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NASA NTRS1997

Three-Dimensional Viscous Alternating Direction Implicit Algorithm and Strategies for Shape Optimization

A gradient-based shape optimization based on quasi-analytical sensitivities has been extended for practical three-dimensional aerodynamic applications. The flow analysis has been rendered by a fully implicit, finite-volume formulation of the Euler and Thin-Layer Navier-Stokes (TLNS) equations. Initially, the viscous laminar flow analysis for a wing has been compared with an independent computational fluid dynamics (CFD) code which has been extensively validated. The new procedure has been demonstrated in the design of a cranked arrow wing at Mach 2.4 with coarse- and fine-grid based computations performed with Euler and TLNS equations. The influence of the initial constraints on the geometry and aerodynamics of the optimized shape has been explored. Various final shapes generated for an identical initial problem formulation but with different optimization path options (coarse or fine grid, Euler or TLNS), have been aerodynamically evaluated via a common fine-grid TLNS-based analysis. The initial constraint conditions show significant bearing on the optimization results. Also, the results demonstrate that to produce an aerodynamically efficient design, it is imperative to include the viscous physics in the optimization procedure with the proper resolution. Based upon the present results, to better utilize the scarce computational resources, it is recommended that, a number of viscous coarse grid cases using either a preconditioned bi-conjugate gradient (PbCG) or an alternating-direction-implicit (ADI) method, should initially be employed to improve the optimization problem definition, the design space and initial shape. Optimized shapes should subsequently be analyzed using a high fidelity (viscous with fine-grid resolution) flow analysis to evaluate their true performance potential. Finally, a viscous fine-grid-based shape optimization should be conducted, using an ADI method, to accurately obtain the final optimized shape.

Pandya, Mohagna J.↗

NASA NTRS2003

Mixing and Transport in the Solar Nebula

Boss & Vanhala (2000, 2001) prepared reviews of triggered collapse and injection models, using Prudence Foster's finite differences code at very high spatial resolution (440 x 1440 cells) to demonstrate the convergence of the R-T fingers in triggered injection models. A two dimensional hydrodynamical calculation with unprecedentedly high spatial resolution (960 x 2880 zones, or almost 3 million grid points) demonstrated that it suitable shock front can both trigger the collapse of an otherwise stable presolar cloud, and inject shock front particles into the collapsing cloud through the formation of what become Rayleigh-Taylor fingers of compressed fluid layers falling into the gravitational potential well of the growing protostar. These calculations suggest that heterogeneity derived from these R-T fingers will persist down to the scale of their injection onto the surface of the solar nebula. Haghighipour developed a numerical code capable of calculating the orbital evolution of dust grains of varied sizes in a gaseous nebula, subject to Epstein and Stokes drag as well as the self-gravity of the disk. In collaboration with the PI and George W. Wetherill, Haghighipour has been involved in development of a new idea on the possibility of rapid formation of ice giant planets via the disk instability mechanism. Haghighipour studied the stability of a five-body system consisting of the Sun and four protoplanets by numerically integrating their equations of motions. Using Levison and Duncan s SWIFT integrator, Haghighipour showed that, depending on the orbital parameters of the bodies, such a system can be stable for 0.1-10 Myr. Time periods of 1 Myr or more are long enough to be consistent with the time scale proposed for the formation of giant planets by the disk instability mechanism and the photoevaporation of the gaseous envelopes of the outermost protoplanets by a nearby OB star, resulting in the formation of ice giant planets. The PI has used his three dimensional models of marginally gravitationally unstable disks to study the preservation of isotopic heterogeneity in evolving protoplanetary disks. Such heterogeneity might arise from the infall onto the disk s surface of solids processed in the X-wind region of the disk, or derived from stellar nucleosynthesis and injected by R-T fingers. The technique used consists of solving a color equation, identical to the gas continuity equation, which follows the time evolution in three space dimensions of an arbitrarily placed initial color field, i.e., a dye inserted the disk. The models show that significant concentrations of color could persist for time periods of about a thousand years or more, even in the most dynamically active region of such a disk. Such a time period might be long enough for solids to coagulate and grow to significant sizes while retaining the isotopic signature of their birth region in the nebula.

Boss, Alan P.↗

NASA NTRS2004

Surface Modeling and Grid Generation for Iced Airfoils (SmaggIce)

Many of the troubles associated with problem solving are alleviated when there is a model that can be used to represent the problem. Through the Advanced Graphics and Visualization (G-VIS) Laboratory and other facilities located within the Research Analysis Center, the Computer Services Division (CSD) is able to develop and maintain programs and software that allow for the modeling of various situations. For example, the Icing Research Branch is devoted to investigating the effect of ice that forms on the wings and other airfoils of airplanes while in flight. While running tests that physically generate ice and wind on airfoils within the laboratories and wind tunnels on site are done, it would be beneficial if most of the preliminary work could be done outside of the lab. Therefore, individuals from within CSD have collaborated with Icing Research in order to create SmaggIce. This software allows users to create ice patterns on clean airfoils or open files containing a variety of icing situations, manipulate and measure these forms, generate, divide, and merge grids around these elements for more explicit analysis, and specify and rediscretize subcurves. With the projected completion date of Summer 2005, the majority of the focus of the Smagglce team is user-functionality and error handling. My primary responsibility is to test the Graphical User Interface (GUI) in SmaggIce in order to ensure the usability and verify the expected results of the events (buttons, menus, etc.) within the program. However, there is no standardized, systematic way in which to test all the possible combinations or permutations of events, not to mention unsolicited events such as errors. Moreover, scripting tests, if not done properly and with a view towards inevitable revision, can result in more apparent errors within the software and in effect become useless whenever the developers of the program make a slight change in the way a specific process is executed. My task therefore requires a brief yet intense study into GUI coverage criteria and creating algorithms for GUI implementation. Nevertheless, there are still heavily graphical features of SmaggIceSmaggIce that must be either corrected or redesigned before its release. A particular feature of SmaggIce is the ability to smooth out curves created by control points that form an arbitrary shape into something more acquiescent to gridding (while maintaining the integrity of the data). This is done by a mathematical model known as Non-Uniform Rational B-Spline (NURBS) curves. Existing NURBS code is written in FORTRAN-77 with static arrays for holding information. My new assignment is to allow for dynamic memory allocation within the code and to make it possible for the developers to call out functions from the NURBS code using C.

Hammond, Brandy M.↗

NASA NTRS2013

Improving NASA's Multiscale Modeling Framework for Tropical Cyclone Climate Study

One of the current challenges in tropical cyclone (TC) research is how to improve our understanding of TC interannual variability and the impact of climate change on TCs. Recent advances in global modeling, visualization, and supercomputing technologies at NASA show potential for such studies. In this article, the authors discuss recent scalability improvement to the multiscale modeling framework (MMF) that makes it feasible to perform long-term TC-resolving simulations. The MMF consists of the finite-volume general circulation model (fvGCM), supplemented by a copy of the Goddard cumulus ensemble model (GCE) at each of the fvGCM grid points, giving 13,104 GCE copies. The original fvGCM implementation has a 1D data decomposition; the revised MMF implementation retains the 1D decomposition for most of the code, but uses a 2D decomposition for the massive copies of GCEs. Because the vast majority of computation time in the MMF is spent computing the GCEs, this approach can achieve excellent speedup without incurring the cost of modifying the entire code. Intelligent process mapping allows differing numbers of processes to be assigned to each domain for load balancing. The revised parallel implementation shows highly promising scalability, obtaining a nearly 80-fold speedup by increasing the number of cores from 30 to 3,335.

tropical cyclone interannual variability↗

NASA NTRS2008

Time-Dependent Erosion of Ion Optics

The accurate prediction of thruster life requires time-dependent erosion estimates for the ion optics assembly. Such information is critical to end-of-life mechanisms such as electron backstreaming. CEX2D was recently modified to handle time-dependent erosion, double ions, and multiple throttle conditions in a single run. The modified code is called "CEX2D-t". Comparisons of CEX2D-t results with LDT and ELT post-tests results show good agreement for both screen and accel grid erosion including important erosion features such as chamfering of the downstream end of the accel grid and reduced rate of accel grid aperture enlargement with time.

ion thrusters↗

NASA NTRS2018

GEOS-5 Seasonal Forecast System: ENSO Prediction Skill and Bias

The GEOS-5 AOGCM known as S2S-1.0 has been in service from June 2012 through January 2018 (Borovikov et al. 2017). The atmospheric component of S2S-1.0 is Fortuna-2.5, the same that was used for the Modern-Era Retrospective Analysis for Research and Applications (MERRA), but with adjusted parameterization of moist processes and turbulence. The ocean component is the Modular Ocean Model version 4 (MOM4). The sea ice component is the Community Ice CodE, version 4 (CICE). The land surface model is a catchment-based hydrological model coupled to the multi-layer snow model. The AGCM uses a Cartesian grid with a 1 deg × 1.25 deg horizontal resolution and 72 hybrid vertical levels with the upper most level at 0.01 hPa. OGCM nominal resolution of the tripolar grid is 1/2 deg, with a meridional equatorial refinement to 1/4 deg. In the coupled model initialization, selected atmospheric variables are constrained with MERRA. The Goddard Earth Observing System integrated Ocean Data Assimilation System (GEOS-iODAS) is used for both ocean state and sea ice initialization. SST, T and S profiles and sea ice concentration were assimilated.

GEOS-↗

NASA NTRS2019

Computational Study of the Side-By-Side Urban Air Taxi Concept

High-fidelity computational fluid dynamics simulations of NASA’s Side-by-side air taxi concept have been carried out. The three-dimensional unsteady Navier-Stokes equations are solved on overset grids using high-order accurate schemes, dual-time stepping, and a hybrid turbulence model. The flow solver has been loosely coupled with a helicopter comprehensive analysis code in order to get the trimmed flight solution. The vehicle simulated is a six-passenger side-by-side intermeshing rotor helicopter with hybrid propulsion for air taxi operations, also known as urban air mobility applications. This concept vehicle is intended to focus and guide NASA research activities in support of aircraft development for emerging aviation markets, in particular vertical take-off and landing air taxi operations.

Ventura Diaz, Patricia↗

NASA NTRS2021

3D Cloud Tomography and Droplet Size Retrieval from Multi-Angle Polarimetric Imaging of Scattered Sunlight from Above

Tomography aims to recover a three-dimensional (3D) density map of a medium or an object. In medical imaging,it is extensively used for diagnostics via X-ray computed tomography (CT). We define and derive a tomographyof cloud droplet distributions via passive remote sensing. We use multi-view polarimetric images to fit a 3Dpolarized radiative transfer (RT) forward model. Our motivation is 3D volumetric probing of vertically-developedconvectively-driven clouds that are ill-served by current methods in operational passive remote sensing. Currenttechniques are indeed based on strictly 1D RT modeling and applied to a single cloudy pixel, where cloud geometrydefaults to that of a plane-parallel slab. Incident unpolarized sunlight, once scattered by cloud droplets, changesits polarization state according to droplet size. Therefore, polarimetric measurements in the rainbow and gloryangular regions can be used to infer the droplet size distribution. This work defines and derives a framework for afull 3D tomography of cloud droplets for both their mass concentration in space and their distribution across arange of sizes. This gridded 3D retrieval of key microphysical properties is made tractable by our novel approachthat involves a restructuring and partial linearization of an open-source polarized 3D RT code to accommodate aspecial two-step iterative optimization technique. Physically-realistic synthetic clouds are used to demonstrate themethodology with rigorous uncertainty quantification, while a real-world cloud imaged by AirMSPI is processedto illustrate the new remote sensing capability

Schechner, Yoav Y.↗

NASA NTRSDate not supplied

Fusing Surface BRDF from Geostationary and Polar-Orbiting Satellite Sensors

The bi-directional reflectance distribution function (BRDF) describes the fundamental optical property of a surface and therefore has been retrieved from both geostationary (GEO) and polar-orbiting (or Low-Earth Orbit, LEO) satellite observations. In theory, although GEO and LEO observations feature different illumination-view geometries, they reflect the same physical property and the retrieved BRDF should be mutually consistent. This fact also suggests that we may derive a better BRDF product by synergistically fusing the GEO and LEO datasets. Here we demonstrate the idea by fusing Terra/Aqua MODIS and GOES16/17 ABI surface BRDF with the Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm. Our processing is implemented in two steps. First, we compile and project both MODIS and ABI data on the same GeoNEX common grid, and then use the MODIS MAIAC BRDF (MCD19A3) as the prior information to perform atmospheric correction of ABI data and retrieve surface BRDF with the ABI MAIAC code. In the second step, we run the MAIAC code in the forward mode to simulate MODIS and ABI TOA radiances from the jointly retrieved surface BRDF and the corresponding illumination-view geometries. By comparing the simulated TOA radiances with corresponding observations (e.g., MOD02 and ABI05), we can quantitatively evaluate whether the jointly retrieved ABI surface BRDF improves over the separately retrieved MODIS and ABI BRDF products. We expect that the jointly retrieved BRDF data are more robust than the standard products and can help us reduce uncertainties in higher-level earth observation satellite products.

Geostationary satellite↗

NASA NTRS2001

Development of an Unstructured Mesh Code for Flows About Complete Vehicles

This report describes the research work undertaken at the Massachusetts Institute of Technology, under NASA Research Grant NAG4-157. The aim of this research is to identify effective algorithms and methodologies for the efficient and routine solution of flow simulations about complete vehicle configurations. For over ten years we have received support from NASA to develop unstructured mesh methods for Computational Fluid Dynamics. As a result of this effort a methodology based on the use of unstructured adapted meshes of tetrahedra and finite volume flow solvers has been developed. A number of gridding algorithms, flow solvers, and adaptive strategies have been proposed. The most successful algorithms developed from the basis of the unstructured mesh system FELISA. The FELISA system has been extensively for the analysis of transonic and hypersonic flows about complete vehicle configurations. The system is highly automatic and allows for the routine aerodynamic analysis of complex configurations starting from CAD data. The code has been parallelized and utilizes efficient solution algorithms. For hypersonic flows, a version of the code which incorporates real gas effects, has been produced. The FELISA system is also a component of the STARS aeroservoelastic system developed at NASA Dryden. One of the latest developments before the start of this grant was to extend the system to include viscous effects. This required the development of viscous generators, capable of generating the anisotropic grids required to represent boundary layers, and viscous flow solvers. We show some sample hypersonic viscous computations using the developed viscous generators and solvers. Although this initial results were encouraging it became apparent that in order to develop a fully functional capability for viscous flows, several advances in solution accuracy, robustness and efficiency were required. In this grant we set out to investigate some novel methodologies that could lead to the required improvements. In particular we focused on two fronts: (1) finite element methods and (2) iterative algebraic multigrid solution techniques.

Peraire, Jaime↗

DOE OSTI2024

Improving the precision of forces in real-space pseudopotential density functional theory

The high-order finite difference real-space pseudopotential density functional theory (DFT) approach is a valuable method for large-scale, massively parallel DFT calculations. A significant challenge in the approach is the oscillating “egg-box” error introduced by aliasing associated with a coarse grid spacing. To address this issue while minimizing computational cost, we developed a finite difference interpolation (FDI) scheme [Roller et al., J. Chem. Theory Comput. 19, 3889 (2023)] as a means of exploiting the high resolution of the pseudopotential to reduce egg-box effects systematically. Here, we show an implementation of this method in the PARSEC code and examine the practical utility of the combination of FDI with additional methods for improving force precision and/or reducing its computational cost, including orbital-based forces, compensating charges (namely, adding and subtracting a judiciously chosen charge density such that the total density is unaltered), and a modified spatial domain in which the real-space grid is defined. Using selected small molecules, as well as metallic Li, as test cases, we show that a combination of all four aspects leads to a significant reduction in computational cost while retaining a high level of precision that supports accurate structures and vibrational spectra, as well as stable and accurate molecular dynamics runs.

Chemistry↗

NASA NTRS1992

Fully energy-dependent HZETRN (a galactic cosmic-ray transport code)

For extended manned space missions, the radiation shielding design requires efficient and accurate cosmic-ray transport codes that can handle the physics processes in detail. The Langley Research Center galactic cosmic-ray transport code (HZETRN) is currently under development for such design use. The cross sections for the production of secondary nucleons in the existing HZETRN code are energy dependent only for nucleon collisions. The approximation of energy-independent, heavy-ion fragmentation cross section is now removed by implementing a mathematically simplified energy-dependent stepping formalism for heavy ions. The cross section at each computational grid is obtained by linear interpolation from a few tabulated data to minimize computing time. Test runs were made for galactic cosmic-ray transport through a liquid hydrogen shield and a water shield at solar minimum. The results show no appreciable change in total fluxes or computing time compared with energy-independent calculations. Differences in high LET (linear energy transfer) spectra are noted, however, because of the large variation in cross sections at the low-energy region. The high LET components are significantly higher in the new code and have important implications on biological risk estimates for heavy-ion exposure.

Shinn, Judy L.↗

NASA NTRS1993

Three-dimensional modeling of diesel engine intake flow, combustion and emissions-2

A three-dimensional computer code, KIVA, is being modified to include state-of-the-art submodels for diesel engine flow and combustion. Improved and/or new submodels which have already been implemented and previously reported are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NO(x), and spray/wall impingement with rebounding and sliding drops. Progress on the implementation of improved spray drop drag and drop breakup models, the formulation and testing of a multistep kinetics ignition model, and preliminary soot modeling results are described. In addition, the use of a block structured version of KIVA to model the intake flow process is described. A grid generation scheme was developed for modeling realistic (complex) engine geometries, and computations were made of intake flow in the ports and combustion chamber of a two-intake-value engine. The research also involves the use of the code to assess the effects of subprocesses on diesel engine performance. The accuracy of the predictions is being tested by comparisons with engine experiments. To date, comparisons were made with measured engine cylinder pressure, temperature and heat flux data, and the model results are in good agreement with the experiments. Work is in progress that will allow validation of in-cylinder flow and soot formation predictions. An engine test facility is described that is being used to provide the needed validation data. Test results were obtained showing the effect of injection rate and split injections on engine performance and emissions.

Reitz, R. D.↗

NASA NTRSDate not supplied

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↗

NASA NTRSDate not supplied

Aeroheating Predictions for a Hypersonic, Turbulent Near-Wake

RANS↗

DOE OSTI2026

Short-term electricity load forecasting: Application-driven evaluation of machine learning models across spatial and temporal scales

As we transition towards a decarbonized economy, the integration of variable renewable energy resources and new demands (e.g., electric vehicles, heat pumps) into the electricity grid places unprecedented pressure on grid operators to effectively anticipate and manage peak load. In this context, machine learning algorithms are proving to be indispensable for accurate short-term load forecasting, a crucial task to address these challenges. This study benchmarks 6 machine learning algorithms, including three neural networks and three tree-based algorithms, across various levels of spatial aggregation and time horizons (1, 4, 8, 24, and 48 h). The central contribution of this work is the comparison and analysis of load forecasting models not only based on statistical metrics, but also based on a novel error metric, which evaluates the cost implications of forecast errors for power system stakeholders. Results show that tree-based models outperform neural networks, based on statistical metrics, and yield less skewed error distributions for most spatial scales. However, through the lens of the novel error metric, neural networks are the more competitive choice, especially for forecast horizons that exceed 8 h. The study concludes with actionable recommendations to grid operators and highlights the need for the development of error metrics that link forecasting accuracy to operational costs. To promote transparency and open science, the datasets and Python code are open-sourced via a supplementary repository.

Houben, Nikolaus↗

DOE OSTI2025

High-Performance Computing Based EMT Simulation: Power Grid with IBRs

Electromagnetic transient (EMT) simulation of power grids with high-fidelity models of inverter-based resources (IBRs) is time-consuming and difficult to scale. The necessity for high-fidelity models of IBRs that incorporate the dynamics of individual inverters within IBRs has been showcased in recent studies. These studies focused on events with partial power reduction in each IBR during a transmission line fault in the power grid. These types of events have been documented in multiple North American Electric Reliability Council (NERC) reports in the past decade. It is imperative then to find solutions to speed-up EMT simulations and scale the size of the region with IBRs studied in EMT simulations. In this paper, a combination of numerical simulation algorithms with high-performance computing techniques are employed in discretization and linear solvers employed in the proposed RE-INTEGRATE EMT simulation platform for power grid with IBRs. For ease of scalability, modular and object-oriented programming is used as these techniques are implemented. Additionally, automation software is developed to convert legacy software codes to the proposed RE-INTEGRATE EMT simulation platform. Thereafter, this platform is evaluated on multi-core central processing units (CPUs). Finally, scale-up tests are performed to showcase the scalability that is possible.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗

DOE OSTI2022

Verification and Validation Activities for the Multi-Fidelity Toolkit

The Multi-Fidelity Toolkit (MFTK) is a simulation tool being developed at Sandia National Laboratories for aerodynamic predictions of compressible flows over a range of physics fidelities and computational speeds. These models include the Reynolds-Averaged-Navier-Stokes (RANS) equations, the Euler equations, and modified Newtonian aerodynamics (MNA) equations, and they can be invoked independently or coupled with hierarchical Kriging to interpolate between high-fidelity simulations using lower-fidelity data. However, as with any new simulation capability, verification and validation are necessary to gather credibility evidence. This work describes formal code- and solution-verification activities as well as model validation with uncertainty considerations. Code verification is performed on the MNA model by comparing with an analytical solution for flat-plate and inclined-plate geometries. Solution-verification activities include grid-refinement studies of HIFiRE-1 wind tunnel measurements, which are used for validation, for all model fidelities. A thorough treatment of the validation comparison with prediction error and validation uncertainty is also presented.

42 ENGINEERING↗