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NASA NTRS1979

Organic chemistry on Titan

Features taken from various models of Titan's atmosphere are combined in a working composite model that provides environmental constraints within which different pathways for organic chemical synthesis are determined. Experimental results and theoretical modeling suggest that the organic chemistry of the satellite is dominated by two processes: photochemistry and energetic particle bombardment. Photochemical reactions of CH4 in the upper atmosphere can account for the presence of C2 hydrocarbons. Reactions initiated at various levels of the atmosphere by cosmic rays, Saturn 'wind', and solar wind particle bombardment of a CH4-N2 atmospheric mixture can account for the UV-visible absorbing stratospheric haze, the reddish appearance of the satellite, and some of the C2 hydrocarbons. In the lower atmosphere photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. It is concluded that the surface of Titan may contain ancient or recent organic matter (or both) produced in the atmosphere.

Chang, S.↗

NASA NTRSDate not supplied

On the Modeling of UAM Aircraft Community Noise in AEDT Helicopter Mode

In contrast to most commercial air traffic today, vehicles serving the urban air mobility (UAM) market are anticipated to operate within communities and be close to the public at large. The approved model for assessing environmental impact of air traffic actions in the United States, the Federal Aviation Administration (FAA) Aviation Environmental Design Tool (AEDT), does not directly support analysis of such operations. Prior work focused on modeling UAM aircraft within AEDT under fixed-wing mode. This paper addresses the modeling of UAM aircraft under helicopter mode, using requisite noise-power-distance data generated through analysis. Results are compared with those from the fixed-wing approach and a hybrid approach. The latter models some flight segments in fixed-wing mode and others in helicopter mode.

aircraft community noise↗

DOE OSTI2024

Quantifying microbial roles in environmental iron oxidation via an integrated kinetics, `omics and metabolic modeling study (Final Report)

Iron oxyhydroxides are extremely reactive components of environmental systems, and therefore exert a strong influence on biogeochemical cycles. These oxyhydroxides strongly adsorb many biologically-relevant elements, including organic carbon and phosphate, as well as a wide range of metals including uranium and actinide species. Thus, the formation mechanism of iron oxyhydroxides are key to understanding both nutrient and contaminant cycling. Microorganisms can catalyze iron oxidation and promote the formation of Fe biominerals and thus are increasingly recognized as important players in biogeochemical cycling. However, it is completely unknown how much of environmental iron oxidation is biologically mediated versus abiotic, and various challenges in studying microbial iron oxidation have hindered accurate incorporation into hydrobiogeochemical models. The overarching goal of our work was to quantify and constrain microbial iron oxidation rates and use ‘omics to gain insight into the controls on this process, while developing tools to enable integration of biotic iron oxidation into hydrobiogeochemical models. Our work focused on the Savannah River Site (SRS) in South Carolina, where extensive microbial iron oxidation has been observed. At Tims Branch, part of the Argonne National Laboratory Wetland Hydrobiogeochemistry Science Focus Area (Argonne SFA), where groundwater discharges into a stream, iron-oxidizing microbial mats form and appear to be a major sink of uranium. In the wetlands that surround Tims Branch, there are wide swaths of iron microbial mats and flocs (mobilized mat). We measured biotic and abiotic iron oxidation rates using mats and water sampled from these sites and found that iron oxidation is primarily carried out by chemolithotrophic microorganisms. The resulting rate constants can be incorporated into models. These mats were characterized by metagenomics and metatranscriptomics, which showed that aerobic chemolithotrophs were the dominant iron-oxidizing bacteria (FeOB), and these included Gallionellaceae and Leptothrix, and possibly Rhodoferax, which is known as an Fe-reducer but may also oxidize Fe(II). This demonstrated that diverse FeOB can coexist and suggests that there are a range of niches and therefore drivers of chemolithotrophic iron oxidation. Analysis of reconstructed genomes strongly suggests that a major factor in diversity is carbon source, as genomes contained varied pathways for autotrophy and heterotrophy. We performed an in-depth analysis of Leptothrix ochracea genomes, since this sheath-former is one of the primary mat builders, yet its physiology remained unresolved. A combination of genomics, transcriptomics, and metabolic modeling suggest that L. ochracea grows mixotrophically using a combination of Fe(II) and organics for energy and both inorganic and organic carbon to create biomass. This contrasts with the largely autotrophic Gallionellaceae (Gallionella, Sideroxydans, and Ferriphaselus) also present in the mats and flocs. Remarkably, multiple FeOB, both Leptothrix and Gallionellaceae, showed activity in response to Fe(II) in live mat incubations. We tracked the gene expression of individual MAGs to Fe(II) and found that various autotrophic and heterotrophic FeOB responded to Fe(II), increasing expression of both carbon fixation and organic utilization genes. The results of the integrated field, kinetics, and omics studies give detailed insight into 1) the taxa that oxidize Fe, and 2) how they connect Fe, C, and N cycles. Towards the goal of connecting omics data to hydrobiogeochemical models, we worked with the KBase team to create a template metabolic model for chemolithotrophic iron oxidation. We initially modeled the well-characterized isolate Gallionellaceae Sideroxydans lithotrophicus, and also applied the model to the mixotroph L. ochracea. In all, we have characterized diverse FeOB in a representative wetland system and solved key problems that enable better incorporation of iron-oxidizing microbes into hydrobiogeochemical models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2012

Improved Impact of Atmospheric Infrared Sounder (AIRS) Radiance Assimilation in Numerical Weather Prediction

Improvements to global and regional numerical weather prediction (NWP) have been demonstrated through assimilation of data from NASA s Atmospheric Infrared Sounder (AIRS). Current operational data assimilation systems use AIRS radiances, but impact on regional forecasts has been much smaller than for global forecasts. Retrieved profiles from AIRS contain much of the information that is contained in the radiances and may be able to reveal reasons for this reduced impact. Assimilating AIRS retrieved profiles in an identical analysis configuration to the radiances, tracking the quantity and quality of the assimilated data in each technique, and examining analysis increments and forecast impact from each data type can yield clues as to the reasons for the reduced impact. By doing this with regional scale models individual synoptic features (and the impact of AIRS on these features) can be more easily tracked. This project examines the assimilation of hyperspectral sounder data used in operational numerical weather prediction by comparing operational techniques used for AIRS radiances and research techniques used for AIRS retrieved profiles. Parallel versions of a configuration of the Weather Research and Forecasting (WRF) model with Gridpoint Statistical Interpolation (GSI) that mimics the analysis methodology, domain, and observational datasets for the regional North American Mesoscale (NAM) model run at the National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC) are run to examine the impact of each type of AIRS data set. The first configuration will assimilate the AIRS radiance data along with other conventional and satellite data using techniques implemented within the operational system; the second configuration will assimilate AIRS retrieved profiles instead of AIRS radiances in the same manner. Preliminary results of this study will be presented and focus on the analysis impact of the radiances and profiles for selected cases.

Zavodsky, Bradley↗

DOE OSTI2025

Environmental Thermodynamic Effects on Future Changes of Mesoscale Convective Systems and Isolated Deep Convection Over the US: A Case Study

Mesoscale convective systems (MCSs) and isolated deep convection (IDC) significantly influence local weather conditions and the hydrological cycle across the United States. Their future changes under warming is critical to the society. However, the exact impacts of thermodynamic environmental changes on them are difficult to resolve using climate model simulations which integrate both dynamic and thermodynamic factors. This study explores a theoretical modeling approach to isolate environmental thermodynamic effects on their future changes through a case study. For a 50-day period during the 2020 summer, a pair of convection-permitting model simulations indicate contrasting changes in MCSs and IDC between inland and coastal regions under pseudo global warming. Driven by the thermodynamic environments of these simulations, a single-column parcel model indicates a decrease in the frequency of IDC occurrences, along with increases in duration and precipitation amount under warming, attributable to rising most unstable convective available potential energy (MUCAPE), convective inhibition (MUCIN), and precipitable water (PW). A multi-column parcel model reveals contrasting changes in the frequency and mean area of MCSs between inland and coastal regions, underscoring the increase in mean MUCIN over inland regions and increases in mean MUCAPE and PW over coastal regions. The increase in mean MCS area over inland regions is linked to the interplay between accelerated gust fronts and enhanced subsidence strength, which is further traced to the unchanged mean MUCIN but increased mean MUCAPE in large-scale environments. In conclusion, these case study results suggest a major role of thermodynamic environmental changes in controlling characteristics of MCSs and IDC under warming.

Mesoscale convective system↗

DOE OSTI2020

Integrating field observations and process-based modeling to predict watershed water quality under environmental perturbations

Watersheds play a critical role in supplying water resources needed for human use and ecosystem health. Understanding and predicting how, when, and where changes in the quantity and quality of water resources occur under different environmental stresses including extreme events is crucial for sustainable management of water resources under a changing environment. However, few studies have attempted to quantify or identify the factors and process interactions controlling the impact of extreme events across water-shed systems. Only few large-scale studies include coordinated monitoring and modeling efforts, which limits our ability to assess the large-scale impact of extreme events on water supply and quality. Methods are lacking to propagate uncertainty in process understanding through an integrated hydro-biogeochemical model framework and evaluate its importance, thus failing to take full advantage of the information potentially available through transformative advances in characterization technologies from high-resolution mass spectrometry to airborne and satellite-based remote sensing. There are consequent risks to our nations water security and to human and ecosystem health that may become exacerbated with the increasing frequency of extreme events that is projected for the coming decades. This paper reviews the current status of watershed science for both water quantity and quality and identifies critical gaps in our current knowledge and modeling capability in addressing the emergent needs in predicting watershed hydrologic and biogeochemical responses (i.e., water quantity and quality) under natural and anthropogenic perturbations. We highlight the need to (1) understand how environmental perturbations including extreme events like floods and droughts propagate through watershed systems and assess their short- and long-term impacts on watershed biogeochemistry, water quality and their recovery pathways; (2) develop and improve a watershed water quality model that reflects the state of scientific understanding gained from observations; and (3) construct a data-model fusion system for watershed characterization, process identification, and mechanistic model parameterization. A large base of modeling, monitoring and data capabilities have been built by various federal government agencies given the relevance of water to their critical missions. An emerging need is to build an integrated national capability for watershed water availability and quality that can address water-related missions across multiple federal agencies.

13 HYDRO ENERGY↗

DOE OSTI2020

BEPAM Model Code and CABBI Simulation Results for "The Economic and Environmental Costs and Benefits of the Renewable Fuel Standard"

This dataset contains BEPAM model code and input data to replicate the outcomes for "The Economic and Environmental Costs and Benefits of the Renewable Fuel Standard". The dataset consists of: (1) The replication codes and data for the BEPAM model. The code file is named as output.gms. (BEPAM-Social cost model-ERL.zip) (2) Simulation results from the BEPAM model (BEPAM_Simulation_Results.csv) * Item (1) is in GAMS format. Item (2) is in text format.

Cost-Benefit Analysis↗

DOE OSTI2025

Explainable machine learning to quantify the value of proximal remote sensing in latent energy flux estimation

Proximal remote sensing has the potential to provide critical information on vegetation biophysical factors that can predict land-atmosphere exchange of water and energy. Latent energy (LE) flux is traditionally estimated using process-based models which rely on vegetation parameters that change during the growing season. Data-driven models have the potential to address these issues by offering flexible predictor selection and more efficient utilization of the information in predictor sets. These models require careful choice of predictors to avoid redundancy and allow robust cross-validation. In this study we present a systematic and comprehensive evaluation of machine learning (ML) models to assess the capability of meteorological and proximal sensing data for predicting LE at a half-hourly temporal resolution across multiple growing seasons for an agricultural system. The results presented here demonstrate that a model using four environmental predictors in combination with two proximal sensing variables can capture 88 % of the variability in LE. ML models using only three predictors (one meteorological and two proximal remote sensing) captured 81 % of LE variability, offering the best trade-off between performance and complexity. An ML model utilizing only two predictors, one proximal remote sensing variable and downwelling radiation, captured 77 % of LE variability. These results demonstrate the power of proximal remote sensing and meteorological observations to estimate land-atmosphere water vapor exchange, providing a solution where more direct methods such as eddy covariance are not available and for evaluations of agronomic management and genotypic variations.

60 APPLIED LIFE SCIENCES↗

NASA NTRSDate not supplied

Community Noise Assessment of Urban Air Mobility Vehicle Operations using the FAA Aviation Environmental Design Tool

In contrast to most commercial air traffic today, vehicles serving the urban air mobility (UAM) market are anticipated to operate in communities close to the public at large. The approved model for assessing environmental impact of air traffic actions in the United States, the Federal Aviation Administration’s Aviation Environmental Design Tool (AEDT), does not support analysis of such operations due to a combined lack of a UAM aircraft performance model and aircraft noise data. This paper discusses the initial development of a method to assess the acoustic impact of UAM fleet operations on the community using AEDT and demonstrates its use for representative UAM operations. In particular, methods were developed using fixed-point flight profiles and user-supplied noise data in a manner that avoids unwanted behavior in AEDT. A set of 32 routes in the Dallas-Ft. Worth area were assessed for single and multiple (fleet) operations for two concept vehicles.

urban air mobility↗

NASA NTRSDate not supplied

Community Noise Assessment of Urban Air Mobility Vehicle Operations using the FAA Aviation Environmental Design Tool

urban air mobility↗

DOE OSTI2026

Data for A Hybrid Biophysical-Machine Learning Framework for Diurnal Surface Energy Flux Estimation Using Proximal Sensing

Thermal infrared-based remote sensing of surface energy fluxes has traditionally relied on high spatial resolution satellite data with revisit frequencies on the order of weeks. In this study, we evaluate a biophysics-based analytical surface energy balance model for predicting latent energy (LE) and sensible heat (H) fluxes using proximal sensing observations. The Surface Temperature Initiated Closure (STIC1.2) model has been extensively validated across a wide range of spatial and temporal scales using various satellite-derived thermal infrared data sets. Here we extend this validation by applying STIC at sub-hourly temporal resolution over multiple growing seasons for four distinct agricultural systems. We further develop and evaluate novel STIC variants that incorporate machine learning (ML) techniques to eliminate the need for surface energy balance observations, specifically net radiation and soil heat flux, thereby enhancing model applicability in data-sparse settings. The integration of a ML component to estimate surface available energy is shown to have strong predictive performance for both LE (R2 = 0.81–0.94) and H (R2 = 0.46–0.72) across all agricultural systems examined here, demonstrating the potential of hybrid biophysical-machine learning approaches for surface energy balance modeling with minimal data requirements. This study concludes with a novel application of explainable machine learning (exML) to diagnose sources of model error. This exML framework attributes residual prediction errors to both model input variables and environmental drivers not explicitly included in the simulation experiments. This approach provides a new pathway for improving model design and integrating previously overlooked yet influential variables into future model iterations.

AI/ML↗

DOE OSTI2023

CompLaB v1.0: a scalable pore-scale model for flow, biogeochemistry, microbial metabolism, and biofilm dynamics

Abstract. Microbial activity and chemical reactions in porous media depend on the local conditions at the pore scale and can involve complex feedback with fluid flow and mass transport. We present a modeling framework that quantitatively accounts for the interactions between the bio(geo)chemical and physical processes and that can integrate genome-scale microbial metabolic information into a dynamically changing, spatially explicit representation of environmental conditions. The model couples a lattice Boltzmann implementation of Navier–Stokes (flow) and advection–diffusion-reaction (mass conservation) equations. Reaction formulations can include both kinetic rate expressions and flux balance analysis, thereby integrating reactive transport modeling and systems biology. We also show that the use of surrogate models such as neural network representations of in silico cell models can speed up computations significantly, facilitating applications to complex environmental systems. Parallelization enables simulations that resolve heterogeneity at multiple scales, and a cellular automaton module provides additional capabilities to simulate biofilm dynamics. The code thus constitutes a platform suitable for a range of environmental, engineering and – potentially – medical applications, in particular ones that involve the simulation of microbial dynamics.

58 GEOSCIENCES↗

DOE OSTI2023

An Interpretable Index of Social Vulnerability to Environmental Hazards

Index-based measures of social vulnerability to environmental hazards are commonly modeled from composites of population-level risk factors. These models overlook individual context in communities' experiences of environmental hazards, producing metrics that may hinder spatial decision support for mitigating and responding to hazards. This paper introduces an interpretable, high-resolution model for generating an individual-oriented social vulnerability index (IOSVI) for the United States built on synthetic populations that couples individual and social determinants of vulnerability. The IOSVI combines an individual vulnerability index (IVI) that ranks individuals in an area’s synthetic population based on intersecting risk factors, with a social vulnerability index (SVI) based on the population’s cumulative distribution of IVI scores. Interpretability of the IOSVI procedure is demonstrated through examples of national, metropolitan, and neighborhood (census tract) level spatial variation in index scores and IVI themes, as well as an exploratory analysis examining risk factors affecting a specific sub-population (military veterans) in areas of high social and environmental vulnerability.

Tuccillo, Joe↗

DOE OSTI2026

Movement Models to Predict Low‐Altitude Flight of Soaring Birds Using Look‐Ahead Environmental Factors

Advances in fine-scale movement modeling of soaring birds can aid efforts to understand and resolve the impacts of anthropogenic activities on such birds. Soaring birds often rely on underlying terrain and low-altitude updrafts to govern their flights at rotor-swept altitudes (≤ 200 m above ground level), which puts them at risk of collision with wind turbines. We developed a data-driven Markov model at 1-s resolution that predicts the fine-scale flight behavior of golden eagles (Aquila chrysaetos) as a function of ecological covariates at the current location as well as those within an eagle's line of sight. We only considered ecological covariates that are readily available in real-time (ground elevation and wind conditions). Latent factors (age, sex, species, behavioral intent, migratory status) were intentionally left out of the model. We calibrated the model using golden eagle telemetry data collected in two different ecoregions of the United States. Given a starting location, the calibrated model simulates multiple stochastic 3D paths to produce a time-explicit and spatially explicit risk map of turbine collisions. We discovered an empirical relation between the rate of change of heading and the orographic updraft conditions within an eagle's line of sight. Our model performed most effectively when predicting predominantly-soaring flights at rotor-swept altitudes during wind conditions in which turbines are likely to be operational. The calibrated model could be used in concert with automated eagle detection and turbine curtailment technologies. Specifically, once an eagle is detected by those systems, our model could then provide accurate predictions of turbines the eagle is likely to interact with in the near term.

17 WIND ENERGY↗

DOE OSTI2021

Evaluating the Lagrangian Evolution of Subtropical Low Clouds in GCMs Using Observations: Mean Evolution, Time Scales, and Responses to Predictors

In this work, a Lagrangian framework is developed to show the daily-scale time evolution of low clouds over the eastern subtropical oceans. An identical framework is applied to two general circulation models (GCMs): the CAM5 and UKMET and a set of satellite observations. This approach follows thousands of parcels as they advect downwind in the subtropical trade winds, comparing cloud evolution in time and space. This study tracks cloud cover, in-cloud liquid water path (CLWP), droplet concentration $N_d$, planetary boundary layer (PBL) depth, and rain rate as clouds transition from regions with predominately stratiform clouds to regions containing mostly trade cumulus. The two models generate fewer clouds with greater $N_d$ relative to observations. Models show stronger Lagrangian cloud cover decline and greater PBL deepening when compared with observations. In comparing frequency distributions of cloud variables over time, it is seen that models generate increasing frequencies of nearly clear conditions at the expense of overcast conditions, whereas observations show transitions from overcast to cloud amounts between 50% and 90%. Lagrangian decorrelation time scales ($\mathcal{e}$-folding time $\tau$) of cloud cover and CLWP are between 11 and 19 h for models and observations, although they are a bit shorter for models. A Lagrangian framework applied here resolves and compares the time evolution of cloud systems as they adjust to environmental perturbations in models and observations. Increasing subsidence in the overlying troposphere leads to declining cloud cover, CLWP, PBL depth, and rain rates in models and observations. Modeled cloud responses to other meteorological variables are less consistent with observations, suggesting a need for continuing mechanical improvements in GCMs.

58 GEOSCIENCES↗

NASA NTRS1994

Effect of lightning on the concentration of odd nitrogen species in the lower stratosphere: An update

Revised model estimates of the effect of lightning on the lower stratospheric NOy are presented. Several changes in the Atmospheric and Environmental Research Incorporated model were made since the last evaluation of the impact of lightning. Improvements were made in the model circulation and location of tropopause in the tropics, which is now calculated from the National Meteorological Center temperature data. Changes in model circulation reduced the mass flux from the troposphere to the tropical stratosphere. The calculated mass fluxes are found to agree better with some recent estimates. The circulation changes also reduced the advective mass flux from the tropical lower stratosphere to the midlatitudes. The change in circulation and the change in the tropopause height lead to increases in the calculated concentration of N2O, O3 and NOy in the tropical lower stratosphere. The effect of lightning is to increase the calculated concentration of NOy around 64 mbar by a factor of 2, compared to a factor of 10 enhancement in the previous calculations. Comparison with the Stratosphere Troposphere Exchange Project 1987 data indicates that the inclusion of a lightning source brings the model results in closer agreement with the observations.

Kotamarthi, V. R.↗

NASA NTRS1988

Appendices to the model description document for a computer program for the emulation/simulation of a space station environmental control and life support system

A Model Description Document for the Emulation Simulation Computer Model was already published. The model consisted of a detailed model (emulation) of a SAWD CO2 removal subsystem which operated with much less detailed (simulation) models of a cabin, crew, and condensing and sensible heat exchangers. The purpose was to explore the utility of such an emulation simulation combination in the design, development, and test of a piece of ARS hardware, SAWD. Extensions to this original effort are presented. The first extension is an update of the model to reflect changes in the SAWD control logic which resulted from test. Also, slight changes were also made to the SAWD model to permit restarting and to improve the iteration technique. The second extension is the development of simulation models for more pieces of air and water processing equipment. Models are presented for: EDC, Molecular Sieve, Bosch, Sabatier, a new condensing heat exchanger, SPE, SFWES, Catalytic Oxidizer, and multifiltration. The third extension is to create two system simulations using these models. The first system presented consists of one air and one water processing system. The second consists of a potential air revitalization system.

Yanosy, James L.↗

NASA NTRS2014

The Situational Awareness Sensor Suite for the ISS (SASSI): A Mission Concept to Investigate ISS Charging and Wake Effects

The complex interaction between the International Space Station (ISS) and the surrounding plasma environment often generates unpredictable environmental situations that affect operations. Examples of affected systems include extravehicular activity (EVA) safety, solar panel efficiency, and scientific instrument integrity. Models and heuristically‐derived best practices are well‐suited for routine operations, but when it comes to unusual or anomalous events or situations, especially those driven by space weather, there is no substitute for real‐time monitoring. Space environment data collected in real‐time (or near‐real time) can be used operationally for both real‐time alarms and data sources in assimilative models to predict environmental conditions important for operational planning. Fixed space weather instruments mounted to the ISS can be used for monitoring the ambient space environment, but knowing whether or not (or to what extent) the ISS affects the measurements themselves requires adequate space situational awareness (SSA) local to the ISS. This paper presents a mission concept to use a suite of plasma instruments mounted at the end of the ISS robotic arm to systematically explore the interaction between the Space Station structure and its surrounding environment. The Situational Awareness Sensor Suite for the ISS (SASSI) would be deployed and operated on the ISS Express Logistics Carrier (ELC) for long‐term "survey mode" observations and the Space Station Remote Manipulator System (SSRMS) for short‐term "campaign mode" observations. Specific areas of investigation include: 1) ISS frame and surface charging during perturbations of the local ISS space environment, 2) calibration of the ISS Floating Point Measurement Unit (FPMU), 3) long baseline measurements of ambient ionospheric electric potential structures, 4) electromotive force-induced currents within large structures moving through a magnetized plasma, and 5) wake‐induced ion waves in both electrostatic (i.e. particles) and electromagnetic modes. SASSI will advance the understanding of plasma‐boundary interaction phenomena, demonstrate a suite a sensors acting in concert to provide effective SSA, and validate and/or calibrate existing ISS space environment instruments and models.

Krause, L. Habash↗