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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An Adaptive-Mesh-Refinement Based Computational Tool for Simulating Catalysis at Mesoscale

In this work, we present a computational tool for mesoscale applications using open-source exascale- computing compatible adaptive-mesh-refinement (AMR) library, AMReX [2]. AMReX is software library that enables development of application solvers with block-structured Cartesian AMR. Our tool has capabilities to include realistic geometry representation, chemical species transport, reactions and thermodynamics that are critical for capturing mesoscale physics. A significant achievement is the ability of our solver to automatically import electron microscopy data in the form of a stereolithography (STL) or pixelated file format (mrc, tiff) without undergoing the tedious task of unstructured mesh generation. This feature allows for rapid simulation of catalyst particles with complex morphologies using an immersed-boundary formulation. The use of AMR allows for higher resolutions at catalyst surface interfaces, which in turn provides an accurate description of surface reactions and transport. Our solver uses a hybrid distributed and shared memory parallelism (OpenMP/GPU-based) with which strong scaling up to 10,000 processors for realistic catalyst particle simulations have been demonstrated.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗
DOE OSTI2020

EBS Task Force: Task 9/FEBEX Modeling Final Report: Thermo-Hydrological Modeling with PFLOTRAN

This report outlines Sandia National Laboratories modeling studies applied to Stage 1 and Stage 2 of the Full-scale Engineered Barriers Experiment in Crystalline Host Rock (FEBEX) in situ test for the SKB EBS Task Force Task 9. The FEBEX test was a full-scale test conducted over ~18 years at the Grimsel, Switzerland Underground Research Laboratory (URL) managed by NAGRA. It involved emplacing simulated waste packages, in the form of welded cylindrical heaters, inside a tunnel in crystalline granitic rock and surrounded by a bentonite barrier and cement plug. Sensors emplaced within the bentonite monitored the wetting-up, heating, and drying out of the bentonite barrier, and the large resulting data set provides an excellent opportunity for validation of multiphysics Thermal-Hydrological (TH), Thermal-Hydrologic-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) modeling approaches for underground nuclear waste storage and the performance of engineered bentonite barriers. The present status of the EBS Task Force is finalizing Task 9, which follows years of modeling studies of the FEBEX test, by many notable modeling teams (Gens et al., 2009; Sanchez et al. 2010; 2012; Samper et al., 2018). These modeling studies generally use two-dimensional axisymmetric meshes, ignoring threedimensional effects, gravity and asymmetric wetting and dry out of the bentonite engineered barrier. This study investigates these effects with use of the PFLOTRAN THC code with massively parallel computational methods in modeling FEBEX Stage 1 and Stage 2 results. The PFLOTRAN numerical code is an open source, state-of-the-art, massively parallel subsurface flow and reactive transport code operating in a high-performance computing environment (Hammond et al., 2014). Section 2 describes the applied partial differential equations describing mass, momentum and energy balance used in this study, considerations derived by assuming phase equilibrium between gas and liquid phases, constitutive equations for granite, cement plug, and bentonite domains, and specific approaches for use inthe PFLOTRAN code. Section 3 describes the geometry, meshing, and model set-up. Section 4 describes modeling results, Section 5 compares modeling results to field testing data, and Section 6 gives conclusions. The Appendix provides detailed information required by the EBSTask Force for final reporting.

42 ENGINEERING↗
DOE OSTI2017

Evaluating the Practicability of Multiphase CFD for BWR Fuel Assembly Analysis

Multiphase computational fluid dynamics (M-CFD) models of a boiling water reactor (BWR) fuel assembly have been generated in the commercial CFD code, STAR-CCM+ Ver.11.04.010-R8. The Eulerian multiphase approach was employed, in combination with a baseline ‘Zero Closure model’ for two-phase flow boiling, applicable to high void fraction regimes. The capability and practicability of MCFD for BWR fuel assembly were evaluated against the international OECD/NRC BWR Full-size Finemesh Bundle Test (BFBT) benchmark data. The benchmark selected, BFBT-4101-61, is a steady-state full power case, with high void fraction conditions. Geometrical modeling and mesh construction of BWR assemblies introduce challenges in generating high quality computational meshes, while retaining a low cell count to allow acceptable runtimes. In order to evaluate the scalability of the CFD code, parallel CFD simulations were carried out with the High Performance Computing (HPC) system of the Idaho National Laboratory. M-CFD results display good agreement with the experimental data for both local void fraction distribution and exit quality. The parallel speedup factor is linearly proportional to the number of processors up to 500 cores, and retains over 92% efficiency with 1000 cores. The execution time of the simulation decreased exponentially with increasing number of processors while the cost of the simulation increased linearly. The proposed baseline closure, in combination with the parallel performance of the STAR-CCM+ code demonstrated promising capabilities for analyzing BWR fuel assemblies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

CHESS 2025: Orthorectified airborne RGB imagery from NEON AOP surveys

This dataset provides Level 1 (L1) and Level 3 (L3) orthorectified Red-Green-Blue (RGB) imagery collected for the 2025 Colorado Headwaters Ecological Spectroscopy Study (CHESS). This high-resolution imagery is a photographic record of red, green, and blue visible light from sunlight reflected off of the Earth’s surface. The data comprise full-color images of the ground surface and are primarily intended to provide context to imaging spectroscopy and light detection and ranging (LiDAR) data. The data were acquired over three study domains in the Upper Gunnison river basin: the upper East River watershed (CRBU); Almont Triangle and Taylor Canyon (ALMO); and Upper Taylor River watershed (UPTA) between 2025-06-13 and 2025-07-15. RGB images were acquired using the PhaseOne IXM-RS150F high-resolution digital camera onboard the National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP). The package data include both an L1 product comprising one camera frame per file and an L3 mosaic aligned to the Universal Transverse Mercator (UTM) Zone 13N grid and the World Geodetic System (WGS) 84 projection. Both products are provided in geotif (.tif) format at 0.1 m ground resolution. The bulk of the imagery was collected during the main CHESS field campaign from June 13 to July 15, 2025. Additional images of a portion of the Upper Taylor (UPTA) domain were collected on September 18, 2025, to fill gaps in imagery identified after the main campaign was complete. RGB camera imagery is not radiometrically calibrated, and therefore pixel values should not be exploited for scientific analysis. Pixel values have undergone a manual adjustment to enhance feature identification. The imagery is rigorously geolocated which does allow for reliable geometric information to be retrieved. To generate the orthorectified imagery, the NEON AOP camera captured visible spectrum in red, green, and blue bands. The raw images were then processed using NEON’s camera orthorectification workflow. A boresight calibration flight was made to build a complete camera, distortion, and alignment model. Color balance/white balance and exposure correction were applied to the raw RGB images. The corrected images were orthorectified by ray-tracing image pixels to a lidar-derived digital surface model (DSM) mesh using the refined camera model, outputting orthorectified raster pixels on a regular grid. Flightline-level data were mosaicked by selecting per-pixel contributions from overlapping orthorectified images using line-of-sight (LOS) zenith angle minimization to reduce edge distortions. CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

2018 NEON and 2025 CHESS Campaigns↗
DOE OSTI2016

Combined near- and far-field high-energy diffraction microscopy dataset for Ti-7Al tensile specimen elastically loaded in situ

High-energy diffraction microscopy (HEDM) constitutes a suite of combined X-ray characterization methods, which hold the unique advantage of illuminating the microstructure and micromechanical state of a material during concurrent in situ mechanical deformation. The data generated from HEDM experiments provides a heretofore unrealized opportunity to validate meso-scale modeling techniques, such as crystal plasticity finite element modeling (CPFEM), by explicitly testing the accuracy of these models at the length scales where the models predict their response. Combining HEDM methods with in situ loading under known and controlled boundary conditions represents a significant challenge, inspiring the recent development of a new high-precision rotation and axial motion system for simultaneously rotating and axially loading a sample. In this paper, we describe the initial HEDM dataset collected using this hardware on an alpha-titanium alloy (Ti-7Al) under in situ tensile deformation at the Advanced Photon Source, Argonne National Laboratory. We present both near-field HEDM data that maps out the grain morphology and intragranular crystallographic orientations and far-field HEDM data that provides the grain centroid, grain average crystallographic orientation, and grain average elastic strain tensor for each grain. Finally, we provide a finite element mesh that can be utilized to simulate deformation in the volume of this Ti-7Al specimen.

36 MATERIALS SCIENCE↗
DOE OSTI2015

BALANCING THE LOAD: A VORONOI BASED SCHEME FOR PARALLEL COMPUTATIONS

One of the key issues when running a simulation on multiple CPUs is maintaining a proper load balance throughout the run and minimizing communications between CPUs. We propose a novel method of utilizing a Voronoi diagram to achieve a nearly perfect load balance without the need of any global redistributions of data. As a show case, we implement our method in RICH, a two-dimensional moving mesh hydrodynamical code, but it can be extended trivially to other codes in two or three dimensions. Our tests show that this method is indeed efficient and can be used in a large variety of existing hydrodynamical codes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Effect of the J-Shaped Wind Turbine Airfoil Opening Ratio and Thickness on the Performance of Symmetrical Airfoils

Abstract In this work, the effect of the inner opening ratio on the J-shaped airfoils aerodynamic performance was studied and documented for symmetrical airfoils. Three different airfoil thicknesses were investigated: small (NACA0008), medium (NACA0015), and large (NACA0024). For each airfoil thickness, effects of three inner opening ratios were analyzed: one-third, one-half, and two-thirds. The performance of each opening ratio was compared with the performance of the solid airfoil “zero opening ratio” for different angles of attack between 5 deg and 20 deg. All designs were simulated using the computational fluid dynamics (CFD) technology against experimental results for solid NACA4412 airfoil in the University of Wisconsin-Milwaukee (UWM) wind tunnel facility and other published experimental data. It was found that large eddy simulation yields accurate solutions with a smaller number of mesh cells compared to the k–ω turbulence model but with much longer computational time. The lift-to-drag ratio for all studied airfoils has a maximum value for solid airfoils compared to those equipped with openings. For airfoils equipped with 00.00% opening ratio “solid,” NACA0015 airfoil has the maximum lift-to-drag ratio. Furthermore, it was found that NACA0008 equipped with a 33.33% opening ratio has the best performance of all studied J-shaped airfoils.

Energy & Fuels↗
DOE OSTI2019

Assessment of the Available Drawdowns for Oil Storage Caverns at the Big Hill SPR Site - Cavern Integrity

This report updates the estimated values of the baseline available drawdowns for the caverns at the Big Hill storage facility, and an updated table listing the available drawdowns. A new finite element numerical analysis model was constructed that consists of a realistic mesh capturing the sonar-measured geometries of Big Hill SPR site and used the daily data of actual wellhead pressures and oil-brine interfaces. The number of available drawdowns for each of the Big Hill SPR caverns is estimated using the new model. All caverns are predicted to have five available drawdowns remaining from a geomechanical perspective. BC-101, 105, and 110 have a region of concern at the floor edge and/or sloping floor, where tensile and dilatant stresses are predicted to occur during each workover. The tensile state is predicted to occur because of the geometries of the edge and floor. Therefore, geomechanical examination for three caverns would be recommended after a drawdown leach. The well integrity of each cavern is not investigated in this report. The estimate of the number of baseline available drawdowns for the Big Hill caverns in this report will be incorporated in future assessments of the available drawdowns for all the SPR caverns. The estimates for the number of baseline available drawdowns are subject to change in the future as the knowledge of physical phenomena at the sites, and the further development of the models of geomechanical behavior at the sites, evolve over time.

02 PETROLEUM↗
NASA NTRS1987

The NESSUS finite element code

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

Dias, J. B.↗
NASA NTRS1988

Rotating hot-wire investigation of the vortex responsible for blade-vortex interaction noise

This distribution of the circumferential velocity of the vortex responsible for blade-vortex interaction noise was measured using a rotating hot-wire rake synchronously meshed with a model helicopter rotor at the blade passage frequency. Simultaneous far-field acoustic data and blade differential pressure measurements were obtained. Results show that the shape of the measured far-field acoustic blade-vortex interaction signature depends on the blade-vortex interaction geometry. The experimental results are compared with the Widnall-Wolf model for blade-vortex interaction noise.

Fontana, Richard Remo↗
DOE OSTI2015

Impact of modeling Choices on Inventory and In-Cask Criticality Calculations for Forsmark 3 BWR Spent Fuel

Simulation of boiling water reactor (BWR) fuel depletion poses a challenge for nuclide inventory validation and nuclear criticality safety analyses. This challenge is due to the complex operating conditions and assembly design heterogeneities that characterize these nuclear systems. Fuel depletion simulations and in-cask criticality calculations are affected by (1) completeness of design information, (2) variability of operating conditions needed for modeling purposes, and (3) possible modeling choices. These effects must be identified, quantified, and ranked according to their significance. This paper presents an investigation of BWR fuel depletion using a complete set of actual design specifications and detailed operational data available for five operating cycles of the Swedish BWR Forsmark 3 reactor. The data includes detailed axial profiles of power, burnup, and void fraction in a very fine temporal mesh for a GE14 (10×10) fuel assembly. The specifications of this case can be used to assess the impacts of different modeling choices on inventory prediction and in-cask criticality, specifically regarding the key parameters that drive inventory and reactivity throughout fuel burnup. This study focused on the effects of the fidelity with which power history and void fraction distributions are modeled. The corresponding sensitivity of the reactivity in storage configurations is assessed, and the impacts of modeling choices on decay heat and inventory are addressed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation

We present a case study of catalytic propane dehydrogenation with our open-source multiphysics solver, Mesoflow. The solver was developed to simulate reactive flow coupled to heterogeneous catalytic reactions and deactivation in the context of complex, mesoscale geometry. The method leverages cartesian block-structured adaptive mesh refinement to capture realistic catalyst microstructural features acquired directly from X-ray computed tomography data. A kinetic model for propane dehydrogenation and catalyst deactivation was developed based on temporal analysis of products (TAP) reactor experiments. The TAP reactor experiments allow for precise characterization of intrinsic kinetic reaction steps which are implemented into Mesoflow simulations to model the spatial and temporal evolution of reactants, products, and catalyst active sites. The short-term and long-term deactivation behavior is studied by using XCT data collected from fresh and aged catalyst pellets, which exhibit different microstructural features. This study employs time-splitting algorithms to connect disparate reaction and flow timescales, enabling the simulations to achieve realistic deactivation timescales on the order of minutes while the flow time-scales for small particles (100 microns) are several milliseconds. We also introduce a flexible automated python script that writes the necessary files to construct a Mesoflow simulation from user-created chemical mechanisms. We will also introduce a few new features that are added to Mesoflow such as higher order schemes, implicit chemistry integrators and the ability to run on AMD and NVIDIA graphics-processing-units.

AMReX↗
DOE OSTI2015

Impact of modeling choices on inventory and in-cask criticality calculations for FORSMARK 3 BWR spent fuel - 14441

Simulation of boiling water reactor (BWR) fuel depletion poses a challenge for nuclide inventory validation and nuclear criticality safety analyses. This challenge is due to the complex operating conditions and assembly design heterogeneities that characterize these nuclear systems. Fuel depletion simulations and in-cask criticality calculations are affected by (1) completeness of design information, (2) variability of operating conditions needed for modeling purposes, and (3) possible modeling choices. These effects must be identified, quantified, and ranked according to their significance. This paper presents an investigation of BWR fuel depletion using a complete set of actual design specifications and detailed operational data available for five operating cycles of the Swedish BWR Forsmark 3 reactor. The data includes detailed axial profiles of power, burnup, and void fraction in a very fine temporal mesh for a GE14 (10x10) fuel assembly. The specifications of this case can be used to assess the impacts of different modeling choices on inventory prediction and in-cask criticality, specifically regarding the key parameters that drive inventory and reactivity throughout fuel burnup. This study focused on the effects of the fidelity with which power history and void fraction distributions are modeled. The corresponding sensitivity of the reactivity in storage configurations is assessed, and the impacts of modeling choices on decay heat and inventory are addressed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

mesoflow [SWR-22-56]

Mesoflow is a continuum scale simulation tool developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex surface morphologies (of catalysts/biomass particles among others) directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous 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 (GPU) compared to a single processor for representative problem sizes (2 million cell mesh).

Sitaraman, Hariswaran↗
DOE OSTI2015

Large eddy simulation of a turbulent non-reacting spray jet

We performed Large Eddy Simulation (LES) of a turbulent non-reacting n-Heptane spray jet, referred to as Spray H in the Engine Combustion Network (ECN), and executed a data analysis focused on key LES metrics such as fraction of resolved turbulent kinetic energy and similarity index. In the simulation, we used the dynamic structure model for the sub-grid stress, and the Lagrangian-based spray-parcel models coupled with the blob-injection model. The finest mesh-cell size used was characterized by an Adaptive Mesh Refinement (AMR) cell size of 0.0625 mm. To obtain ensemble statistics, we performed 28 numerical realizations of the simulation. Demonstrated by the comparison with experimental data in a previous study [7], this LES has accurately predicted global quantities, such as liquid and vapor penetrations. The analysis in this work shows that 14 realizations of LES are sufficient to provide a reasonable representation of the average flow behavior that is benchmarked against the 28-realization ensemble. With the current mesh, numerical schemes, and sub-grid scale turbulence model, more than 95% of the turbulent kinetic energy is directly resolved in the flow regions of interest. The large-scale flow structures inferred from a statistical analysis reveal a region of disorganized flow around the peripheral region of the spray jet, which appears to be linked to the entrainment process.

Hu, Bing↗
DOE OSTI2015

LES of Diesel and Gasoline Sprays with Validation against X-Ray Radiography Data

This paper focuses on detailed numerical simulations of direct injection diesel and gasoline sprays from production grade, multi-hole injectors. In a dual-fuel engine the direct injection of both the fuels can facilitate appropriate mixture preparation prior to ignition and combustion. Diesel and gasoline sprays were simulated using high-fidelity Large Eddy Simulations (LES) with the dynamic structure sub-grid scale model. Numerical predictions of liquid penetration, fuel density distribution as well as transverse integrated mass (TIM) at different axial locations versus time were compared against x-ray radiography data obtained from Argonne National Laboratory. A necessary, but often overlooked, criterion of grid-convergence is ensured by using Adaptive Mesh Refinement (AMR) for both diesel and gasoline. Nine different realizations were performed and the effects of random seeds on spray behavior were investigated. Additional parametric studies under different ambient and injection conditions were performed to study their influence on global and local flow structures for gasoline sprays. It is concluded that LES can generally well capture all experimental trends and comes close to matching the x-ray data. Discrepancies between experimental and simulation results can be correlated to uncertainties in boundary and initial conditions such as rate of injection and spray and turbulent dispersion sub-model constants.

Wang, Zihan↗
DOE OSTI2017

Local-Scale Simulations of Nucleate Boiling on Micrometer Featured Surfaces: Preprint

A high-fidelity computational fluid dynamics (CFD)-based model for bubble nucleation of the refrigerant HFE7100 on micrometer-featured surfaces is presented in this work. The single-fluid incompressible Navier-Stokes equations, along with energy transport and natural convection effects are solved on a featured surface resolved grid. An a priori cavity detection method is employed to convert raw profilometer data of a surface into well-defined cavities. The cavity information and surface morphology are represented in the CFD model by geometric mesh deformations. Surface morphology is observed to initiate buoyancy-driven convection in the liquid phase, which in turn results in faster nucleation of cavities. Simulations pertaining to a generic rough surface show a trend where smaller size cavities nucleate with higher wall superheat. This local-scale model will serve as a self-consistent connection to larger device scale continuum models where local feature representation is not possible.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

A structured multi-block solution-adaptive mesh algorithm with mesh quality assessment

The dynamic solution adaptive grid algorithm, DSAGA3D, is extended to automatically adapt 2-D structured multi-block grids, including adaption of the block boundaries. The extension is general, requiring only input data concerning block structure, connectivity, and boundary conditions. Imbedded grid singular points are permitted, but must be prevented from moving in space. Solutions for workshop cases 1 and 2 are obtained on multi-block grids and illustrate both increased resolution of and alignment with the solution. A mesh quality assessment criteria is proposed to determine how well a given mesh resolves and aligns with the solution obtained upon it. The criteria is used to evaluate the grid quality for solutions of workshop case 6 obtained on both static and dynamically adapted grids. The results indicate that this criteria shows promise as a means of evaluating resolution.

Ingram, Clint L.↗