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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Sensitivity of Simulated Radiative Emission from Nitrogen Flows to Chemical Parameters

Numerical models of hypersonic flows rely on chemistry data inferred from experiments and quantum calculations. Experiments from NASA's Electric Arc Shock Tube (EAST) measure the spectral emission of strong shocks in pure nitrogen flows. These spectral profiles are only approximately captured by numerical simulations. To address these discrepancies, one wishes to calibrate some of the chemical parameters to better match experiment. Because there are hundreds of parameters in the numerical model, a sensitivity analysis was carried out on the entire chemistry database to determine which parameters are most important to analyze in the future. In order to perform this work it was necessary to generate a consistent chemical database that interfaced with both the CFD and line-by-line radiation solver. Using Monte Carlo methods, the total Sobol index was calculated for important parameters. Twenty parameters were identified as important across the nitrogen system. However, it was noted that in some spectral regions, the parametric uncertainty was unable to bound EAST measurements. Further improvements could be made by increasing the parameter uncertainties or addressing other sources of modeling error.

Kaelan B Hansson↗
NASA NTRSDate not supplied

Sensitivity of Simulated Radiative Emission from Nitrogen Flows to Chemical Parameters

Numerical models of hypersonic flows rely on chemistry data inferred from experiments and quantum calculations. Experiments from NASA's Electric Arc Shock Tube (EAST) measure the spectral emission of strong shocks in pure nitrogen flows. These spectral profiles are only approximately captured by numerical simulations. To address these discrepancies, one wishes to calibrate some of the chemical parameters to better match experiment. Because there are hundreds of parameters in the numerical model, a sensitivity analysis was carried out on the entire chemistry database to determine which parameters are most important to analyze in the future. In order to perform this work it was necessary to generate a consistent chemical database that interfaced with both the CFD and line-by-line radiation solver. Using Monte Carlo methods, the total Sobol index was calculated for important parameters. Twenty parameters were identified as important across the nitrogen system. However, it was noted that in some spectral regions, the parametric uncertainty was unable to bound EAST measurements. Further improvements could be made by increasing the parameter uncertainties or addressing other sources of modeling error.

Kaelan Hansson↗
NASA NTRS2016

Large Gain in Air Quality Compared to an Alternative Anthropogenic Emissions Scenario

During the last 30 years, significant effort has been made to improve air quality through legislation for emissions reduction. Global three-dimensional chemistrytransport simulations of atmospheric composition over the past 3 decades have been performed to estimate what the air quality levels would have been under a scenario of stagnation of anthropogenic emissions per capita as in 1980, accounting for the population increase (BA1980) or using the standard practice of neglecting it (AE1980), and how they compare to the historical changes in air quality levels. The simulations are based on assimilated meteorology to account for the yearto- year observed climate variability and on different scenarios of anthropogenic emissions of pollutants. The ACCMIP historical emissions dataset is used as the starting point. Our sensitivity simulations provide clear indications that air quality legislation and technology developments have limited the rapid increase of air pollutants. The achieved reductions in concentrations of nitrogen oxides, carbon monoxide, black carbon, and sulfate aerosols are found to be significant when comparing to both BA1980 and AE1980 simulations that neglect any measures applied for the protection of the environment. We also show the potentially large tropospheric air quality benefit from the development of cleaner technology used by the growing global population. These 30-year hindcast sensitivity simulations demonstrate that the actual benefit in air quality due to air pollution legislation and technological advances is higher than the gain calculated by a simple comparison against a constant anthropogenic emissions simulation, as is usually done. Our results also indicate that over China and India the beneficial technological advances for the air quality may have been masked by the explosive increase in local population and the disproportional increase in energy demand partially due to the globalization of the economy.

Law (Jurisprudence)↗
NASA NTRS2016

The Description and Validation of a Computationally-Efficient CH4-CO-OH (ECCOH) Module for 3D Model Applications

We present the Efficient CH4-CO-OH Module (ECCOH) that allows for the simulation of the methane, carbon monoxide and hydroxyl radical (CH4-CO-OH cycle, within a chemistry climate model, carbon cycle model, or earth system model. The computational efficiency of the module allows many multi-decadal, sensitivity simulations of the CH4-CO-OH cycle, which primarily determines the global tropospheric oxidizing capacity. This capability is important for capturing the nonlinear feedbacks of the CH4-CO-OH system and understanding the perturbations to relatively long-lived methane and the concomitant impacts on climate. We implemented the ECCOH module into the NASA GEOS-5 Atmospheric Global Circulation Model (AGCM), performed multiple sensitivity simulations of the CH4-CO-OH system over two decades, and evaluated the model output with surface and satellite datasets of methane and CO. The favorable comparison of output from the ECCOH module (as configured in the GEOS-5 AGCM) with observations demonstrates the fidelity of the module for use in scientific research.

Remote Sensing↗
NASA NTRS2016

The Description and Validation of a Computationally-Efficient CH4-CO-OH (ECCOHv1.01) Chemistry Module for 3D Model Applications

We present the Efficient CH4-CO-OH (ECCOH) chemistry module that allows for the simulation of the methane, carbon monoxide, and hydroxyl radical (CH4-CO- OH) system, within a chemistry climate model, carbon cycle model, or Earth system model. The computational efficiency of the module allows many multi-decadal sensitivity simulations of the CH4-CO-OH system, which primarily determines the global atmospheric oxidizing capacity. This capability is important for capturing the nonlinear feedbacks of the CH4-CO-OH system and understanding the perturbations to methane, CO, and OH, and the concomitant impacts on climate. We implemented the ECCOH chemistry module in the NASA GEOS-5 atmospheric global circulation model (AGCM), performed multiple sensitivity simulations of the CH4-CO-OH system over 2 decades, and evaluated the model output with surface and satellite data sets of methane and CO. The favorable comparison of output from the ECCOH chemistry module (as configured in the GEOS- 5 AGCM) with observations demonstrates the fidelity of the module for use in scientific research.

carbon cycle model↗
DOE OSTI2023

Grid Spacing Sensitivities of Simulated Mid-Latitude and Tropical Mesoscale Convective Systems in the Convective Gray Zone

The main objective of this study is to observationally constrain processes in tropical and midlatitude mesoscale convective systems (MCSs), and to use these constraints for model evaluation. To accomplish this, we leverage MCS observations collected at the U.S. DOE Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site in Oklahoma and ARM's mobile GoAmazon2014/15 site in Manaus, Brazil (MAO). We simulate 13 and 11 of these observed MCSs at the SGP and MAO site, respectively, using the Weather Research and Forecasting model at 12-, 4-, 2-, and 1-km horizontal grid spacing. Observations from radiosondes, surface meteorology, and radar wind profilers are used to characterize MCS properties, such as MCS timing and location, cold pools, and convective drafts, and evaluate these simulations. SGP cases are found in better agreement with observations than MAO cases, and when simulated at 2 km, outperform simulations at 1 km regarding the timing of MCS overpass and the accuracy of surface variable trends. MAO simulations suggest a consistent improvement in model accuracy with increasing model resolution in depicting the downdraft structure, the timing of MCSs, and the surface variables changes, except for the latter two metrics at 2 km. Deficiencies are still evident at km-scales, suggesting the need for higher resolution to simulate tropical MCSs. Overall, location-dependent improvements in MCS representation are obtained with the increasing model resolution, prompting the evaluation of sub-km scale simulations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Clouds Versus Carbon: Predicting Vegetation Roughness by Maximizing Productivity

Surface roughness is one of the dominant vegetation properties that affects land surface exchange of energy, water, carbon, and momentum with the overlying atmosphere. We hypothesize that the canopy structure of terrestrial vegetation adapts optimally to climate by maximizing productivity, leading to an optimum surface roughness. An optimum should exist because increasing values of surface roughness cause increased surface exchange, leading to increased supply of carbon dioxide for photosynthesis. At the same time, increased roughness enhances evapotranspiration and cloud cover, thereby reducing the supply of photosynthetically active radiation. We demonstrate the optimum through sensitivity simulations using a coupled dynamic vegetation-climate model for present day conditions, in which we vary the value of surface roughness for vegetated surfaces. We find that the maximum in productivity occurs at a roughness length of 2 meters, a value commonly used to describe the roughness of today's forested surfaces. The sensitivity simulations also illustrate the strong climatic impacts of vegetation roughness on the energy and water balances over land: with increasing vegetation roughness, solar radiation is reduced by up to 20 W/sq m in the global land mean, causing shifts in the energy partitioning and leading to general cooling of the surface by 1.5 K. We conclude that the roughness of vegetated surfaces can be understood as a reflection of optimum adaptation, and it is associated with substantial changes in the surface energy and water balances over land. The role of the cloud feedback in shaping the optimum underlines the importance of an integrated perspective that views vegetation and its adaptive nature as an integrated component of the Earth system.

Olsen, Lola M.↗
NASA NTRS2002

Dynamic Stability of Uncertain Laminated Beams Under Subtangential Loads

Because of the inherent complexity of fiber-reinforced laminated composites, it can be challenging to manufacture composite structures according to their exact design specifications, resulting in unwanted material and geometric uncertainties. In this research, we focus on the deterministic and probabilistic stability analysis of laminated structures subject to subtangential loading, a combination of conservative and nonconservative tangential loads, using the dynamic criterion. Thus a shear-deformable laminated beam element, including warping effects, is derived to study the deterministic and probabilistic response of laminated beams. This twenty-one degrees of freedom element can be used for solving both static and dynamic problems. In the first-order shear deformable model used here we have employed a more accurate method to obtain the transverse shear correction factor. The dynamic version of the principle of virtual work for laminated composites is expressed in its nondimensional form and the element tangent stiffness and mass matrices are obtained using analytical integration The stability is studied by giving the structure a small disturbance about an equilibrium configuration, and observing if the resulting response remains small. In order to study the dynamic behavior by including uncertainties into the problem, three models were developed: Exact Monte Carlo Simulation, Sensitivity Based Monte Carlo Simulation, and Probabilistic FEA. These methods were integrated into the developed finite element analysis. Also, perturbation and sensitivity analysis have been used to study nonconservative problems, as well as to study the stability analysis, using the dynamic criterion.

Goyal, Vijay K.↗
NASA NTRS1999

Influence of Transport on Two-Dimensional Model Simulation. Tracer Sensitivity to 2-D Model Transport: Long Lived Tracers - 1

In this study, we examine the sensitivity of long lived tracers to changes in the base transport components in our 2-D model. Changes to the strength of the residual circulation in the upper troposphere and stratosphere and changes to the lower stratospheric K(sub zz) had similar effects in that increasing the transport rates decreased the overall stratospheric mean age, and increased the rate of removal of material from the stratosphere. Increasing the stratospheric K(sub yy) increased the mean age due to the greater recycling of air parcels through the middle atmosphere, via the residual circulation, before returning to the troposphere. However, increasing K(sub yy) along with self-consistent increases in the corresponding planetary wave drive, which leads to a stronger residual circulation, more than compensates for the K(sub yy)-effect, and produces significantly younger ages throughout the stratosphere. Simulations with very small tropical stratospheric K(sub yy) decreased the globally averaged age of air by as much as 25% in the middle and upper stratosphere, and resulted in substantially weaker vertical age gradients above 20 km in the extratropics. We found only very small stratospheric tracer sensitivity to the magnitude of the horizontal mixing across the tropopause, and to the strength of the mesospheric gravity wave drag and diffusion used in the model. We also investigated the transport influence on chemically active tracers and found a strong age-tracer correlation, both in concentration and calculated lifetimes. The base model transport gives the most favorable overall comparison with a variety of inert tracer observations, and provides a significant improvement over our previous 1995 model transport. Moderate changes to the base transport were found to provide modest agreement with some of the measurements. Transport scenarios with residence times ranging from moderately shorter to slightly longer relative to the base case simulated N2O lifetimes that were within the observational estimates of Volk et al. [1997]. However, only scenarios with rather fast transport rates were comparable with the Volk et al. estimates of CFCl3 lifetimes. This is inconsistent with model-measurement comparisons of mean age in which the base model or slightly slower transport rates compared the most favorably with balloon SF6 data. For all comparisons shown, large transport changes away from the base case resulted in simulations that were outside the range of measurements, and in many cases, far outside this range.

Fleming, Eric L.↗
DOE OSTI2024

Data and Scripts associated with “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling.”

This data package is associated with the publication “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling” submitted to Geoscientific Model Development (Muller et al., 2024). In this manuscript, organic matter chemistry and thermodynamics are directly connected to reactive transport simulators through the newly developed Lambda-PFLOTRAN (Parallel Reactive Flow and Transport model) workflow tool that succinctly incorporates organic matter chemistry data generated from Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) into reaction networks to simulate aerobic respiration of the organic matter and the resulting biogeochemistry. Lambda-PFLOTRAN is a python-based workflow, executed through a Jupyter Notebook interface, that digests raw FTICR-MS data, develops a representative reaction network based on substrate-explicit thermodynamic modeling (also termed lambda modeling due to its key thermodynamic parameter λ used therein), and completes a biogeochemical simulation with the open source, reactive flow, and transport code PFLOTRAN. This data package contains Jupyter Notebook based workflows for two test cases for running biogeochemical simulations of organic matter oxidation identified by FTICR-MS. It contains four primary folders (workflow, data, src, and analysis), a file-level metadata file (Muller_2024_Lambda_PFLOTRAN_Manuscript_Data_Package_flmd.csv) that lists all the files contained in this data package with a short description of each, and a data dictionary (Muller_2024_Lambda_PFLOTRAN_Manuscript_Data_Package_dd.csv) file that describes the tabular column headers. The ‘workflow’ folder contains the Jupyter Notebook based workflows for running the lambda analysis, PFLOTRAN simulation, sensitivity analysis and parameter estimation. The ‘data’ folder contains the FTICR-MS data, initial conditions, and incubation data for test cases 1 and 2 in folders titled ‘WHONDRS’ and ‘Colloids’, respectively. The data folder also has a ‘Database’ folder containing a reaction network for bulk organic matter (assumed to be CH2O) and a general database for PFLOTRAN (hanford_rxn_network). The CH2O reaction network defines bulk organic matter oxidation. Biogeochemical simulations are completed for both the lambda binned organic matter and bulk organic matter reaction networks. The ‘hanford_rxn_network’ database includes information required for PFLTORAN simulations including ion size, molar mass, and charge of the aqueous species, gases, and minerals phases. The ‘src’ folder contains python source codes for performing lambda analysis, PFLOTRAN simulation, sensitivity analysis and parameter estimation. The ‘analysis’ folder contains outputs from the test cases 1 and 2 including lambda analysis, PFLOTRAN runs and the calibration results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Sensitivity of Simulated Polar Climate to Improved Partitioning of Spectral Solar Irradiance Between Visible and Near‐Infrared Bands

The solar radiative processes that contribute to Earth's surface and atmospheric energy budgets are strongly dependent on wavelength. For example, snow and water vapor become more absorptive as incident radiation shifts from visible (VIS) to near-infrared (NIR) wavelengths. Some earth system models (ESMs) aggregate solar radiation into just two bands (VIS and NIR) partitioned at 0.7 μm for transmission between the atmospheric and surface components. In the widely used radiative transfer model RRTMG_SW this partition is near the center of the overlap spectral band spanning 0.625–0.778 μm, whose flux is often approximated as being evenly divided between the VIS and NIR surface bands. Using a hyperspectral radiative transfer model, we show that the fractional downwelling surface flux within the overlap band is usually distributed about 55.5%:44.5% VIS:NIR. This improved approximation shifts as much as 4.27 W m −2 from the NIR to the VIS band, leading to an instantaneous decrease in surface absorption of up to 0.91 W m −2 over snow-covered surfaces. Century-long fully coupled ESM simulations show surface absorption over snow decreases by over 1.6 W m −2 . The coupled response in sea ice regions amplifies the initial forcing ten-fold, and increases seasonal sea ice area by up to 4.9%. These results highlight the importance of accurately representing the spectral distribution of solar radiation in the cryosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Sensitivity of Simulations of Double-detonation Type Ia Supernovae to Integration Methodology

Abstract We study the coupling of hydrodynamics and reactions in simulations of the double-detonation model for Type Ia supernovae. When assessing the convergence of simulations, the focus is usually on spatial resolution; however, the method of coupling the physics together as well as the tolerances used in integrating a reaction network also play an important role. In this paper, we explore how the choices made in both coupling and integrating the reaction portion of a simulation (operator/Strang splitting versus the simplified spectral deferred corrections method we introduced previously) influences the accuracy, efficiency, and nucleosynthesis of simulations of double detonations. We find no need to limit reaction rates or reduce the simulation time step to the reaction timescale. The entire simulation methodology used here is GPU-accelerated and made freely available as part of the Castro simulation code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2004

Sensitivity of Simulated Warm Rain Formation to Collision and Coalescence Efficiencies, Breakup, and Turbulence: Comparison of Two Bin-Resolved Numerical Models

Numerical models that resolve cloud particles into discrete mass size distributions on an Eulerian grid provide a uniquely powerful means of studying the closely coupled interaction of aerosols, cloud microphysics, and transport that determine cloud properties and evolution. However, such models require many experimentally derived paramaterizations in order to properly represent the complex interactions of droplets within turbulent flow. Many of these parameterizations remain poorly quantified, and the numerical methods of solving the equations for temporal evolution of the mass size distribution can also vary considerably in terms of efficiency and accuracy. In this work, we compare results from two size-resolved microphysics models that employ various widely-used parameterizations and numerical solution methods for several aspects of stochastic collection.

Fridlind, Ann↗
NASA NTRS2004

The Sensitivity of Simulated Storm Structure and Intensity to the Temperature at the Lifted Condensation Level

Prior parameter space studies of simulated deep convection are extended to embrace variations in the ambient temperature at the Lifted Condensation Level (LCL). Within the context of the parameter space study design, changes in LCL temperature are roughly equivalent to changes in the ambient precipitable water. Two series of simulations are conducted, one with a warm LCL that is associated with approximately 60 mm of precipitable water, and another with LCL temperatures 8 C cooler, so that PW is reduced to roughly 30 mm. The sets of simulations include tests of the impact of changes in the buoyancy and shear profile shapes and of changes in mixed and moist layer depths, all of which have been shown to be important in prior work. Simulations discussed here feature values of bulk convective available potential energy (CAPE) of 800, 2000, or 3200 Joules per kilogram, and a single semicircular hodograph having radius of 12 meters per second, but with variable vertical shear. The simulations reveal a consistent trend toward stronger peak updraft speeds for the cooler LCL temperature (reduced PW) cases, if all other environmental parameters are held constant. Roughly comparable increases in updraft speeds are noted for all combinations of LCL and level of free convection heights. These increases in updraft strength are evidently the result of both the reduction of condensate loading aloft and the lower altitudes at which the latent heat release by freezing and deposition commences in the cooler, low-PW environments. Because the latent heat of fusion adds relatively more energy to the updrafts at low CAPE, those storms show more strengthening at low PW than do the larger CAPE storms. As expected, maximum storm precipitation rates tend to diminish as PW is decreased, but only slightly, and by amounts not proportionate to the decrease in PW. The low-PW cases thus actually feature larger environment-relative precipitation efficiency than do the high-PW cases. In addition, more hail reaches the surface in the low-PW cases because of reduced melting in the cooler environments.

McCaul, Eugene W., Jr.↗