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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12

LES/RANS Simulation of a Supersonic Reacting Wall Jet

This work presents results from large-eddy / Reynolds-averaged Navier-Stokes (LES/RANS) simulations of the well-known Burrows-Kurkov supersonic reacting wall-jet experiment. Generally good agreement with experimental mole fraction, stagnation temperature, and Pitot pressure profiles is obtained for non-reactive mixing of the hydrogen jet with a non-vitiated air stream. A lifted flame, stabilized between 10 and 22 cm downstream of the hydrogen jet, is formed for hydrogen injected into a vitiated air stream. Flame stabilization occurs closer to the hydrogen injection location when a three-dimensional combustor geometry (with boundary layer development resolved on all walls) is considered. Volumetric expansion of the reactive shear layer is accompanied by the formation of large eddies which interact strongly with the reaction zone. Time averaged predictions of the reaction zone structure show an under-prediction of the peak water concentration and stagnation temperature, relative to experimental data and to results from a Reynolds-averaged Navier-Stokes calculation. If the experimental data can be considered as being accurate, this result indicates that the present LES/RANS method does not correctly capture the cascade of turbulence scales that should be resolvable on the present mesh. Instead, energy is concentrated in the very largest scales, which provide an over-mixing effect that excessively cools and strains the flame. Predictions improve with the use of a low-dissipation version of the baseline piecewise parabolic advection scheme, which captures the formation of smaller-scale structures superimposed on larger structures of the order of the shear-layer width.

Edwards, Jack R.↗

Mature thunderstorm cloud top structure - Three-dimensional numerical simulation versus satellite observations

Preliminary results of four runs with a three-dimensional model of the effects of vertical wind shear on cloud top height/temperature structure and the internal properties of isolate midlatitude thunderstorms are reported. The model is being developed as an aid to analyses of GEO remote sensing satellite data. The grid is a 27 x 27 x 20 mesh with 2 km horizontal resolution and 0.9 vertical resolution. The total grid is 54 km on a side and 18 km deep. A second-order Crowley scheme for advecting momentum is extended with a third-order correction for spatial truncation error, and the earth-relative horizontal surface wind components are decreased to 50 percent of their values at 0.45 km. A temperature increase with height is included, together with an initial impulse consisting of a nonrotating cylindrical weak buoyant updraft 10 km in radius. The results of the runs are discussed in terms of the time variation of the vertical velocity extrema, the effects of strong and weak shear on a storm, the cloud top height, the Lagrangian dynamics of a thermal couplet, and data from a real storm.

Schlesinger, R. E.↗

Generation of three-dimensional unstructured grids by the advancing-front method

The generation of three-dimensional unstructured grids using the advancing-front technique is described. While this generation technique has been shown to be effective for the generation of unstructured grids in two dimensions, its extension to three-dimensional regions required the development of surface definition software and sophisticated data structures to avoid excessive CPU-time overheads for the search operations involved. After obtaining an initial triangulation of the surfaces, tetrahedrons are generated by successively deleting faces from the generation front. Details of the mesh generation algorithm are given, together with examples and timings.

Lohner, Rainald↗

Roofline Analysis in the Intel® Advisor to Deliver Optimized Performance for applications on Intel® Xeon Phi™ Processor

In this session we show, in two case studies, how the roofline feature of Intel Advisor has been utilized to optimize the performance of kernels of the XGC1 and PICSAR codes in preparation for Intel Knights Landing architecture. The impact of the implemented optimizations and the benefits of using the automatic roofline feature of Intel Advisor to study performance of large applications will be presented. This demonstrates an effective optimization strategy that has enabled these science applications to achieve up to 4.6 times speed-up and prepare for future exascale architectures. # Goal/Relevance of Session The roofline model [1,2] is a powerful tool for analyzing the performance of applications with respect to the theoretical peak achievable on a given computer architecture. It allows one to graphically represent the performance of an application in terms of operational intensity, i.e. the ratio of flops performed and bytes moved from memory in order to guide optimization efforts. Given the scale and complexity of modern science applications, it can often be a tedious task for the user to perform the analysis on the level of functions or loops to identify where performance gains can be made. With new Intel tools, it is now possible to automate this task, as well as base the estimates of peak performance on measurements rather than vendor specifications. The goal of this session is to demonstrate how the roofline feature of Intel Advisor can be used to balance memory vs. computation related optimization efforts and effectively identify performance bottlenecks. A series of typical optimization techniques: cache blocking, structure refactoring, data alignment, and vectorization illustrated by the kernel cases will be addressed. # Description of the codes ## XGC1 The XGC1 code [3] is a magnetic fusion Particle-In-Cell code that uses an unstructured mesh for its Poisson solver that allows it to accurately resolve the edge plasma of a magnetic fusion device. After recent optimizations to its collision kernel [4], most of the computing time is spent in the electron push (pushe) kernel, where these optimization efforts have been focused. The kernel code scaled well with MPI+OpenMP but had almost no automatic compiler vectorization, in part due to indirect memory addresses and in part due to low trip counts of low-level loops that would be candidates for vectorization. Particle blocking and sorting have been implemented to increase trip counts of low-level loops and improve memory locality, and OpenMP directives have been added to vectorize compute-intensive loops that were identified by Advisor. The optimizations have improved the performance of the pushe kernel 2x on Haswell processors and 1.7x on KNL. The KNL node-for-node performance has been brought to within 30% of a NERSC Cori phase I Haswell node and we expect to bridge this gap by reducing the memory footprint of compute intensive routines to improve cache reuse. ## PICSAR is a Fortran/Python high-performance Particle-In-Cell library targeting at MIC architectures first designed to be coupled with the PIC code WARP for the simulation of laser-matter interaction and particle accelerators. PICSAR also contains a FORTRAN stand-alone kernel for performance studies and benchmarks. A MPI domain decomposition is used between NUMA domains and a tile decomposition (cache-blocking) handled by OpenMP has been added for shared-memory parallelism and better cache management. The so-called current deposition and field gathering steps that compose the PIC time loop constitute major hotspots that have been rewritten to enable more efficient vectorization. Particle communications between tiles and MPI domain has been merged and parallelized. All considered, these improvements provide speedups of 3.1 for order 1 and 4.6 for order 3 interpolation shape factors on KNL configured in SNC4 quadrant flat mode. Performance is similar between a node of cori phase 1 and KNL at order 1 and better on KNL by a factor 1.6 at order 3 with the considered test case (homogeneous thermal plasma).

97 MATHEMATICS AND COMPUTING↗

An Accelerated Clip Algorithm for Unstructured Meshes: A Batch-Driven Approach

The clip technique is a popular method for visualizing complex structures and phenomena within 3D unstructured meshes. Meshes can be clipped by specifying a scalar isovalue to produce an output unstructured mesh with its external surface as the isovalue. Similar to isocontouring, the clipping process relies on scalar data associated with the mesh points, including scalar data generated by implicit functions such as planes, boxes, and spheres, which facilitates the visualization of results interior to the grid. In this paper, we introduce a novel batch-driven parallel algorithm based on a sequential clip algorithm designed for high-quality results in partial volume extraction. Our algorithm comprises five passes, each progressively processing data to generate the resulting clipped unstructured mesh. The novelty lies in the use of fixed-size batches of points and cells, which enable rapid workload trimming and parallel processing, leading to a significantly improved memory footprint and run-time performance compared to the original version. On a 32-core CPU, the proposed batch-driven parallel algorithm demonstrates a run-time speed-up of up to 32.6x and a memory footprint reduction of up to 4.37x compared to the existing sequential algorithm. The software is currently available under an open-source license in the VTK visualization system.

Tsalikis, Spiros↗

Interface capturing simulations of bubble population effects in PWR subchannels

As the computational power of high-performance computing (HPC) facilities grows, so too does the feasibility of using first principle based simulation to study turbulent two-phase flows within complex pressurized water reactor (PWR) geometries. Direct numerical simulation (DNS), integrated with an interface capturing method, allows for the collection of high-fidelity numerical data using advanced analysis techniques. The research presented here employs the massively parallel, finite-element based, unstructured mesh code, PHASTA, to simulate a set of two-phase bubbly flows through PWR subchannel geometries including auxiliary structures (spacer grids and mixing vanes). The main objective of the presented work is to analyze bubble dynamics and turbulence interactions at varying bubble concentrations to support the development of advanced two-phase flow closure models. Turbulent two-phase flows in PWR subchannels were simulated at hydraulic Reynolds numbers of 81,000 with bubble concentrations of 3%–15% by gas volume fraction (768–3928 resolved bubbles, respectively) and compared against a 1% void fraction case (262 bubbles) that had been previously simulated. The finite element mesh utilized for the study at higher bubble concentrations was composed of 1.55 billion elements, compared to the previous study which employed 1.11 billion elements, ensuring all turbulence scales and individual bubbles within the flow are fully resolved. For each case, the resolved initial bubble size was 0.65 mm in diameter (resolved with 25 grid points across the diameter). The simulations were analyzed to find flow features such as the mean velocity profile, bubble relative velocity and the effect of the bubbles on the turbulent conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Numerical studies of the fluid and optical fields associated with complex cavity flows

Numerical solutions for the flowfield about several cavity configurations have been computed using the Reynolds averaged Navier-Stokes equations. Comparisons between numerical and experimental results are made in two dimensions for free shear layers and a rectangular cavity, and in three dimensions for the transonic aero-window problem of the Stratospheric Observatory for Infrared Astronomy (SOFIA). Results show that dominant acoustic frequencies and magnitudes of the self excited resonant cavity flows compare well with the experiment. In addition, solution sensitivity to artificial dissipation and grid resolution levels are determined. Optical path distortion due to the flow field is modelled geometrically and is found to match the experiment. The fluid field was computed using a diagonalized scheme within an overset mesh framework. An existing code, OVERFLOW, was utilized with the additions of characteristic boundary condition and output routines required for reduction of the unsteady data. The newly developed code is directly applicable to a generalized three dimensional structured grid zone. Details are provided in a paper included in Appendix A.

Atwood, Christopher A.↗

Simulation of an Impact Test of the All-Composite Lear Fan Aircraft

An MSC.Dytran model of an all-composite Lear Fan aircraft fuselage was developed to simulate an impact test conducted at the NASA Langley Research Center Impact Dynamics Research Facility (IDRF). The test was the second of two Lear Fan impact tests. The purpose of the second test was to evaluate the performance of retrofitted composite energy-absorbing floor beams. A computerized photogrammetric survey was performed to provide airframe geometric coordinates, and over 5000 points were processed and imported into MSC.Patran via an IGES file. MSC.Patran was then used to develop the curves and surfaces and to mesh the finite element model. A model of the energy-absorbing floor beams was developed separately and then integrated into the Lear Fan model. Structural responses of components such as the wings were compared with experimental data or previously published analytical data wherever possible. Comparisons with experimental results were used to guide structural model modifications to improve the simulation performance. This process was based largely on qualitative (video and still camera images and post-test inspections) rather than quantitative results due to the relatively few accelerometers attached to the structure.

Stockwell, Alan E.↗

Mesh-free data transfer algorithms for partitioned multiphysics problems: Conservation, accuracy, and parallelism

In this study we analyze and extend mesh-free algorithms for three-dimensional data transfer problems in partitioned multiphysics simulations. We first provide a direct comparison between a mesh-based weighted residual method using the common-refinement scheme and two mesh-free algorithms leveraging compactly supported radial basis functions: one using a spline interpolation and one using a moving least square reconstruction. Through the comparison we assess both the conservation and accuracy of the data transfer obtained from each of the methods. We do so for a varying set of geometries with and without curvature and sharp features and for functions with and without smoothness and with varying gradients. Our results show that the mesh-based and mesh-free algorithms are complementary with cases where each was demonstrated to perform better than the other. We then focus on the mesh-free methods by developing a set of algorithms to parallelize them based on sparse linear algebra techniques. This includes a discussion of fast parallel radius searching in point clouds and restructuring the interpolation algorithms to leverage data structures and linear algebra services designed for large distributed computing environments. The scalability of our new algorithms is demonstrated on a leadership class computing facility using a set of basic scaling studies. Finally, these scaling studies show that for problems with reasonable load balance, our new algorithms for both spline interpolation and moving least square reconstruction demonstrate both strong and weak scalability using more than 100,000 MPI processes with billions of degrees of freedom in the data transfer operation.

97 MATHEMATICS AND COMPUTING↗

PASS Spacecraft Antenna Technology Assessment

The purpose was to generate estimates of mechanical performance for the classes of spacecraft antenna under construction for application to the Personal Access Satellite System (PASS). These performance data are needed for the support of trade studies involving antenna system development. The classes of antenna considered included: (1) rigid non-deployable antenna structures; (2) mechanical deployable antenna concepts; (3) inflatable deployable antenna concepts; and (4) mesh deployable antenna concepts. The estimates of mechanical performance are presented in terms of structural weight and cost as a function of the reflector size. Estimates of aperture surface precision are presented for a few discrete antenna sizes. The range of reflector size is 1 to 4 meters for non-deployable structures and 2 to 8 meters for deployable structures. The range of reflector surface precision is lambda/30 to lambda/50 for 20 and 30 GHz, respectively.

Freeland, R. E.↗

Aeroheating Predictions for a Hypersonic, Turbulent Near-Wake

The accuracy of heating predictions using various turbulence models is examined for an axisymmetric near-wake at Mach 6. The CFD predictions are compared with experimental data collected under AGARD Working Group 18 on the wake of a 70-degree sphere-cone. The impact of grid resolution and discretization error is estimated, which allows a comparison of stacked-block and conventional structured meshes. The accuracy of steady Reynolds-averaged Navier-Stokes (RANS) models is contrasted with that of a hybrid RANS/Large-Eddy Simulation model. The predictions are made with three different CFD codes (LAURA, FUN3D, and HyperSolve), to demonstrate the code-to-code variation in the results. Steady SST models capture the qualitative nature of the heating in the wake, including the increasing peak heating with increasing Reynolds number. Spalart-Allmaras models, including SA-Catris, under-predicted the peak heating in the wake. Hybrid RANS/LES models improve upon the SA results but have their own modeling difficulties near the shear layer impingement. These results are generally consistent across solvers and grid topologies.

RANS↗

Aeroheating Predictions for a Hypersonic, Turbulent Near-Wake

The accuracy of heating predictions using various turbulence models is examined for an axisymmetric near-wake at Mach 6. The CFD predictions are compared with experimental data collected under AGARD Working Group 18 on the wake of a 70-degree sphere-cone. The impact of grid resolution and discretization error is estimated, which allows a comparison of stacked-block and conventional structured meshes. The accuracy of steady Reynolds-averaged Navier-Stokes (RANS) models is contrasted with that of a hybrid RANS/Large-Eddy Simulation model. The predictions are made with three different CFD codes (LAURA, FUN3D, and HyperSolve), to demonstrate the code-to-code variation in the results. Steady SST models capture the qualitative nature of the heating in the wake, including the increasing peak heating with increasing Reynolds number. Spalart-Allmaras models, including SA-Catris, under-predicted the peak heating in the wake. Hybrid RANS/LES models improve upon the SA results but have their own modeling difficulties near the shear layer impingement. These results are generally consistent across solvers and grid topologies.

RANS↗

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 304L Stainless Steel Alloy

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The material of interest here is 304L stainless steel, and the objective of this work is to calibrate thermal-mechanical models: one for the constitutive behavior and another for failure. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of the models. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s. It also included notched tension and shear-dominated compression hat tests specifically designed to calibrate the failure model. All test specimens were extracted from a single piece of plate to maintain consistency. The constitutive model adopted was a modular $J_2$ plasticity model with isotropic hardening that included rate and temperature dependence. A criterion for failure initiation based on a critical value of equivalent plastic strain fitted the failure data appropriately and was adopted. Possible ranges of the values of the parameters of the models were determined partially on historical data from calibrations of the same alloy from other lots and are given here. The calibration of the parameters of the models were based on finite element simulations of the various material tests using relatively ne meshes and hexahedral elements. When using the model in structural finite element calculations, however, element formulations and sizes different from those in the calibration are likely to be used. A brief investigation demonstrated that the failure initiation predictions can be particularly sensitive to the element selection and provided an initial guide to compensate for the effect of element size in a specific example.

36 MATERIALS SCIENCE↗

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↗

The Space-Time Conservation Element and Solution Element Method-A New High-Resolution and Genuinely Multidimensional Paradigm for Solving Conservation Laws: Numerical Simulation of Shock Waves and Contact Discontinuities - 2

Without resorting to special treatment for each individual test case, the 1D and 2D CE/SE shock-capturing schemes described previously (in Part I) are used to simulate flows involving phenomena such as shock waves, contact discontinuities, expansion waves and their interactions. Five 1D and six 2D problems are considered to examine the capability and robustness of these schemes. Despite their simple logical structures and low computational cost (for the 2D CE/SE shock-capturing scheme, the CPU time is about 2 micro-secs per mesh point per marching step on a Cray C90 machine), the numerical results, when compared with experimental data, exact solutions or numerical solutions by other methods, indicate that these schemes can accurately resolve shock and contact discontinuities consistently.

Wang, Xiao-Yen↗

Combustor-Turbine Interactions By Using the Open National Combustion Code (OpenNCC) and the Glenn-HT Code

We develop the methodology of coupling two different computational fluid dynamic (CFD) codes, OpenNCC and Glenn-HT, in order to investigate the unsteady flow fields inside the combustor and around the first-stage stator of a high-pressure turbine (HPT) from the energy efficient engine (E 3 ) program. In our coupling strategy, OpenNCC, a time accurate unstructured mesh multi-phase combustion CFD code, is applied to the combustor region and Glenn-HT, a structured mesh CFD code designed for turbine applications, is utilized inside the HPT region. As a proof of concept, we first simulate the three-dimensional airflow over the backward facing step and compared the predicted pressure coefficient against experimental data. We then considered a Jet-A/Air combustor with the NASA single learn direct injector (LDI) as a reacting flow test case. Here, Glenn-HT is used in the downstream of the combustor and assumes that the working fluid is a single gas (i.e., air) where the properties of the gas are taken from time- and area-averaged values at the combustor exit. A fully coupled combustor-turbine simulation using both OpenNCC and Glenn-HT was conducted on the E 3 combustor and a detailed analysis done pertaining to how a realistic combustor outflow affects migration of hot-streaks and its impact on the aerodynamic behavior inside the HPT. It is found that the combustion dynamics (i.e., the switching main and pilot flame strength) significantly alters the aerodynamic behavior inside the HPT including hot-streak migration. Variations of the temperature and the velocity magnitude in the passage could be up to ±75 and ±15. These large variations are an important part of the combustor-turbine interactions, which are overlooked by a single component simulation of the HPT while imposing the steady inflow boundary condition at the HPT inlet. Finally, it is observed the strong density gradient associated with the hot-streaks and the pressure gradient at the passage significantly enhances the baroclinic torque, affecting the vorticity field.

CFD hot-streaks↗

Analytical and experimental study of vibrations in a gear transmission

An analytical simulation of the dynamics of a gear transmission system is presented and compared to experimental results from a gear noise test rig at NASA Lewis. The analytical procedure developed couples the dynamic behaviors of the rotor-bearing-gear system with the response of the gearbox structure. Transient and steady-state vibrations of the gearbox system are presented in the time and frequency domains. The vibration characteristics of a simple single-mesh-gear noise test rig are modeled. The numerical simulations are compared to experimental data measured under typical operating conditions. The system natural frequencies, peak vibration amplitudes, and gear mesh frequencies are generally in good agreement.

Choy, F. K.↗

Computational Non-Destructive Evaluation Improving Ultrasonic Interrogation of Complex Geometry Composite Parts

Finite element simulation was employed in modeling the ultrasound (UT) pressure pulse propagation through a coupled liquid-composite medium to reproduce experimental data. From the simulation point of view, the proposed approach is challenging when there is a large simulation domain. For example, it is shown that a sub-micron wavelength of an ultrasonic wave requires a mesh size of several microns and this in turn requires significant computational resources, as well as special care in modeling. Some of the simulation results are presented considering that such modeling should reproduce experimental data for a healthy and faulty composite structure with complex geometry. Many possible experimental setups are simulated to demonstrate the non-destructive testing technique. This setup includes the generation of pressure pulse propagating through the tested composite plate and possible scattering by discontinuities (area of different impedance) that may be present in the panel. This scattered pulse together with the baseline pressure pulse generates a signature on the probe element which can be used to locate the position of defects in the structures.

modeling↗