained from a Light Detection and Ranging (LiDAR) survey. This data is then converted to a triangulated surface format, STL, for mesh generation in OpenFOAM. The STL data can be found in Model_Setups/BaseCase_2013To2015/constant/triSurface. The OpenFOAM mesh generated using this STL file can be found in constant/polyMesh. Other model setups, boundary and initial conditions can be found in /system and /0.org under folder BaseCase_2013To2015. A similar data structure can also be found in BaseCase_2018To2019 for the simulations during 2018 and 2019. Secondly, the OpenFOAM simulations need the upstream discharge and water depth information at the upstream boundary to drive the model. These data are generated from a one-dimensional hydraulic model and the data can be found under the folder Model_Setups /1D model Mass1 data. The mass1_65.csv and mass1_191.csv files include the results of the 1D model at the model inlet and outlet, respectively. The Matlab source code Mass1ToOFBC20182019.m is used to convert these data into OpenFOAM boundary condition setups.With the above OpenFOAM model, it can generate data for water surface elevation, flow velocity, and dynamic pressure. In this paper, the water surface elevation was measured at 7 locations during different periods between 2011 and 2019. The exact survey locations (see Fig1_SurveyLocations.txt) can be found in folder Fig_1. The variation of water stage over time at the 7 locations can be found in folder /Observation_WSE. The data type include .txt, .csv, .xlsx, and .mat. The .mat data can be loaded by Matlab.We also measured the flow velocities at 12 cross-sections along the river. At each cross-section, we recorded the x, y locations, depth, three velocity components u,v,w. These data are saved to a Matlab format which can be found under folder /Observation_Velocity and /Fig_1. The relative locations of velocity survey locations to the river bathymetry can be found in Figure 1c.The water stage data at the 7 locations from OpenFOAM, 1D, and 2D hydraulic models are also provided to evaluate the long-term performance of 3D models vs 1D/2D models. The water stage data for the 7 locations from OpenFOAM have been saved to .mat format and can be found in /OpenFOAM_WSE. The water stage data from the 1D model are saved in .csv format and can be found in /Mass1_WSE. The water stage from the 2D model is saved as .mat format and can be found in / Mass2_WSEIn addition, the OpenFOAM model outputs the information of hydrostatic and hydrodynamic pressure. They are saved as .mat format under folder /Fig_11/2013_1. As the files are too large, we only uploaded the data for January 2013. The area of different ratio of dynamic pressure to static pressure for all simulation range, i.e., 2013-2015, are saved to .mat format. They can be found in /Fig_11/PA. Further, the data of wall clock time versus the solution time of the OpenFOAM modeling are also saved to .mat format under folder /Fig_13/LogsMat. In summary, the data package contains seven data types, including .txt, .csv, .xlsx, .dat, .stl, .m, and .mat. The former 4 types can be directly open using a text editor or Microsoft Office. The .mat format needs to be read by Matlab. The Matlab source code .m files need to be run with Matlab. The OpenFOAM setups can be visualized in ParaView. The .stl file can be opened in ParaView or Blender. The data in subfolders Fig_1 to Fig_10 and Fig_12 are copied from the aforementioned data folders to generate specific figures for the paper. A readME.txt file is included in each subfolder to further describe how the data in each folder are generated and used to support the paper.Please use the data package's DOI to cite the data package. Please contact yunxiang.chen@pnnl.gov if you need more data related to the paper.

54 ENVIRONMENTAL SCIENCES↗

Influence of Vegetation Canopy Architecture on Dynamics of Spatiotemporal Light Distribution and its Effect on Land-Biosphere-Atmosphere Fluxes of Energy, Carbon, and Water

The dynamic spatiotemporal distribution of light and micro climatic variables (wind speed, atmospheric CO 2 concentration, humidity, pressure, and air temperature) within the plant canopy as determined by the canopy architecture play a critical role in land-biosphere-atmosphere (LBA) photosynthetic carbon uptake, transpiratory water loss and energy partitioning. Vegetation models that include effects of sun and shade flecks, leaf temperature and energy balance partitioning between sensible and latent heat fluxes, and reduced turbulent mixing in dense vegetation canopies can accurately predict canopy performance, particularly its shaded leaves, which can constitute 80% of leaf area and contribute up to 50% of carbon update and 65% of water loss. However, current vegetation models with their bulk characterization of shaded leaves poorly represent the complex three dimensional (3D) canopy architecture are insufficient to capture the spatiotemporal dynamics of shaded leaves. Here, we propose to employ an x-ray computed tomography (XCT) imaging technique in combination with an automated, high throughput, image processing pipeline (3DArch, to be developed) to obtain an explicit 3D triangulated surface mesh of a plant canopy (Fig 1). 3DArch would provide a much needed technological jump in 3D LBA modeling where computer generated artificial 3D models suffer from lack of high resolution detailed canopy architecture parameters. The 3D canopy surface mesh output from 3DArch is coupled with an explicit 3D forward ray tracing model (fastTracer) to obtain a high resolution representation of the dynamic spatiotemporal light environment within the canopy over the course of a day (Fig 1). The results from the light attenuation model are then coupled with a process based multi-scale bio-physical canopy and leaf model of photosynthesis (PlantGro) to get fluxes of carbon, water and energy at the leaf and canopy scale, in addition to estimating whole plant carbon uptake, and water loss. Our proposed model framework would be the first of its kind to provide a breakthrough capability in the field of process-based plant modeling that bridges the key technological gap in shaded leaf modeling through explicit representation of 3D canopy architecture. Computer generated artificial 3D model canopy simulations on grasses show that the canopy light distribution does not follow an exponential behavior as assumed in most 1D vegetation models, but rather exhibits a heterogeneous behavior, with a small but significant portion of interior canopy leaves experiencing peak light levels due to sun flecks while the rest of the canopy receives substantially lower light levels. These results indicate a bias in traditional models that overestimates shaded leaf contribution towards whole canopy photosynthesis by up to 15% and underestimate transpiration by up to 12% with an associated increase in sensible heat fluxes since photosynthesis, transpiration and energy partitioning are tightly coupled processes. However, these test results need to be validated using the 3D architecture obtained from a real plant imaged in 3D using 3DArch, rather than an artificial model plant. Our proposed model framework would allow us to identify inefficiencies in canopy light distribution and prescribe optimal canopy architectures (leaf optical properties, leaf area, leaf angles, row spacing, planting density, etc.) to traditional and genetic engineering based crop breeders, for maximizing target functions such as light use efficiency, water use efficiency, drought tolerance, crop yield, crop resilience etc., with important applications in biofuel crops such as sorghum, and switchgrass. Our model can also be applied for designing optimal canopy architecture that increase surface albedo as a mitigation strategy for global warming and projections of crop yield for future food and water security under climate change.

59 BASIC BIOLOGICAL SCIENCES↗

Earth's gravity field to the eighteenth degree and geocentric coordinates for 104 stations from satellite and terrestrial data

Geodetic parameters describing the earth's gravity field and the positions of satellite-tracking stations in a geocentric reference frame have been computed. These parameters were estimated by means of a combination of five different types of data: routine and simultaneous satellite observations, observations of deep space probes, measurements of terrestrial gravity, and surface triangulation data. The combination gives better parameters than does any subset of data types. The dynamic solution used precision-reduced Baker-Nunn observations and laser range data of 25 satellites. Data from the 49-station National Oceanic and Atmospheric Administration BC-4 network, the 19-station Smithsonian Astrophysical Observatory Baker-Nunn network, and independent camera stations were employed in the geometrical solution.

Gaposchkin, E. M.↗

Three-dimensional algorithms for grid restructuring in Free-Lagrangian calculations

Grid restructuring algorithms which lower the price of three-dimensional Free-Lagrange calculations are presented. The algorithms are first given for the case of planar triangulated surfaces embedded in and spanning a three-dimensional region. The tetrahedra generated by this technique form a Delaunay mesh if the interplane spacing is comparable to the resolution within the planes. The algorithm can therefore be used for efficient determinations of Voronoi connections for initial grids. Modifications of the algorithm for the case of closely spaced surfaces are demonstrated in the context of restructuring algorithms which can accommodate colliding surfaces. Then, the restriction to planar surfaces is removed and regular surfaces are examined. The basic algorithm is the same, with an additional operation to project the vertices of one surface onto another. Finally, vertices on the surface are allowed to migrate anywhere in space.

Fritts, M.↗

Adaptive remeshing for three-dimensional compressible flow computations

A practical solution algorithm for steady 3D Euler flows is presented. This algorithm employs coupling of a surface triangulator, an automatic tetrahedral mesh generator, an unstructured grid flow solver, and an error estimation procedure. The performance of the method is illustrated using a shock interaction problem in high Mach number flow over a swept circular cylinder.

Peraire, J.↗

Ames Optimized TCA Configuration

Configuration design at Ames was carried out with the SYN87-SB (single block) Euler code using a 193 x 49 x 65 C-H grid. The Euler solver is coupled to the constrained (NPSOL) and the unconstrained (QNMDIF) optimization packages. Since the single block grid is able to model only wing-body configurations, the nacelle/diverter effects were included in the optimization process by SYN87's option to superimpose the nacelle/diverter interference pressures on the wing. These interference pressures were calculated using the AIRPLANE code. AIRPLANE is an Euler solver that uses a unstructured tetrahedral mesh and is capable of computations about arbitrary complete configurations. In addition, the buoyancy effects of the nacelle/diverters were also included in the design process by imposing the pressure field obtained during the design process onto the triangulated surfaces of the nacelle/diverter mesh generated by AIRPLANE. The interference pressures and nacelle buoyancy effects are added to the final forces after each flow field calculation. Full details of the (recently enhanced) ghost nacelle capability are given in a related talk. The pseudo nacelle corrections were greatly improved during this design cycle. During the Ref H and Cycle 1 design activities, the nacelles were only translated and pitched. In the cycle 2 design effort the nacelles can translate vertically, and pitch to accommodate the changes in the lower surface geometry. The diverter heights (between their leading and trailing edges) were modified during design as the shape of the lower wing changed, with the drag of the diverter changing accordingly. Both adjoint and finite difference gradients were used during optimization. The adjoint-based gradients were found to give good direction in the design space for configurations near the starting point, but as the design approached a minimum, the finite difference gradients were found to be more accurate. Use of finite difference gradients was limited by the CPU time limit available on the Cray machines. A typical optimization run using finite difference gradients can use only 30 to 40 design variables and one optimization iteration within the 8 hour queue limit for the chosen grid size and convergence level. The efficiency afforded by the adjoint method allowed for 50-120 design variables and 5-10 optimization iterations in the 8 hour queue. Geometric perturbations to the wing and fuselage were made using the Hicks/Henne (HH) shape functions. The HH functions were distributed uniformly along the chords of the wing defining sections and lofted linearly. During single-surface design, constraints on thickness and volume at selected wing stations were imposed. Both fuselage camber and cross-sectional area distributions were permitted to change during design. The major disadvantage to the use of these functions is the inherent surface waviness produced by repeated use of such functions. Many smoothing operations were required following optimization runs to produce a configuration with reasonable smoothness. Wagner functions were also used on the wing sections but were never used on the fuselage. The Wagner functions are a family of increasingly oscillatory functions that have also been used extensively in airfoil design. The leading and trailing edge regions of the wing were designed by use of polynomial and monomial functions respectively. Twist was attempted but was abandoned because of little performance improvement available from changing the baseline twist.

Cliff, Susan E.↗

Triangle Geometry Processing for Surface Modeling and Cartesian Grid Generation

Cartesian mesh generation is accomplished for component based geometries, by intersecting components subject to mesh generation to extract wetted surfaces with a geometry engine using adaptive precision arithmetic in a system which automatically breaks ties with respect to geometric degeneracies. During volume mesh generation, intersected surface triangulations are received to enable mesh generation with cell division of an initially coarse grid. The hexagonal cells are resolved, preserving the ability to directionally divide cells which are locally well aligned.

Aftosmis, Michael J.↗

Watertight Anisotropic Surface Meshing Using Quadrilateral Patches

This paper presents a simple technique for generating anisotropic surface triangulations using unstructured quadrilaterals when the CAD entity can be mapped to a logical rectangle. Watertightness and geometric quality measures are maintained and are consistent with the CAPRI default tessellator. These triangulations can match user specified criteria for chord-height tolerance, neighbor triangle dihedral angle, and maximum triangle side length. This discrete representation has hooks back to the owning geometry and therefore can be used in conjunction with these entities to allow for easy enhancement or modification of the tessellation suitable for grid generation or other downstream applications.

Haimes, Robert↗

Application of CART3D to Complex Propulsion-Airframe Integration with Vehicle Sketch Pad

Vehicle Sketch Pad (VSP) is an easy-to-use modeler used to generate aircraft geometries for use in conceptual design and analysis. It has been used in the past to generate metageometries for aerodynamic analyses ranging from handbook methods to Navier-Stokes computational fluid dynamics (CFD). As desirable as it is to bring high order analyses, such as CFD, into the conceptual design process, this has been difficult and time consuming in practice due to the manual nature of both surface and volume grid generation. Over the last couple of years, VSP has had a major upgrade of its surface triangulation and export capability. This has enhanced its ability to work with Cart3D, an inviscid, three dimensional fluid flow toolset. The combination of VSP and Cart3D allows performing inviscid CFD on complex geometries with relatively high productivity. This paper will illustrate the use of VSP with Cart3D through an example case of a complex propulsion-airframe integration (PAI) of an over-wing nacelle (OWN) airliner configuration.

Hahn, Andrew S.↗

Static Aeroelastic Analysis with an Inviscid Cartesian Method

An embedded-boundary, Cartesian-mesh flow solver is coupled with a three degree-of-freedom structural model to perform static, aeroelastic analysis of complex aircraft geometries. The approach solves a nonlinear, aerostructural system of equations using a loosely-coupled strategy. An open-source, 3-D discrete-geometry engine is utilized to deform a triangulated surface geometry according to the shape predicted by the structural model under the computed aerodynamic loads. The deformation scheme is capable of modeling large deflections and is applicable to the design of modern, very-flexible transport wings. The coupling interface is modular so that aerodynamic or structural analysis methods can be easily swapped or enhanced. After verifying the structural model with comparisons to Euler beam theory, two applications of the analysis method are presented as validation. The first is a relatively stiff, transport wing model which was a subject of a recent workshop on aeroelasticity. The second is a very flexible model recently tested in a low speed wind tunnel. Both cases show that the aeroelastic analysis method produces results in excellent agreement with experimental data.

Aeroelastic↗

Advances in Distance-Based Hole Cuts on Overset Grids

An automatic and efficient method to determine appropriate hole cuts based on distances to the wall and donor stencil maps for overset grids is presented. A new robust procedure is developed to create a closed surface triangulation representation of each geometric component for accurate determination of the minimum hole. Hole boundaries are then displaced away from the tight grid-spacing regions near solid walls to allow grid overlap to occur away from the walls where cell sizes from neighboring grids are more comparable. The placement of hole boundaries is efficiently determined using a mid-distance rule and Cartesian maps of potential valid donor stencils with minimal user input. Application of this procedure typically results in a spatially-variable offset of the hole boundaries from the minimum hole with only a small number of orphan points remaining. Test cases on complex configurations are presented to demonstrate the new scheme.

Advances↗

Stochastic PArallel Rarefied-gas Time-accurate Analyzer

The SPARTA package is software for simulating low-density fluids via the Direct Simulation Monte Carlo (DSMC) method, which is a particle-based method for tracking particle trajectories and collisions as a model of a multi-species gas. The main component of SPARTA is a simulation code which allows the user to specify a simulation domain, populate it with particles, embed triangulated surfaces as boundary conditions for the flow, overlay a grid for finding pairs of collision partners, and evolve the system in time via explicit timestepping. The package also includes various pre- and post-processing tools, useful for setting up simulations and analyzing the results. The simulation code runs either in serial on a single processor or desktop machine, or can be run in parallel using the MPI message-passing library, to enable faster performance on large problems.

Michael Gallis, Steve Plimpton↗

MONTE CARLO ANALYSES OF THE YALINA THERMAL FACILITY WITH SERPENT STEREOLITHOGRAPHY GEOMETRY MODEL

This paper analyzes the YALINA Thermal subcritical assembly of Belarus using two different Monte Carlo transport programs, SERPENT and MCNP. The MCNP model is based on combinatorial geometry and universes hierarchy, while the SERPENT model is based on Stereolithography geometry. The latter consists of unstructured triangulated surfaces defined by the normal and vertices. This geometry format is used by 3D printers and it has been created by: the CUBIT software, MATLAB scripts, and C coding. All the Monte Carlo simulations have been performed using the ENDF/B-VII.0 nuclear data library. Both MCNP and SERPENT share the same geometry specifications, which describe the facility details without using any material homogenization. Three different configurations have been studied with different number of fuel rods. The three fuel configurations use 216, 245, or 280 fuel rods, respectively. The numerical simulations show that the agreement between SERPENT and MCNP results is within few tens of pcms.

CUBIT↗

Mesh Adaptive Search Optimization in SERPENT2 Stereolithography Geometry

SERPENT2 Monte Carlo program has the capability to model reactor cores by stereolithography (STL) geometry. In this geometry, volumes are defined by the union of triangulated surfaces. Using the STL geometry offers unique benefits, including: 1) the model can be printed on 3D printers; 2) the possibility to use directly geometrical models from Computer-Aided Design (CAD); 3) the capability to perform multi-physics simulations coupling neutronics, thermal-hydraulics, and material science computations. In this work the STL geometry has been created by the CUBIT software, which is designed for finite elements mesh generation. The materials in the STL geometry have been assigned by a simple C program using the colors of the volumes in the CUBIT model. The goal of this work is to minimize the SERPENT2 computing time using mesh adaptive search algorithms. The basic idea is to split the geometry of the core into two zones: one zone containing the fuel elements (including the moderator and the coolant) and the other containing the reflector (and the target zone of the core, if it is driven by an external neutron source). By performing this splitting, two separate meshes are used, which results in a considerable computing time saving. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

On the Use of CAD-Native Predicates and Geometry in Surface Meshing

Several paradigms for accessing CAD geometry during surface meshing for CFD are discussed. File translation, inconsistent geometry engines and non-native point construction are all identified as sources of non-robustness. The paper argues in favor of accessing CAD parts and assemblies in their native format, without translation, and for the use of CAD-native predicates and constructors in surface mesh generation. The discussion also emphasizes the importance of examining the computational requirements for exact evaluation of triangulation predicates during surface meshing. The native approach is demonstrated through an algorithm for the generation of closed manifold surface triangulations from CAD geometry. CAD parts and assemblies are used in their native format, and a part's native geometry engine is accessed through a modeler-independent application programming interface (API). In seeking a robust and fully automated procedure, the algorithm is based on a new physical space manifold triangulation technique specially developed to avoid robustness issues associated with poorly conditioned mappings. In addition, this approach avoids the usual ambiguities associated with floating-point predicate evaluation on constructed coordinate geometry in a mapped space. The technique is incremental, so that each new site improves the triangulation by some well defined quality measure. The algorithm terminates after achieving a prespecified measure of mesh quality and produces a triangulation such that no angle is less than a given angle bound, a or greater than pi - 2alpha. This result also sets bounds on the maximum vertex degree, triangle aspect-ratio and maximum stretching rate for the triangulation. In addition to the output triangulations for a variety of CAD parts, the discussion presents related theoretical results which assert the existence of such an angle bound, and demonstrate that maximum bounds of between 25 deg and 30 deg may be achieved in practice.

Aftosmis, M. J.↗

Reentry-Vehicle Shape Optimization Using a Cartesian Adjoint Method and CAD Geometry

A DJOINT solutions of the governing flow equations are becoming increasingly important for the development of efficient analysis and optimization algorithms. A well-known use of the adjoint method is gradient-based shape. Given an objective function that defines some measure of performance, such as the lift and drag functionals, its gradient is computed at a cost that is essentially independent of the number of design variables (e.g., geometric parameters that control the shape). Classic aerodynamic applications of gradient-based optimization include the design of cruise configurations for transonic and supersonic flow, as well as the design of high-lift systems. are perhaps the most promising approach for addressing the issues of flow solution automation for aerodynamic design problems. In these methods, the discretization of the wetted surface is decoupled from that of the volume mesh. This not only enables fast and robust mesh generation for geometry of arbitrary complexity, but also facilitates access to geometry modeling and manipulation using parametric computer-aided design (CAD). In previous work on Cartesian adjoint solvers, Melvin et al. developed an adjoint formulation for the TRANAIR code, which is based on the full-potential equation with viscous corrections. More recently, Dadone and Grossman presented an adjoint formulation for the two-dimensional Euler equations using a ghost-cell method to enforce the wall boundary conditions. In Refs. 18 and 19, we presented an accurate and efficient algorithm for the solution of the adjoint Euler equations discretized on Cartesian meshes with embedded, cut-cell boundaries. Novel aspects of the algorithm were the computation of surface shape sensitivities for triangulations based on parametric-CAD models and the linearization of the coupling between the surface triangulation and the cut-cells. The accuracy of the gradient computation was verified using several three-dimensional test cases, which included design variables such as the free stream parameters and the planform shape of an isolated wing. The objective of the present work is to extend our adjoint formulation to problems involving general shape changes. Factors under consideration include the computation of mesh sensitivities that provide a reliable approximation of the objective function gradient, as well as the computation of surface shape sensitivities based on a direct-CAD interface. We present detailed gradient verification studies and then focus on a shape optimization problem for an Apollo-like reentry vehicle. The goal of the optimization is to enhance the lift-to-drag ratio of the capsule by modifying the shape of its heat-shield in conjunction with a center-of-gravity (c.g.) offset. This multipoint and multi-objective optimization problem is used to demonstrate the overall effectiveness of the Cartesian adjoint method for addressing the issues of complex aerodynamic design.

Nemec, Marian↗