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All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Harmonized Emissions Component (HEMCO) 3.0 as a Versatile Emissions Component for Atmospheric Models: Application in the GEOS-Chem, NASA GEOS, WRF-GC, CESM2, NOAA GEFS-Aerosol, and NOAA UFS Models

Emissions are a central component of atmospheric chemistry models. The Harmonized Emissions Component (HEMCO) is a software component for computing emissions from a user-selected ensemble of emission inventories and algorithms. It allows users to re-grid, combine, overwrite, subset, and scale emissions from different inventories through a configuration file and with no change to the model source code. The configuration file also maps emissions to model species with appropriate units. HEMCO can operate in offline stand-alone mode, but more importantly it provides an online facility for models to compute emissions at runtime. HEMCO complies with the Earth System Modeling Framework (ESMF) for portability across models. We present a new version here, HEMCO 3.0, that features an improved three-layer architecture to facilitate implementation into any atmospheric model and improved capability for calculating emissions at any model resolution including multiscale and unstructured grids. The three-layer architecture of HEMCO 3.0 includes (1) the Data Input Layer that reads the configuration file and accesses the HEMCO library of emission inventories and other environmental data, (2) the HEMCO Core that computes emissions on the user-selected HEMCO grid, and (3) the Model Interface Layer that re-grids (if needed) and serves the data to the atmospheric model and also serves model data to the HEMCO Core for computing emissions dependent on model state (such as from dust or vegetation). The HEMCO Core is common to the implementation in all models, while the Data Input Layer and the Model Interface Layer are adaptable to the model environment. Default versions of the Data Input Layer and Model Interface Layer enable straightforward implementation of HEMCO in any simple model architecture, and options are available to disable features such as re-gridding that may be done by independent couplers in more complex architectures. The HEMCO library of emission inventories and algorithms is continuously enriched through user contributions so that new inventories can be immediately shared across models. HEMCO can also serve as a general data broker for models to process input data not only for emissions but for any gridded environmental datasets. We describe existing implementations of HEMCO 3.0 in (1) the GEOS-Chem “Classic” chemical transport model with shared-memory infrastructure, (2) the high-performance GEOS-Chem (GCHP) model with distributed-memory architecture, (3) the NASA GEOS Earth System Model (GEOS ESM), (4) the Weather Research and Forecasting model with GEOS-Chem (WRF-GC), (5) the Community Earth System Model Version 2 (CESM2), and (6) the NOAA Global Ensemble Forecast System – Aerosols (GEFS-Aerosols), as well as the planned implementation in the NOAA Unified Forecast System (UFS). Implementation of HEMCO in CESM2 contributes to the Multi-Scale Infrastructure for Chemistry and Aerosols (MUSICA) by providing a common emissions infrastructure to support different simulations of atmospheric chemistry across scales.

Haipeng Lin↗
NASA NTRS1991

CFD prediction of the near-field sonic boom environment for two low boom HSCT configurations

Current efforts to reduce the sonic boom of a future High Speed Civil Transport (HSCT) by careful shaping have led to the need for more accurate predictions of the near-field flow conditions of the configuration. A fully three-dimensional Euler finite volume code is used to predict sonic boom pressure signatures for two low boom concepts - one designed to cruise at Mach 2 and the other at Mach 3. Calculations were carried out using a grid topology that has been modified to reduce the inaccuracies caused by grid spreading often suffered with CFD methods when calculations several body lengths downstream become necessary. Comparisons of CFD results and experimental wind tunnel signatures are shown. Ground signatures are predicted by extrapolating the pressures predicted by the Euler code with an extrapolation method based on the Whitham theory.

Siclari, M. J.↗
NASA NTRS2017

Grid Convergence for Three Dimensional Benchmark Turbulent Flows

Grid convergence studies are performed to establish reference solutions for benchmark three dimensional turbulent flows in support of the ongoing turbulence model verification and validation e ort at the Turbulence Modeling Resource website curated by NASA. The bench- mark cases are a subsonic flow around a hemisphere cylinder and a transonic flow around the ONERA M6 wing with a sharp trailing edge. The study applies widely-used computational fluid dynamics codes developed and supported at the NASA Langley Research Center: FUN3D, USM3D, and CFL3D. Reference steady-state solutions are computed for the Reynolds-Averaged Navier-Stokes equations with the Spalart-Allmaras turbulence model on families of consistently-refined grids composed of different types of cells. Coarse-to- ne and code-to-code solution variation is described in detail.

Diskin, Boris↗
NASA NTRSDate not supplied

Performance of an Array of 6 X 6 X 20 mm3 Virtual Frisch-Grid CdZnTe Detectors With A Waveform Sampling Readout System

Arrays of CdZnTe (CZT) bars with high spatial and energy resolution are an enabling technology for future space missions, such as the image plane detector of the Galactic Explorer with a Coded Aperture Mask Compton Telescope (GECCO). GECCO will explore the medium-energy (100 keV – 10 MeV) gamma-ray sky, which is among the least covered windows to the Universe with a massive potential for discovery. We have integrated an array of 6x6x20 mm3 virtual Frisch-grid (VFG) CZT detectors, measuring signals from the cathodes, anodes, and pads on each of the four sides of each bar. The VFG CZT detector is read out with an IDEAS GDS-100 waveform sampling readout system to optimize the signal processing and event reconstruction. We evaluated the energy and position resolution of the integrated VFG CZT array with a 137Cs source and successfully demonstrated better than 1% energy resolution and finer than 1 mm position resolution at 662 keV. Furthermore, we carried out a beam test at the High Intensity Gamma-ray Source (HIGS) at Duke University to investigate the performance of the system for higher energy gamma-rays. Together with the basic performance obtained from the 137Cs source, we present here those results from the beam test with various gamma-ray energies up to 8 MeV.

Makoto Sasaki↗
NASA NTRS1993

Numerical investigations in three-dimensional internal flows

In the present reporting period, the 3D STUFF code was used to solve the underbody flow for the waverider configuration vehicle. In order to start the space-marched version of the code, the time-marched version (TUFF) was used to solve the forward portion of the underside of the forebody flowfield. A grid was generated which went from the tip of the nose to the location of the cowl lip. This includes all of the inlet ramp system. Previous indications were that three-dimensional effects could be expected on the ramps of such an aircraft. For purposes of the present study, no sidewalls were assumed. The sidewalls were eliminated to simplify the calculations and to show the potential effects of three-dimensional flow in the absence of a full sidewall. Further, this flow was also analyzed using the newly released OVERFLOW code and comparisons between the two codes were made. In addition to these 3D calculations, 2D calculations using the OVERFLOW code were also obtained for the Mach 5 inlet model in this reporting period. Comparisons between the experimental data, previous computational fluid dynamics (CFD) results and those from OVERFLOW were made.

Rose, William C.↗
NASA NTRS1994

A comparison of cosmological hydrodynamic codes

We present a detailed comparison of the simulation results of various hydrodynamic codes. Starting with identical initial conditions based on the cold dark matter scenario for the growth of structure, with parameters h = 0.5 Omega = Omega(sub b) = 1, and sigma(sub 8) = 1, we integrate from redshift z = 20 to z = O to determine the physical state within a representative volume of size L(exp 3) where L = 64 h(exp -1) Mpc. Five indenpendent codes are compared: three of them Eulerian mesh-based and two variants of the smooth particle hydrodynamics 'SPH' Lagrangian approach. The Eulerian codes were run at N(exp 3) = (32(exp 3), 64(exp 3), 128(exp 3), and 256(exp 3)) cells, the SPH codes at N(exp 3) = 32(exp 3) and 64(exp 3) particles. Results were then rebinned to a 16(exp 3) grid with the exception that the rebinned data should converge, by all techniques, to a common and correct result as N approaches infinity. We find that global averages of various physical quantities do, as expected, tend to converge in the rebinned model, but that uncertainites in even primitive quantities such as (T), (rho(exp 2))(exp 1/2) persists at the 3%-17% level achieve comparable and satisfactory accuracy for comparable computer time in their treatment of the high-density, high-temeprature regions as measured in the rebinned data; the variance among the five codes (at highest resolution) for the mean temperature (as weighted by rho(exp 2) is only 4.5%. Examined at high resolution we suspect that the density resolution is better in the SPH codes and the thermal accuracy in low-density regions better in the Eulerian codes. In the low-density, low-temperature regions the SPH codes have poor accuracy due to statiscal effects, and the Jameson code gives the temperatures which are too high, due to overuse of artificial viscosity in these high Mach number regions. Overall the comparison allows us to better estimate errors; it points to ways of improving this current generation ofhydrodynamic codes and of suiting their use to problems which exploit their best individual features.

Kang, Hyesung↗
NASA NTRS1999

Engineering Overview of a Multidisciplinary HSCT Design Framework Using Medium-Fidelity Analysis Codes

An objective of the HPCC Program at NASA Langley has been to promote the use of advanced computing techniques to more rapidly solve the problem of multidisciplinary optimization of a supersonic transport configuration. As a result, a software system has been designed and is being implemented to integrate a set of existing discipline analysis codes, some of them CPU-intensive, into a distributed computational framework for the design of a High Speed Civil Transport (HSCT) configuration. The proposed paper will describe the engineering aspects of integrating these analysis codes and additional interface codes into an automated design system. The objective of the design problem is to optimize the aircraft weight for given mission conditions, range, and payload requirements, subject to aerodynamic, structural, and performance constraints. The design variables include both thicknesses of structural elements and geometric parameters that define the external aircraft shape. An optimization model has been adopted that uses the multidisciplinary analysis results and the derivatives of the solution with respect to the design variables to formulate a linearized model that provides input to the CONMIN optimization code, which outputs new values for the design variables. The analysis process begins by deriving the updated geometries and grids from the baseline geometries and grids using the new values for the design variables. This free-form deformation approach provides internal FEM (finite element method) grids that are consistent with aerodynamic surface grids. The next step involves using the derived FEM and section properties in a weights process to calculate detailed weights and the center of gravity location for specified flight conditions. The weights process computes the as-built weight, weight distribution, and weight sensitivities for given aircraft configurations at various mass cases. Currently, two mass cases are considered: cruise and gross take-off weight (GTOW). Weights information is obtained from correlations of data from three sources: 1) as-built initial structural and non-structural weights from an existing database, 2) theoretical FEM structural weights and sensitivities from Genesis, and 3) empirical as-built weight increments, non-structural weights, and weight sensitivities from FLOPS. For the aeroelastic analysis, a variable-fidelity aerodynamic analysis has been adopted. This approach uses infrequent CPU-intensive non-linear CFD to calculate a non-linear correction relative to a linear aero calculation for the same aerodynamic surface at an angle of attack that results in the same configuration lift. For efficiency, this nonlinear correction is applied after each subsequent linear aero solution during the iterations between the aerodynamic and structural analyses. Convergence is achieved when the vehicle shape being used for the aerodynamic calculations is consistent with the structural deformations caused by the aerodynamic loads. To make the structural analyses more efficient, a linearized structural deformation model has been adopted, in which a single stiffness matrix can be used to solve for the deformations under all the load conditions. Using the converged aerodynamic loads, a final set of structural analyses are performed to determine the stress distributions and the buckling conditions for constraint calculation. Performance constraints are obtained by running FLOPS using drag polars that are computed using results from non-linear corrections to the linear aero code plus several codes to provide drag increments due to skin friction, wave drag, and other miscellaneous drag contributions. The status of the integration effort will be presented in the proposed paper, and results will be provided that illustrate the degree of accuracy in the linearizations that have been employed.

Weston, R. P.↗
DOE OSTI2023

Near-continuum, hypersonic oxygen flow over a double cone simulated by direct simulation Monte Carlo informed from quantum chemistry

A large-scale, fully resolved direct simulation Monte Carlo (DSMC) computation of a non-equilibrium, reactive flow of pure oxygen over a double cone is presented. Under the simulated near-continuum conditions, the computational demands are shown to be significant because of the wide range of length scales that must be resolved. Therefore, robust grid adaption capabilities and efficient parallelization of the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code that is utilized in this work are essential. The thermochemical and transport collision models were selected for efficiency and simplicity. First-principles data, obtained from the highly accurate direct molecular simulation method, were used to inform the collision models’ parameters. Importantly, because SPARTA implements molecular collision models using collision-specific energies, the resulting macroscopic relaxation rates were evaluated a posteriori via zero-dimensional heat bath simulations. The comparisons of surface properties, namely heat flux and pressure, show very close agreement with previous computational fluid dynamics (CFD) results. Differences with the measurements were found to be similar to the CFD simulations. The unresolved discrepancy with the measurements could be due to inconsistent free stream conditions with the actual experimental data or missing physical phenomena altogether, for example atomic and molecular oxygen electronically excited states, three-dimensional effects, or more complex gas–surface interactions. As shown in this work, the advantages of obtaining a DSMC particle solution for these flows reside in the method's ability to be directly informed from first principles and to seamlessly describe internal energy non-equilibrium for all modes. With the advent of exascale computing and beyond, particle methods will be an increasingly important tool to verify the validity of physical assumptions in reduced-order models via fully resolved, experimental-scale simulations, down to the level of molecular-level distributions.

Mechanics↗
DOE OSTI2022

LaplaceInterpolation.jl

This code performs fast interpolation for volume datasets, specifically, Laplace and Matern interpolation where missing data are on a grid of arbitrary dimension.

HALEY, CHARLOTTE ANNA LISA↗
DOE OSTI2026

Mountain Basin Controls on the Snow-to-Streamflow Signal: An AIC-Weighted Multiple Linear Regression Framework

A regression-based analysis quantifies how basin characteristics modulate the snow-to-streamflow signal. First, we use the ERA5-Land reanalysis gridded product (European Centre for Medium Range Weather Forecasts reanalysis 5 -Land component) for 4,655 hydrologic unit code - 10 (HUC10) mountain basins across the western United States (US) for water years 1987–2024. Linear regressions are performed for peak snow water equivalent (SWE) and annual streamflow for each mountain basin. Models use ordinary least squares in Python’s statsmodels package. After which, an Akaike Information Criterion (AIC)–weighted ensemble multiple linear regression (MLR) framework with 47 watershed traits is used to predict the linear regression coefficient of determination (r-squared) defining the ability of peak SWE to predict annual streamflow across all mountain basin. Predictor sets are constrained to avoid multicollinearity by excluding models with variance inflation factors (VIF) greater than 5. Mountain basin traits included in the MLR include seasonal climate, topography, vegetation type and structure, and bedrock geology. Accepted models are considered if their AIC is within 2.0 of the model with the minimum AIC, or best model. To compare predictor influence across acceptable models, we computed standardized regression coefficients. To evaluate structural redundancy among models, we constructed binary inclusion vectors for each acceptable model, denoting whether a predictor was present (1) or absent (0). Core predictor variables are defined as occurring in at least 67% of the acceptable models. For this regional analysis, only one model was found acceptable, with higher snow-to-streamflow translation (higher r-squared) occurring in colder mountain basins with higher relative winter precipitation, more snow accumulation and a lower fraction of annual precipitation that falls in the spring and summer. The second component of the data package uses previously published, high-resolution output from an integrated hydrological model of the East River watershed using the U.S. Geological Survey Groundwater and Surface water Flow model (GSFLOW, doi:10.15485/1998576). East River MLR expands upon the approach described above to explore the response of five streamflow metrics—annual streamflow, runoff efficiency, 7-day minimum flow, low-flow duration, and non-perennial stream fraction to snow system indicators including peak SWE, snow-covered area, snow disappearance date, and the fraction of basin area characterized by low-to-no snow, as well as seasonal precipitation and temperature, and annual hydrologic variables representing soil moisture, evapotranspiration (ET), the partitioning of incoming precipitation to evapotranspiration (ET/P), groundwater storage, and groundwater inflow to streams. MLR was done on all water years (P0: 1987-2024) and for each period as determined in the split analysis using pooled regression techniques (P1: 1987-2011 and P2: 2012-2024) to evaluate shifting predictor variable emphasis on streamflow generation. Results indicate that since 2012, peak SWE has lost statistical strength in its prediction of annual streamflow and runoff efficiency, and the indirect influence of spring temperature has emerged as critically important. Low-flow metrics remain largely influenced by soil moisture, vegetation water use and groundwater inflows with summer precipitation becoming a direct influence on minimum summer flow. Together, these data and Python-based analysis tools provide a framework for identifying the key watershed characteristics that control how streamflow responds to snow from year to year. The package also helps quantify uncertainty in statistical models and assess how snow–streamflow relationships vary across regions and over time. This dataset contains comma-separated values files (.csv), text files (.txt), python code files (.py), figure files (.png), and shapefiles (.cpg, .dbf, .prj, .sbn, .sbx, .shp, .xml). Further details on file contents and MLR execution can be found in the readme file and the FLMD files. Work was 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.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Flexible Pilot Jobs Framework for Distributed High Throughput Computing

Experimental particle physics has been at the forefront of analyzing the world’s largest datasets for decades. The high-energy physics (HEP) community was among the first to develop suitable software and computing tools for this purpose. GlideinWMS is a Glidein-based workload management system whose purpose is to provide experiments like CMS at CERN, DUNE at Fermilab, and others, a way to access and efficiently use vast amounts of computing resources. This system wants to provide a simple way to submit jobs to a set of computing resources, that will be provided to users behind the scenes. Glideins are the pilot jobs executed on the worker nodes at the grid sites, performing operations such as hardware detection, environment setup, and error handling. After all these operations, they will launch the actual user job. Many grid sites are supported, such as shared clusters, Google CE, and AWS. My internship aimed to design and code a flexible pilot jobs framework that will replace the one used by GlideinWMS, developing a modular and flexible skeleton of the Glidein and adding further functionalities. My project also focused on the application of machine learning techniques as support to this management system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

BSEC ecohydrological and water quality fluxes from RHESSys Simulations in USGS gauged watersheds

Baltimore Environmental Social Collaborative (BSEC) Water and Water Quality Simulations from RHESSys Model The repository contains RHESSys (Tague & Band, 2004; source code) simulated ecohydrological and nutrient (nitrogen only) fluxes at daily, basin-average (RHESSys_basin_output) and monthly, grid (RHESSys_patch_output) levels. We currently simulated the following 8 watersheds in Baltimore: Dead Run Baisman Run Scotts Level Branch Moores Run Powder Mill Run Maidens Choice Run Stony Run The watershed boundaries of all studied watersheds are stored in Watershed_Boundary folder. Variables and their units are listed in the metadata. Spatial projection, NAD83 / UTM zone 18N (EPSG:26918) is used for patch-level, netCDF-format files. For more information, please contact Ruoyu Zhang (rz3jr@virginia.edu).

Baltimore MD↗
NASA NTRS1983

Analytical calculation of a single jet in cross-flow and comparison with experiment

A series of progressively finer grid systems to calculate the single jet in cross-flow experimentally measured were employed. The experimental measurements provide a collection of velocities, turbulence intensities, and jet concentration profiles with measurements of the inlet field. The use of a series of progressively finer grid systems allows a differentiation between numerical errors and the hydrodynamic modeling assumptions embodied in the 3D combustor code.

Claus, R. W.↗
NASA NTRS1984

Calculating C-grids with fine and embedded mesh regions

A program for calculating a C-type mesh around airfoil like shapes is described. The Jameson/Caughey approach is used: a parabolic transformation coupled with a shearing transformation. The algebraic algorithm is capable of efficiently generating nearly orthogonal grids. A high degree of grid control is possible. The user may specify grid boundaries, number of grid lines, and location of (and spacing in) trailing edge and leading edge fine mesh areas. The capability of embedding fine mesh regions, for use with new adaptive grid techniques, is being developed. Grids generated by the program were used in Euler flow flow calculatons by W. Usab. Results superior to results calculated on previous O-type grids were obtained. Specifically, calculations converged faster using C-grids rather than 0-grids, total pressure loss spikes at the trailing edge of the airfoil were eliminated, and the Ni method converged with zero artificial smoothing for a subcritical case (resulting overall total pressure loss was then nearly zero). These improvements were attributed to higher grid orthogonality, especially at the trailing edge. The program itself is fairly straightforward. Roughly half of the 800 code lines are comment lines.

Loyd, B.↗
NASA NTRS1989

Computation of hypersonic flow fields

The present discussion of the theory, solution methods, and development status of chemically reactive flow CFD codes pertaining to the flow field around a hypersonic vehicle encompasses the formulation of multicomponent viscous equations, grid-generation techniques, and finite-difference algorithms. The Navier-Stokes equations presented focus on such particularities of high speed vehicles as their aerodynamic configuration, lee and wake flow, bow shock, and chemistry and low density effects. Issues for which further development is desirable encompass boundary treatments, grid quality, shock capturing, and the decoupling of chemistry from flow variables.

Li, Chien-Peng↗
NASA NTRS1991

The NASA aircraft noise prediction program improved propeller analysis system

The improvements and the modifications of the NASA Aircraft Noise Prediction Program (ANOPP) and the Propeller Analysis System (PAS) are described. Comparisons of the predictions and the test data are included in the case studies for the flat plate model in the Boundary Layer Module, for the effects of applying compressibility corrections to the lift and pressure coefficients, for the use of different weight factors in the Propeller Performance Module, for the use of the improved retarded time equation solution, and for the effect of the number grids in the Transonic Propeller Noise Module. The DNW tunnel test data of a propeller at different angles of attack and the Dowty Rotol data are compared with ANOPP predictions. The effect of the number of grids on the Transonic Propeller Noise Module predictions and the comparison of ANOPP TPN and DFP-ATP codes are studied. In addition to the above impact studies, the transonic propeller noise predictions for the SR-7, the UDF front rotor, and the support of the enroute noise test program are included.

Nguyen, L. Cathy↗
NASA NTRS2002

Time-Dependent Simulations of Turbopump Flows

Unsteady flow simulations for RLV (Reusable Launch Vehicles) 2nd Generation baseline turbopump for one and half impeller rotations have been completed by using a 34.3 Million grid points model. MLP (Multi-Level Parallelism) shared memory parallelism has been implemented in INS3D, and benchmarked. Code optimization for cash based platforms will be completed by the end of September 2001. Moving boundary capability is obtained by using DCF module. Scripting capability from CAD (computer aided design) geometry to solution has been developed. Data compression is applied to reduce data size in post processing. Fluid/Structure coupling has been initiated.

Kiris, Cetin↗
NASA NTRS2011

Current Status on Radiation Modeling for the Hayabusa Re-entry

On June 13, 2010 the Japanese Hayabusa capsule performed its reentry into the Earths atmosphere over Australia after a seven year journey to the asteroid Itokawa. The reentry was studied by numerous imaging and spectroscopic instruments onboard NASA's DC-8 Airborne Laboratory and from three sites on the ground, in order to measure surface and plasma radiation generated by the Hayabusa Sample Return Capsule (SRC). Post flight, the flow solutions were recomputed to include the whole flow field around the capsule at 11 points along the reentry trajectory using updated trajectory information. Again, material response was taken into account to obtain most reliable surface temperature information. These data will be used to compute thermal radiation of the glowing heat shield and plasma radiation by the shock/post-shock layer system to support analysis of the experimental observation data. For this purpose, lines of sight data are being extracted from the flow field volume grids and plasma radiation will be computed using NEQAIR [4] which is a line-by-line spectroscopic code with one-dimensional transport of radiation intensity. The procedures being used were already successfully applied to the analysis of the observation of the Stardust reentry [5].

Winter, Michael W.↗