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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Data, figures, animations, and scripts associated with the manuscript "Integrated Effects of Site Hydrology and Vegetation on Exchange Fluxes and Carbon Cycling at the Coastal Terrestrial Aquatic Interface"

This package contains the data, figures, animations, and scripts used in "Integrated Effects of Site Hydrology and Vegetation on Exchange Fluxes and Carbon Cycling at the Coastal Terrestrial Aquatic Interface" (Li et al., 2023). This study examines the interactions between soil, vegetation and hydrologic conditions in coastal areas, with a focus on the Chesapeake Bay region. The researchers used a mechanistic model called ATS-PFLOTRAN to explore how these interactions affect exchange process in different regions and the carbon/nitrogen cycle across the terrestrial-aquatic interface (TAI). Simulation scenarios isolate the effects of control factors and reaction constants derived from laboratory experiments. The results show a carbon cycle "hot zone" in coastal wetlands and in the transition zone between wetlands and uplands. Transpiration enhances fluxes between the surface and subsurface domains and increases dissolved oxygen in TAI. The decomposition of leaf-derived organic carbon provides an additional source of carbon for aerobic respiration and denitrification in the TAI. Microbial activity plays a key role in controlling redox conditions and their variability. This modeling study improves the understanding of complex TAI interactions and facilitates the representation of coastal ecosystems in larger-scale Earth system models.Several files can be found from this data package.1. Readme,md: This file describe the Title, Target Journal, Target submission date, Co-author, Science Questions, Hypotheses, Key words, Key message, Model and Data, Repo Structure. The user can read this file first and then go to details.2. mesh.zip: This file contains the mesh file for simulation cases. 3. Figure.zip: This file contains figures used in the manuscript . 4. animation.zip: This file contains animations used in the manuscript . 5. Data.zip: This file contains all required input data, such as concentration and flow boundaries. Also, it contains the DEM and processes results on area fraction. 6. Simulation_setup_and_results.zip: This file contains setup of cases used in the manuscript . The result files are too large, if you need that data, please contact to the Author. 7. notebooks.zip: This file contains the Jupyter notebooks for performing sensitivity analysis and other pre-process and post-process analyses.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

A unified multigrid solver for the Navier-Stokes equations on mixed element meshes

A unified multigrid solution technique is presented for solving the Euler and Reynolds-averaged Navier-Stokes equations on unstructured meshes using mixed elements consisting of triangles and quadrilaterals in two dimensions, and of hexahedra, pyramids, prisms, and tetrahedra in three dimensions. While the use of mixed elements is by no means a novel idea, the contribution of the paper lies in the formulation of a complete solution technique which can handle structured grids, block structured grids, and unstructured grids of tetrahedra or mixed elements without any modification. This is achieved by discretizing the full Navier-Stokes equations on tetrahedral elements, and the thin layer version of these equations on other types of elements, while using a single edge-based data-structure to construct the discretization over all element types. An agglomeration multigrid algorithm, which naturally handles meshes of any types of elements, is employed to accelerate convergence. An automatic algorithm which reduces the complexity of a given triangular or tetrahedral mesh by merging candidate triangular or tetrahedral elements into quadrilateral or prismatic elements is also described. The gains in computational efficiency afforded by the use of non-simplicial meshes over fully tetrahedral meshes are demonstrated through several examples.

Mavriplis, D. J.↗
NASA NTRS1991

A 3-D upwind Euler solver for unstructured meshes

A three-dimensional finite-volume upwind Euler solver is developed for unstructured meshes. The finite-volume scheme solves for solution variables at vertices of the mesh and satisfies the integral conservation law on nonoverlapping polyhedral control volumes surrounding vertices of the mesh. The schene achieves improved solution accuracy by assuming a piecewise linear variation of the solution in each control volume. This improved spatial accuracy hinges heavily upon the calculation of the solution gradient in each control volume given pointwise values of the solution at vertices of the mesh. Several algorithms are discussed for obtaining these gradients. Details concerning implementation procedures and data structures are discussed. Sample calculations for inviscid Euler flow about isolated aircraft wings at subsonic and transonic speeds are compared with established Euler solvers as well as experiment.

Barth, Timothy J.↗
NASA NTRS1992

AMR on the CM-2

We describe the development of a structured adaptive mesh algorithm (AMR) for the Connection Machine-2 (CM-2). We develop a data layout scheme that preserves locality even for communication between fine and coarse grids. On 8K of a 32K machine we achieve performance slightly less than 1 CPU of the Cray Y-MP. We apply our algorithm to an inviscid compressible flow problem.

Berger, Marsha J.↗
NASA NTRS1992

A 3D finite element multigrid solver for the Euler equations

A low storage, computationally efficient algorithm for the solution of the compressible Euler equations on unstructured tetrahedral meshes is developed. The algorithm takes the form of a centered scheme with the explicit addition of a high accuracy artificial viscosity and the solution is advanced to steady state by means of a multistage timestepping method. The side-based data structure which is employed enables a clear connection to be established between the proposed algorithm and upwind cell vertex schemes for unstructured meshes. The computational efficiency of the procedure is improved by incorporating an unstructured multigrid acceleration procedure. A number of flows of practical interest are analyzed to demonstrate the numerical performance of the proposed approach.

Peraire, J.↗
NASA NTRS2005

Parallel Adaptive Mesh Refinement Library

Parallel Adaptive Mesh Refinement Library (PARAMESH) is a package of Fortran 90 subroutines designed to provide a computer programmer with an easy route to extension of (1) a previously written serial code that uses a logically Cartesian structured mesh into (2) a parallel code with adaptive mesh refinement (AMR). Alternatively, in its simplest use, and with minimal effort, PARAMESH can operate as a domain-decomposition tool for users who want to parallelize their serial codes but who do not wish to utilize adaptivity. The package builds a hierarchy of sub-grids to cover the computational domain of a given application program, with spatial resolution varying to satisfy the demands of the application. The sub-grid blocks form the nodes of a tree data structure (a quad-tree in two or an oct-tree in three dimensions). Each grid block has a logically Cartesian mesh. The package supports one-, two- and three-dimensional models.

Mac-Neice, Peter↗
DOE OSTI2022

Planar 2D wireframe DNA origami

Two-dimensional (2D) DNA origami is widely used for applications ranging from excitonics to single-molecule biophysics. Conventional, single-layer 2D DNA origami exhibits flexibility and curvature in solution; however, that may limit its suitability as a 2D structural template. In contrast, 2D wireframe DNA origami rendered with six-helix bundle edges offers local control over duplex orientations with enhanced in-plane rigidity. Here, we investigate the 3D structure of these assemblies using cryo–electron microscopy (cryo-EM). 3D reconstructions reveal a high degree of planarity and homogeneity in solution for polygonal objects with and without internal mesh, enabling 10-Å resolution for a triangle. Coarse-grained simulations were in agreement with cryo-EM data, offering molecular structural insight into this class of 2D DNA origami. Our results suggest that these assemblies may be valuable for 2D material applications and geometries that require high structural fidelity together with local control over duplex orientations, rather than parallel duplex assembly.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Axom

Axom is an open-source library of "building block" software components that provide core infrastructure capabilities for HPC applications. Such capabilities include: input file parsing and verification for various file formats, format specification for material shape input to multi-material simulations and tools for placing those shapes on meshes, parallel distributed coordination of diagnostic messages, geometric primitives, spatial queries and spatial search acceleration data structures, in memory key-value data store for managing simulation data and parallel file I/O. Axom components are used widely across LLNL Advanced Simulation and Computing program applications. It is also part of the LLNL institutionally-supported RADIUSS project, which promotes and funds its adoption by projects across LLNL.

Zagaris, George↗
DOE OSTI2017

FleCSPH notes

FleCSI is a compile-time con gurable framework designed to support multi-physics application development. As such, FleCSI provides a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. FleCSI currently supports multi-dimensional mesh topology, geometry, and adjacency information, as well as n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures. FleCSI introduces a functional programming model with control, execution, and data abstractions that are consistent both with MPI and with state-of-the-art, task-based runtimes such as Legion and Charm++. The abstraction layer insulates developers from the underlying runtime, while allowing support for multiple runtime systems including conventional models like asynchronous MPI. The intent is to provide developers with a concrete set of user-friendly programming tools that can be used now, while allowing exibility in choosing runtime implementations and optimization that can be applied to future architectures and runtimes. FleCSI's control and execution models provide formal nomenclature for describing poorly understood concepts such as kernels and tasks. FleCSI's data model provides a low-buy-in approach that makes it an attractive option for many application projects, as developers are not locked into particular layouts or data structure representations. FleCSI currently provides a parallel but not distributed implementation of Binary, Quad and Oct-tree topology. This implementation is base on space lling curves domain decomposition, the Morton order. The current FleCSI version requires the implementation of a driver and a specialization driver. The role of the specialization driver is to provide the data distribution. This feature is not complete in FleCSI code and we provide it. The next step will be to incorporate it directly from FleCSPH to FleCSI as we reach a good level of performance. Then the driver represent the general execution of the resolution without worrying of the data locality and communications. As FleCSI is an On-Development code the structure may change in the future and we keep track of these changes in FleCSPH.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Predicting Ice Sheet and Climate Evolution on Extreme Scales (PISCEES) Final Report

Predicting Ice Sheet and Climate Evolution at Extreme Scales (PISCEES) PISCEES is a SciDAC Earth System Modeling project with the following goals: To develop and apply robust, accurate, and scalable dynamical cores for ice sheet modeling on structured and unstructured meshes with adaptive refinements To evaluate ice sheet models using new tools and data sets for verification and validation (V&V) and uncertainty quantification (UQ) To integrate these models and tools into DOE's Accelerated Climate Model for Energy (ACME) using improved estimates of ice sheet initial conditions, we will simulate decade-to-century-scale evolution of the Greenland and Antarctic ice sheets, running PISCEES ice sheet models both in standalone mode and coupled to ACME. We aim to provide useful, credible predictions, including uncertainty ranges, of future ice-sheet mass loss and resulting changes in climate and sea level. PISCEES is jointly funded by the Office of Biological and Environmental Research (BER) and the Office of Advanced Scientific Computing Research (ASCR) of the DOE Office of Science. Participating institutions: Los Alamos National Laboratory (LANL) Lawrence Berkeley National Laboratory (LBNL) Oak Ridge National Laboratory (ORNL) Sandia National Laboratories (SNL) Florida State University (FSU) Massachusetts Institute of Technology (MIT) University of South Carolina (USC) University of Texas at Austin (UT) National Center for Atmospheric Research (NCAR) (https://www.scidac.gov/PISCEES/).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Efficient computation of inviscid flow fields around complex configurations using a multiblock multigrid method

The applicability of a multigrid technique to block-structured, body-fitted meshes is examined focusing on three different strategies. In the first strategy data are exchanged between blocks in each stage of a five-stage Runge-Kutta time-stepping scheme which keeps a possible time lag between blocks to a minimum, but requires a large amount of I/O operations and storage. The second strategy is based on performing a complete Runge-Kutta cycle within a block before switching to the next. In the third strategy both a complete Runge-Kutta cycle and the residual evaluation for the restriction operator are done within a block, allowing a minimum of I/O and storage. The inviscid flow around a wing-body/engine-pylon configuration was computed on a mesh consisting of 11 computational blocks. It was found that both the first and the second strategies delivered converged results, but the third failed due to larger time lag between blocks.

Rossow, C.-C.↗
NASA NTRS1986

Burner liner thermal-structural load modeling

The software package Transfer Analysis Code to Interface Thermal/Structural Problems (TRANCITS) was developed. The TRANCITS code is used to interface temperature data between thermal and structural analytical models. The use of this transfer module allows the heat transfer analyst to select the thermal mesh density and thermal analysis code best suited to solve the thermal problem and gives the same freedoms to the stress analyst, without the efficiency penalties associated with common meshes and the accuracy penalties associated with the manual transfer of thermal data.

Maffeo, R.↗
NASA NTRS1989

Using Patran and Supertab as pre- and postprocessors to COSMIC/NASTRAN

Patran and Supertab are interactive computer graphics pre- and postprocessors that can be used to generate NASTRAN bulk data decks and to visualize results from a NASTRAN analysis. Both of the programs are in use at the Numerical Structural Mechanics Branch of the David Taylor Research Center (DTRC). Various aspects of Patran and Supertab are discussed including: geometry modeling, finite element mesh generation, bulk data deck creation, results translation and visualization, and the user interface. Some advantages and disadvantages of both programs will be pointed out.

Lipman, Robert R.↗
DOE OSTI2022

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗
DOE OSTI2020

Portable interactive visualization of large-scale simulations in geotechnical engineering using Unity3D

Development in large-scale geotechnical engineering simulation places tremendous demand for efficient visualization of such simulation data. This study presents a lightweight software tool, i.e. Geotechnical Interactive Visualization (GIV), as a solution to this challenge, which achieves efficient interactive visualization of large-scale simulations data in geotechnical engineering. Visualization data flow and algorithms specifically optimized for common geotechnical engineering applications are implemented in GIV. GIV can visualize geotechnical structure models with time-varying attributes attached to mesh with fixed topology, and also models with time-varying mesh topologies but no attributes attached, the two most common visualization tasks in geotechnical engineering. Furthermore, challenges for large-scale simulation data visualization, including parallel simulation data redundancy, massive data size, dynamic user interaction, and portability are overcome via specifically designed algorithms for simulation data preprocessing and optimized visualization modules using the powerful 3D rendering and interactive game engine Unity3D. Comparison of GIV with several widely used visualization tools for the visualization of large-scale idealized datasets and realistic geotechnical simulations highlights the visualization efficiency, smooth interactivity, and lightweight features of GIV.

42 ENGINEERING↗
NASA NTRS1990

Unstructured mesh methods for CFD

Mesh generation methods for Computational Fluid Dynamics (CFD) are outlined. Geometric modeling is discussed. An advancing front method is described. Flow past a two engine Falcon aeroplane is studied. An algorithm and associated data structure called the alternating digital tree, which efficiently solves the geometric searching problem is described. The computation of an initial approximation to the steady state solution of a given poblem is described. Mesh generation for transient flows is described.

Peraire, J.↗
NASA NTRS2024

NASA HECC Geometry and Performance Review Part 1: Validation of a Computational Model for the Vaneless Diffuser Configuration with As-Manufactured Impeller Geometry

An investigation of the NASA High Efficiency Centrifugal Compressor (HECC) vaneless diffuser configuration was performed. This multipart investigation presents an extensive validation of the computational model against experimental data. The validated model was then used to explore the effects geometric differences between the as-manufactured and design-intent impellers. Lastly, the validated model was used for comparison against an experimental tip clearance study. Part I of the investigation focused on describing the HECC vaneless computational model and its validation against the experimental data published in GT2023-103128. To generate the model, a verification of the manufactured impeller was performed and was confirmed to match the impeller CAD. Section data from the impeller CAD, referred to as the As-Manufactured geometry, were used for development of the computational model. Steady RANS simulations utilizing the Wilcox K-Omega 98 turbulence model and a multiblock structured mesh were used to conduct a mesh convergence study. The resultant mesh was then used for simulations at both design-speed and off-design speed conditions. The simulations compared well to data in both 1D and 2D terms for the major performance metrics of efficiency, total pressure rise, and total temperature rise. Based on the observed results the model was deemed validated and was used in the latter two parts of the multipart investigation.

centrifugal compressor↗
NASA NTRS1982

LSST (Hoop/Column) Maypole Antenna Development Program, phase 1, part 1

The first of a two-phase program was performed to develop the technology necessary to evaluate, design, manufacture, package, transport and deploy the hoop/column deployable antenna reflector by means of a ground based program. The hoop/column concept consists of a cable stiffened large diameter hoop and central column structure that supports and contours a radio frequency reflective mesh surface. Mission scenarios for communications, radiometer and radio astronomy, were studied. The data to establish technology drivers that resulted in a specification of a point design was provided. The point design is a multiple beam quadaperture offset antenna system wich provides four separate offset areas of illumination on a 100 meter diameter symmetrical parent reflector. The periphery of the reflector is a hoop having 48 segments that articulate into a small stowed volume around a center extendable column. The hoop and column are structurally connected by graphite and quartz cables. The prominence of cables in the design resulted in the development of advanced cable technology. Design verification models were built of the hoop, column, and surface stowage subassemblies. Model designs were generated for a half scale sector of the surface and a 1/6 scale of the complete deployable reflector.

Sullivan, M. R.↗