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NASA NTRS2017

Chapter 15: Potential Surprises: Compound Extremes and Tipping Elements

The Earth system is made up of many components that interact in complex ways across a broad range of temporal and spatial scales. As a result of these interactions the behavior of the system cannot be predicted by looking at individual components in isolation. Negative feedbacks, or self-stabilizing cycles, within and between components of the Earth system can dampen changes (Ch. 2: Physical Drivers of Climate Change). However, their stabilizing effects render such feedbacks of less concern from a risk perspective than positive feedbacks, or self-reinforcing cycles. Positive feedbacks magnify both natural and anthropogenic changes. Some Earth system components, such as arctic sea ice and the polar ice sheets, may exhibit thresholds beyond which these self-reinforcing cycles can drive the component, or the entire system, into a radically different state. Although the probabilities of these state shifts may be difficult to assess, their consequences could be high, potentially exceeding anything anticipated by climate model projections for the coming century.

Kopp, R. E.↗

NASA NTRS2007

Submicrometer Organic Grains: Widespread Constituents of the Early Solar System

Primitive meteorites and interplanetary dust particles (IDPs) contain remants of interstellar organic matter, marked by anomalous H and N isotopic ratios. These isotopic anomalies are attributed to mass fractionation during chemical reactions at cryogenic temperatures (10-100K) in a cold molecular cloud. Significant variations in the chemistry and isotopic compositions of organic compounds within and between these samples suggest varying histories of alteration and dilution of the presolar components. Recent studies have reported large H and N isotopic anomalies preserved in sub-m organic inclusions in both meteorites and IDPs. In the Tagish Lake meteorite, the largest H and N isotopic anomalies are associated with sub-m, hollow organic globules. The common physical, chemical, and isotopic characteristics of these globules suggest that they formed before being incorporated into their parent meteorite. These organic globules probably originated as organic ice coatings that formed on preexisting ice or mineral grains in a cold molecular cloud. Radiation driven photochemistry may have processed them into refractory organic grains. This model implies that submicrometer organic grains were widely distributed throughout the solar nebula during the epoch of planet formation. Submicrometer organic particles were detected by the Giotto and Vega encounters with comet Halley, termed CHON particles based on their major element chemistry. The first direct samples of cometary dust (comet Wild-2) were returned by the Stardust spacecraft in January 2006. These samples exhibit widely varying, fine grained mineralogy similar to anhydrous IDPs, including submicrometer carbonaceous grains. The submicrometer organic grains from comet Wild-2 exhibit H and N isotopic anomalies of similar magnitude to those commonly observed in primitive meteorites and IDPs. Isotopically anomalous, submicrometer organic grains have now been observed in meteorites, IDPs, the Oort-cloud comet Halley, and the Kuiper-belt comet Wild-2, suggesting that such grains were prevalent throughout the protoplanetary disk.

Messenger, Scott↗

NASA NTRS2023

Characterization of Errors in Satellite-Based HCHO/NO 2 Tropospheric Column Ratios With Respect to Chemistry, Column-to-PBL Translation, Spatial Representation, and Retrieval Uncertainties

The availability of formaldehyde (HCHO) (a proxy for volatile organic compound reactivity) and nitrogen dioxide (NO 2 ) (a proxy for nitrogen oxides) tropospheric columns from ultraviolet–visible (UV–Vis) satellites has motivated many to use their ratios to gain some insights into the near-surface ozone sensitivity. Strong emphasis has been placed on the challenges that come with transforming what is being observed in the tropospheric column to what is actually in the planetary boundary layer (PBL) and near the surface; however, little attention has been paid to other sources of error such as chemistry, spatial representation, and retrieval uncertainties. Here we leverage a wide spectrum of tools and data to quantify those errors carefully. Concerning the chemistry error, a well-characterized box model constrained by more than 500 h of aircraft data from NASA's air quality campaigns is used to simulate the ratio of the chemical loss of HO 2 + RO 2 (LRO x ) to the chemical loss of NO x (LNO x ). Subsequently, we challenge the predictive power of HCHO/NO 2 ratios (FNRs), which are commonly applied in current research, in detecting the underlying ozone regimes by comparing them to LRO x /LNO x . FNRs show a strongly linear (R 2 =0.94) relationship with LRO x /LNO x , but only on the logarithmic scale. Following the baseline (i.e., ln(LRO x /LNO x ) = −1.0 ± 0.2) with the model and mechanism (CB06, r2) used for segregating NO x -sensitive from VOC-sensitive regimes, we observe a broad range of FNR thresholds ranging from 1 to 4. The transitioning ratios strictly follow a Gaussian distribution with a mean and standard deviation of 1.8 and 0.4, respectively. This implies that the FNR has an inherent 20 % standard error (1σ) resulting from not accurately describing the RO x –HO x cycle. We calculate high ozone production rates (PO 3 ) dominated by large HCHO × NO 2 concentration levels, a new proxy for the abundance of ozone precursors. The relationship between PO 3 and HCHO × NO 2 becomes more pronounced when moving towards NO x -sensitive regions due to nonlinear chemistry; our results indicate that there is fruitful information in the HCHO × NO 2 metric that has not been utilized in ozone studies. The vast amount of vertical information on HCHO and NO 2 concentrations from the air quality campaigns enables us to parameterize the vertical shapes of FNRs using a second-order rational function permitting an analytical solution for an altitude adjustment factor to partition the tropospheric columns into the PBL region. We propose a mathematical solution to the spatial representation error based on modeling isotropic semivariograms. Based on summertime-averaged data, the Ozone Monitoring Instrument (OMI) loses 12 % of its spatial information at its native resolution with respect to a high-resolution sensor like the TROPOspheric Monitoring Instrument (TROPOMI) (> 5.5 × 3.5 km 2 ). A pixel with a grid size of 216 km 2 fails at capturing ∼ 65 % of the spatial information in FNRs at a 50 km length scale comparable to the size of a large urban center (e.g., Los Angeles). We ultimately leverage a large suite of in situ and ground-based remote sensing measurements to draw the error distributions of daily TROPOMI and OMI tropospheric NO 2 and HCHO columns. At a 68 % confidence interval (1σ), errors pertaining to daily TROPOMI observations, either HCHO or tropospheric NO 2 columns, should be above 1.2–1.5 × 10 16 molec. cm −2 to attain a 20 %–30 % standard error in the ratio. This level of error is almost non-achievable with the OMI given its large error in HCHO. The satellite column retrieval error is the largest contributor to the total error (40 %–90 %) in the FNRs. Due to a stronger signal in cities, the total relative error (< 50 %) tends to be mild, whereas areas with low vegetation and anthropogenic sources (e.g., the Rocky Mountains) are markedly uncertain (> 100 %). Our study suggests that continuing development in the retrieval algorithm and sensor design and calibration is essential to be able to advance the application of FNRs beyond a qualitative metric.

Amir H. Souri↗

NASA NTRS1986

Measurements of physical properties of model Titan atmospheres

One aspect of the study of Titan's atmosphere is the elucidation of the chemical and physical nature of the aerosols. In order to facilitate this, a program to produce laboratory synthesized model materials for Titan's aerosol and to study their chemical and physical properties is now in progress. Various processes, including electric discharge, photolysis by ultraviolet light, and irradiation by energetic particles, will be used to produce the materials. A first set of experiments where a nominal Titan mixture (97%N2, 3% CH4, 0.2% H2) was subjected to pulsed high temperature shocks yielded a reddish brown waxy solid. This material was subjected to pyrolysis/gas chromatography, a technique that has been proposed as a method for analysis of the Titan aerosols. Preliminary results show the material to consist of simple hydrocarbons but little else, at least up to temperatures of 600 C. Since the material was colored, compounds other than those mentioned above must be present.

Scattergood, T. W.↗

NASA NTRS1999

Collaborative Analysis Tool for Thermal Protection Systems for Single Stage to Orbit Launch Vehicles

Alexander, Reginald Andrew↗

NASA NTRS1999

A Collaborative Analysis Tool for Thermal Protection Systems for Single Stage to Orbit Launch Vehicles

Presented is a design tool and process that connects several disciplines which are needed in the complex and integrated design of high performance reusable single stage to orbit (SSTO) vehicles. Every system is linked to every other system and in the case of SSTO vehicles with air breathing propulsion, which is currently being studied by the National Aeronautics and Space Administration (NASA); the thermal protection system (TPS) is linked directly to almost every major system. The propulsion system pushes the vehicle to velocities on the order of 15 times the speed of sound in the atmosphere before pulling up to go to orbit which results high temperatures on the external surfaces of the vehicle. Thermal protection systems to maintain the structural integrity of the vehicle must be able to mitigate the heat transfer to the structure and be lightweight. Herein lies the interdependency, in that as the vehicle's speed increases, the TPS requirements are increased. And as TPS masses increase the effect on the propulsion system and all other systems is compounded. To adequately determine insulation masses for a vehicle such as the one described above, the aeroheating loads must be calculated and the TPS thicknesses must be calculated for the entire vehicle. To accomplish this an ascent or reentry trajectory is obtained using the computer code Program to Optimize Simulated Trajectories (POST). The trajectory is then used to calculate the convective heat rates on several locations on the vehicles using the Miniature Version of the JA70 Aerodynamic Heating Computer Program (MINIVER). Once the heat rates are defined for each body point on the vehicle, then insulation thicknesses that are required to maintain the vehicle within structural limits are calculated using Systems Improved Numerical Differencing Analyzer (SINDA) models. If the TPS masses are too heavy for the performance of the vehicle the process may be repeated altering the trajectory or some other input to reduce the TPS mass. The problem described is an example of the need for collaborative design and analysis. Analysis tools are being developed to facilitate these collaborative efforts. RECIPE is a cross-platform application capable of hosting a number of engineers and designers across the Internet for distributed and collaborative engineering environments. Such integrated system design environments allow for collaborative team design analysis for performing individual or reduced team studies. The analysis tools mentioned earlier are commonly run on different platforms and are usually run by different people. To facilitate the larger number of potential runs that may need to be made, RECIPE connects the computer codes that calculate the trajectory data, heat rate data, and TPS masses so that the output from each tool is easily transferred to the model input files that need it. This methodology is being applied to solve launch vehicle thermal design problems to shorten the design cycle, and enable the project team to evaluate design options. Results will be presented indicating the effectiveness of this as a collaborative design tool.

Alexander, Reginald A.↗

NASA NTRS1994

Photosynthetic fractionation of 13C and concentrations of dissolved CO2 in the central equatorial Pacific during the last 255,000 years

Carbon isotopically based estimates of CO2 levels have been generated from a record of the photosynthetic fractionation of 13C [is equivalent to epsilon(p)] in a central equatorial Pacific sediment core that spans the last approximately 255 ka. Contents of 13C in phytoplanktonic biomass were determined by analysis of C37 alkadienones. These compounds are exclusive products of Prymnesiophyte algae which at present grow most abundantly at depths of 70-90 m in the central equatorial Pacific. A record of the isotopic composition of dissolved CO2 was constructed from isotopic analyses of the planktonic foraminifera Neogloboquadrina dutertrei, which calcifies at 70-90 m in the same region. Values of epsilon(p), derived by comparison of the organic and inorganic delta values, were transformed to yield concentrations of dissolved CO2 [is equivalent to c(e)] based on a new, site-specific calibration of the relationship between epsilon(p) and c(e). The calibration was based on reassessment of existing epsilon(p) versus c(e) data, which support a physiologically based model in which epsilon(p) is inversely related to c(e). Values of PCO2, the partial pressure of CO2 that would be in equilibrium with the estimated concentrations of dissolved CO2, were calculated using Henry's law and the temperature determined from the alkenone-unsaturation index U(K/37). Uncertainties in these values arise mainly from uncertainties about the appropriateness (particularly over time) of the site-specific relationship between epsilon(p) and 1/c(e). These are discussed in detail and it is concluded that the observed record of epsilon(p) most probably reflects significant variations in delta pCO2, the ocean-atmosphere disequilibrium, which appears to have ranged from approximately 110 microatmospheres during glacial intervals (ocean > atmosphere) to approximately 60 microatmospheres during interglacials. Fluxes of CO2 to the atmosphere would thus have been significantly larger during glacial intervals. If this were characteristic of large areas of the equatorial Pacific, then greater glacial sinks for the equatorially evaded CO2 must have existed elsewhere. Statistical analysis of air-sea pCO2 differences and other parameters revealed significant (p<0.01) inverse correlations of delta pCO2 with sea surface temperature and with the mass accumulation rate of opal. The former suggests response to the strength of upwelling, the latter may indicate either drawdown of CO2 by siliceous phytoplankton or variation of [CO2]/[Si(OH)4] ratios in upwelling waters.

NASA Discipline Exobiology↗

NASA NTRSDate not supplied

The Search for New Molecular Species in the Atmosphere of Titan

The atmosphere of Saturn’s moon, Titan, contains a vast array of minor molecular constituents originating from the dissociation of its primary compounds, N2and CH4. The extent of Titan’s photochemical network was revealed by ionospheric measurements from the Cassini orbiter, leaving substantial gaps in the corresponding neutral inventory typically probed through infrared spectroscopy. Utilizing the unprecedented sensitivity and high spectral resolution of the Atacama Large Millimeter/submillimeter Array (ALMA) at longer wavelengths, we searched for additional trace gases in Titan’s atmosphere during 2016, 2017,and 2019to further characterize Titan’s atmospheric and surface composition. These observations have resulted in the spectroscopic detections of the small cyclic molecule, cyclopropenylidene (c-C3H2), and the largest nitrile to date, methyl cyanoacetylene (CH3C3N), for the first time in Titan’s atmosphere –or anywhere else in the Solar System. We employed radiative transfer models to determine the volume mixing ratio of both species in Titan’s middle and upper atmosphere (altitudes > 350 km)and constrained the total column densities for the incorporation into future photochemical models of Titan’s atmosphere. Discrepancies between these results and current models necessitates the need for dedicated laboratory and modeling studies regarding the production pathways for trace complex organics in Titan’s atmosphere. Additionally, the measurement of previously undetected molecular species provides further incentive for the study of planetary atmospheres in the (sub)millimeter regime with facilities such as ALMA.

A E Thelen↗

NASA NTRS2001

Neutron dosimetry in low-earth orbit using passive detectors

This paper summarizes neutron dosimetry measurements made by the USF Physics Research Laboratory aboard US and Russian LEO spacecraft over the past 20 years using two types of passive detector. Thermal/resonance neutron detectors exploiting the 6Li(n,T) alpha reaction were used to measure neutrons of energies <1 MeV. Fission foil neutron detectors were used to measure neutrons of energies above 1 MeV. While originally analysed in terms of dose equivalent using the NCRP-38 definition of quality factor, for the purposes of this paper the measured neutron data have been reanalyzed and are presented in terms of ambient dose equivalent. Dose equivalent rate for neutrons <1 MeV ranged from 0.80 microSv/d on the low altitude, low inclination STS-41B mission to 22.0 microSv/d measured in the Shuttle's cargo bay on the highly inclined STS-51F Spacelab-2 mission. In one particular instance a detector embedded within a large hydrogenous mass on STS-61 (in the ECT experiment) measured 34.6 microSv/d. Dose equivalent rate measurements of neutrons >1 MeV ranged from 4.5 microSv/d on the low altitude STS-3 mission to 172 microSv/d on the ~6 year LDEF mission. Thermal neutrons (<0.3 eV) were observed to make a negligible contribution to neutron dose equivalent in all cases. The major fraction of neutron dose equivalent was found to be from neutrons >1 MeV and, on LDEF, neutrons >1 MeV are responsible for over 98% of the total neutron dose equivalent. Estimates of the neutron contribution to the total dose equivalent are somewhat lower than model estimates, ranging from 5.7% at a location under low shielding on LDEF to 18.4% on the highly inclined (82.3 degrees) Biocosmos-2044 mission. c2001 Elsevier Science Ltd. All rights reserved.

Flight Experiment↗

NASA NTRS2004

Vibrational Spectroscopy at Cryogenic Temperatures: From the Laboratory to the Ends of the Universe

Polycyclic aromatic compounds (PAC) have been the subject of astrophysical interest for nearly two decades. Indeed, there is now evidence that these compounds are among the most abundant interstellar molecules, comprising perhaps 10 - 30% of all the carbon in our galaxy. Ranging in size from as few as 20 to as many as hundreds or thousands of carbon atoms, these molecules are enormous by interstellar standards and impact a wide range of astrophysical phenomena including: the near- and mid-infrared emission spectrum of a wide range of astronomical objects; the ultraviolet/visible/near-infrared absorption of the diffuse medium that permeates our galaxy; and the heating and cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of laboratory spectroscopic data on PAC under astrophysically relevant conditions (i.e. isolated, ionized molecules; ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model. Fortunately, the last decade has seen an explosion of experimental and theoretical techniques aimed specifically at addressing these issues. Here, we begin with a brief review of the evidence for the existence and abundance of interstellar PAC. From there, we move on to an overview of the general spectroscopic characteristics of the range of isolated, neutral and ionized PAC that we have studied over the last decade. Finally, we will conclude with a consideration of the astrophysical implications and applications of interstellar PAC. Our discussion will revolve primarily around the observed interstellar infrared emission spectra and the ability of the laboratory spectra of varying combinations of PAC to accommodate both the global appearance and the region-to-region variability of this emission. Careful models based on sound laboratory spectroscopic data such as these now have the potential to provide insight into the structure, abundance, and ionization state of the interstellar PAC population. That, in turn, will provide direct insight into the processes of carbon nucleation, growth and evolution as matter is processed through the interstellar medium.

Hudgins, Douglas M.↗

NASA NTRS2012

Global Air Quality and Climate

Emissions of air pollutants and their precursors determine regional air quality and can alter climate. Climate change can perturb the long-range transport, chemical processing, and local meteorology that influence air pollution. We review the implications of projected changes in methane (CH4), ozone precursors (O3), and aerosols for climate (expressed in terms of the radiative forcing metric or changes in global surface temperature) and hemispheric-to-continental scale air quality. Reducing the O3 precursor CH4 would slow near-term warming by decreasing both CH4 and tropospheric O3. Uncertainty remains as to the net climate forcing from anthropogenic nitrogen oxide (NOx) emissions, which increase tropospheric O3 (warming) but also increase aerosols and decrease CH4 (both cooling). Anthropogenic emissions of carbon monoxide (CO) and non-CH4 volatile organic compounds (NMVOC) warm by increasing both O3 and CH4. Radiative impacts from secondary organic aerosols (SOA) are poorly understood. Black carbon emission controls, by reducing the absorption of sunlight in the atmosphere and on snow and ice, have the potential to slow near-term warming, but uncertainties in coincident emissions of reflective (cooling) aerosols and poorly constrained cloud indirect effects confound robust estimates of net climate impacts. Reducing sulfate and nitrate aerosols would improve air quality and lessen interference with the hydrologic cycle, but lead to warming. A holistic and balanced view is thus needed to assess how air pollution controls influence climate; a first step towards this goal involves estimating net climate impacts from individual emission sectors. Modeling and observational analyses suggest a warming climate degrades air quality (increasing surface O3 and particulate matter) in many populated regions, including during pollution episodes. Prior Intergovernmental Panel on Climate Change (IPCC) scenarios (SRES) allowed unconstrained growth, whereas the Representative Concentration Pathway (RCP) scenarios assume uniformly an aggressive reduction, of air pollutant emissions. New estimates from the current generation of chemistry-climate models with RCP emissions thus project improved air quality over the next century relative to those using the IPCC SRES scenarios. These two sets of projections likely bracket possible futures. We find that uncertainty in emission-driven changes in air quality is generally greater than uncertainty in climate-driven changes. Confidence in air quality projections is limited by the reliability of anthropogenic emission trajectories and the uncertainties in regional climate responses, feedbacks with the terrestrial biosphere, and oxidation pathways affecting O3 and SOA.

ozone↗

NASA NTRS2012

The Pursuit of K: Reflections on the Current State-of-the-Art in Stress Intensity Factor Solutions for Practical Aerospace Applications

The elastic stress intensity factor (SIF, commonly denoted as K) is the foundation of practical fracture mechanics (FM) analysis for aircraft structures. This single parameter describes the first-order effects of stress magnitude and distribution as well as the geometry of both structure/component and crack. Hence, the calculation of K is often the most significant step in fatigue analysis based on FM. This presentation will provide several reflections on the current state-of-the-art in SIF solution methods used for practical aerospace applications, including a brief historical perspective, descriptions of some recent and ongoing advances, and comments on some remaining challenges. Newman and Raju made significant early contributions to practical structural analysis by developing closed-form SIF equations for surface and corner cracks in simplified geometries, often based on empirical fits of finite element (FE) solutions. Those solutions (and others like them) were sometimes revised as new analyses were conducted or limitations discovered. The foundational solutions have exhibited striking longevity, despite the relatively "coarse" FE models employed many decades ago. However, in recent years, the accumulation of different generations of solutions for the same nominal geometry has led to some confusion (which solution is correct?), and steady increases in computational capabilities have facilitated the discovery of inaccuracies in some (not all!) of the legacy solutions. Some examples of problems and solutions are presented and discussed, including the challenge of maintaining consistency with legacy design applications. As computational power has increased, the prospect of calculating large numbers of SIF solutions for specific complex geometries with advanced numerical methods has grown more attractive. Fawaz and Andersson, for example, have been generating literally millions of new SIF solutions for different combinations of multiple cracks under simplified loading schemes using p-version FE methods. These data are invaluable, but questions remain about their practical use, because the tabular databases of key results needed to support practical life analysis can occupy gigabytes of storage for only a few classes of geometries. The prospect of using such advanced numerical methods to calculate in real time only those K solutions actually needed to support a specific crack growth analysis is also tempting, but the stark reality is that the computational cost is still so high that the approach is not practical except for specific, critical application problems. Some thoughts are offered about alternative paradigms. Compounding approaches are some of the earliest building blocks of SIF development for more complex geometries. These approaches are especially attractive because of their very low computational cost and their conceptual robustness; they are, in some ways, an intriguing contrast and complement to the brute-force numerical methods. In recent years, researchers at NRC-Canada have published remarkable results showing how compounding approaches can be used to generate accurate solutions for very difficult problems. Examples are provided of some successes--and some limitations--using this approach. These closed-form, tabulated numerical, and compounding approaches have typically been used for simple remote loading with simple load paths to the crack. However, many significant cracks occur in complex stress gradient fields. This is a job for weight function (WF) methods, where the arbitrary stress distribution on the crack plane in the corresponding uncracked body (typically determined using FE methods) is used to determine K. Several significant recent advances in WF methods and solutions are highlighted here. Fueled by advanced 3D numerical methods, many new solutions have been generated for classic geometries such as surface and corner cracks with wide ranges of geometrical validity. A new WF formulation has also be developed for part-through cracks considering the arbitrary stress gradients in all directions in the crack plane (so-called bivariant solutions). Basic WF methods have recently been combined with analytical expressions for crack plane stresses to develop a large family of accurate SIF solutions for corner, surface, and through cracks at internal or external notches with very wide ranges of shapes, sizes, acuities, and offsets. Finally, WF solutions are much faster than FE or boundary element solutions, but can still be much slower than simple closed-form solutions, especially for bivariant solutions that can require 2D numerical integration. Novel pre-integration and dynamic tabular methods have been developed that substantially increase the speed of these advanced WF solutions. The practical utility of advanced SIF methods, including both WF and direct numerical methods, is greatly enhanced if the FM life analysis can be directly and efficiently linked with digital models of the actual structure or component (e.g., FE models for stress analysis). Two recent advances of this type will be described. One approach directly interfaces the FM life analysis with the FE model of the uncracked component (including stress results). Through a powerful graphical user interface, simplified FM life models can be constructed (and visualized) directly on the component model, with the computer collecting the geometry and stress gradient information needed for the life calculation. An even more powerful paradigm uses expert logic to automatically build an optimum simple fracture model at any and every desired location in the component model, perform the life calculation, and even generate fatigue crack growth life contour maps, all with minimal user intervention. This paradigm has also been extended to the automatic calculation of fracture risk, considering uncertainty or variability in key input parameters such as initial crack size or location. Another new integrated approach links the engineering life analysis, the component model, and a 3D numerical fracture analysis built with the same component model to generate a table of SIF values at a specific location that can then be employed efficiently to perform the life calculation. Some attention must be given to verification and validation (V&V) issues and challenges: how good are these SIF solutions, how good is good enough, and does anyone believe the life answer? It is important to think critically about the different sources of error or uncertainty and to perform V&V in a hierarchal, building-block manner. Some accuracy issues for SIF solutions, for example, may actually involve independent material behavior issues, such as constraint loss effects for crack fronts near component surfaces, and can be a source of confusion. Recommendations are proposed for improved V&V approaches. This presentation will briefly but critically survey the range of issues and advances mentioned above, with a particular view towards assembling an integrated approach that combines different methods to create practical tools for real-world design and analysis problems. Examples will be selectively drawn from the recent literature, from recent enhancements in the NASGRO and DARWIN computer codes, and from previously unpublished research

CraigMcClung, R.↗

NASA NTRS2014

Surface Ozone Variability and Trends over the South African Highveld from 1990 to 2007

Surface ozone is a secondary air pollutant formed from reactions between nitrogen oxides (NOx = NO + NO2) and volatile organic compounds in the presence of sunlight. In this work we examine effects of the climate pattern known as the El Niño-Southern Oscillation (ENSO) and NOx variability on surface ozone from 1990 to 2007 over the South African Highveld, a heavily populated region in South Africa with numerous industrial facilities. Over summer and autumn (December-May) on the Highveld, El Niño, as signified by positive sea surface temperature (SST) anomalies over the central Pacific Ocean, is typically associated with drier and warmer than normal conditions favoring ozone formation. Conversely, La Niña, or negative SST anomalies over the central Pacific Ocean, is typically associated with cloudier and above normal rainfall conditions, hindering ozone production. We use a generalized regression model to identify any linear dependence that the Highveld ozone, measured at five air quality monitoring stations, may have on ENSO and NOx. Our results indicate that four out of the five stations exhibit a statistically significant sensitivity to ENSO at some point over the December-May period where El Niño amplifies ozone formation and La Niña reduces ozone formation. Three out of the five stations reveal statistically significant sensitivity to NOx variability, primarily in winter and spring. Accounting for ENSO and NOx effects throughout the study period of 18 years, two stations exhibit statistically significant negative ozone trends in spring, one station displays a statistically significant positive trend in August, and two stations show no statistically significant change in surface ozone.

NOx↗

NASA NTRS2018

Know Your Enemy - Implementation of Bioremediation within a Suspected DNAPL Source Zone Following High-Resolution Site Characterization at Contractors Road Heavy Equipment Area, Kennedy Space Center, Florida

The National Aeronautics and Space Administration (NASA), Kennedy Space Center (KSC), has adopted high-resolution site characterization (HRSC) sampling techniques during baseline sampling prior to implementation of remedies to confirm and refine the conceptual site model (CSM). HRSC sampling was performed at Contractors Road Heavy Equipment Area (CRHE) prior to bioremediation implementation to verify the extent of the trichloroethene (TCE) dense non-aqueous phase liquid (DNAPL) source area (defined as the area with TCE concentrations above 1% solubility) and its daughter product dissolved plume that had been identified during previous HRSC events. The results of HRSC pre-bioremediation implementation sampling suggested that the TCE source area was larger than originally identified during initial site characterization activities, leading to a design refinement to improve electron donor distribution and increase the likelihood of achieving remedial objectives. Approach/Activities: HRSC was conducted from 2009 through 2014 to delineate the vertical and horizontal extent of chlorinated volatile organic compounds (CVOCs) in the groundwater. Approximately 2,340 samples were collected from 363 locations using direct push technology (DPT) groundwater sampling techniques. Samples were collected from up to 14 depth intervals at each location using a 4-foot sampling screen. This HRSC approach identified a narrow (approx. 5 to 30 feet wide), approximately 3,000 square foot TCE DNAPL source area (maximum detected TCE concentration of 160,000 micrograms per liter [micro-g/L] at DPT sampling location DPT0225). Prior to implementation of a bioremediation interim measure, HRSC baseline sampling was conducted using DPT groundwater sampling techniques. Concentrations of TCE were an order of magnitude lower than previous reported (12,000 micro-g/L maximum at DPT sampling location DPT0225) at locations sampled adjacent to previous sampling locations. To further evaluate the variability in concentrations observed additional sampling was conducted in 2016. The results identified higher concentrations than originally detected within the previously defined source area and the presence of source zone concentrations upgradient of the previously defined source area (maximum concentration observed 570,000 micro-g/L). The HRSC baseline sampling data allowed for a revision of the bioremediation design prior to implementation. Bioremediation was implemented within the eastern portion of the source area in November and December 2016 and quarterly performance monitoring was completed in March and June 2017. Reductions in CVOC concentrations from baseline were observed at all performance monitoring wells in the treatment area, and by June 2017, an approximate 95% CVOC mass reduction was observed based on monitoring well sampling results. Results/Lessons Learned: The results of this project suggest that, due to the complexity of DNAPL source zones, HRSC during pre-implementation baseline sampling in the TCE source zone was an essential strategy for verifying the treatment area and depth prior to remedy implementation. If the upgradient source zone mass was not identified prior to bioremediation implementation, the mass would have served as a long-term source for the dissolved plume.

Chrest, Anne↗

NASA NTRS2015

Trend Estimates of AERONET-Observed and Model-Simulated AOTs Between 1993 and 2013

Recently, temporal changes in Aerosol Optical Thickness (AOT) have been investigated based on model simulations, satellite and ground-based observations. Most AOT trend studies used monthly or annual arithmetic means that discard details of the generally right-skewed AOT distributions. Potentially, such results can be biased by extreme values (including outliers). This study additionally uses percentiles (i.e., the lowest 5%, 25%, 50%, 75% and 95% of the monthly cumulative distributions fitted to Aerosol Robotic Network (AERONET)-observed and ECHAM/MESSy Atmospheric Chemistry (EMAC)-model simulated AOTs) that are less affected by outliers caused by measurement error, cloud contamination and occasional extreme aerosol events. Since the limited statistical representativeness of monthly percentiles and means can lead to bias, this study adopts the number of observations as a weighting factor, which improves the statistical robustness of trend estimates. By analyzing the aerosol composition of AERONET-observed and EMAC-simulated AOTs in selected regions of interest, we distinguish the dominant aerosol types and investigate the causes of regional AOT trends. The simulated and observed trends are generally consistent with a high correlation coefficient (R = 0.89) and small bias (slope+/-2(sigma) = 0.75 +/- 0.19). A significant decrease in EMAC-decomposed AOTs by water-soluble compounds and black carbon is found over the USA and the EU due to environmental regulation. In particular, a clear reversal in the AERONET AOT trend percentiles is found over the USA, probably related to the AOT diurnal cycle and the frequency of wildfires. In most of the selected regions of interest, EMAC-simulated trends are mainly attributed to the significant changes of the dominant aerosols; e.g., significant decrease in sea salt and water soluble compounds over Central America, increase in dust over Northern Africa and Middle East, and decrease in black carbon and organic carbon over Australia.

AERONET↗

NASA NTRS1997

The first living systems: a bioenergetic perspective

The first systems of molecules having the properties of the living state presumably self-assembled from a mixture of organic compounds available on the prebiotic Earth. To carry out the polymer synthesis characteristic of all forms of life, such systems would require one or more sources of energy to activate monomers to be incorporated into polymers. Possible sources of energy for this process include heat, light energy, chemical energy, and ionic potentials across membranes. These energy sources are explored here, with a particular focus on mechanisms by which self-assembled molecular aggregates could capture the energy and use it to form chemical bonds in polymers. Based on available evidence, a reasonable conjecture is that membranous vesicles were present on the prebiotic Earth and that systems of replicating and catalytic macromolecules could become encapsulated in the vesicles. In the laboratory, this can be modeled by encapsulated polymerases prepared as liposomes. By an appropriate choice of lipids, the permeability properties of the liposomes can be adjusted so that ionic substrates permeate at a sufficient rate to provide a source of monomers for the enzymes, with the result that nucleic acids accumulate in the vesicles. Despite this progress, there is still no clear mechanism by which the free energy of light, ion gradients, or redox potential can be coupled to polymer bond formation in a protocellular structure.

Review↗

NASA NTRS2023

Emission Factors for Crop Residue and Prescribed Fires in the Eastern US during FIREX-AQ

Agricultural and prescribed burning activities emit large amounts of trace gases and aerosols on regional to global scales. We present a compilation of emission factors (EFs) and emission ratios (ERs) from the eastern portion of the Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) campaign in 2019 in the United States, which sampled burning of crop residues and other prescribed fire fuels. FIREX-AQ provided comprehensive chemical characterization of 53 crop residue and 22 prescribed fires. Crop residues burned at different modified combustion efficiencies (MCE), with corn residue burning at higher MCE than other fuel types. Prescribed fires burned at lower MCE (<0.90) which is typical, while grasslands burned at lower MCE (0.90) than normally observed due to moist, green, growing season fuels. Most non-methane volatile organic compounds (NMVOCs) were significantly anticorrelated with MCE except for ethanol and NMVOCs that were measured with less certainty. We identified 23 species where crop residue fires differed by more than 50% from prescribed fires at the same MCE. Crop residue EFs were greater for species related to agricultural chemical use and fuel composition as well as oxygenated NMVOCs possibly due to the presence of metals such as potassium. Prescribed EFs were greater for monoterpenes (5×). FIREX-AQ crop residue average EFs generally agreed with the previous agricultural fire study in the US but had large disagreements with global compilations. FIREX-AQ observations show the importance of regionally-specific and fuel-specific EFs as first steps to reduce uncertainty in modeling the air quality impacts of fire emissions.

air quality↗

NASA NTRS1992

Occupational safety considerations with hydrazine fuels

A simple pharmacokinetic model and a specially designed dermal vapor exposure chamber which provides respiratory protection were used to determine the rate of penetration of hydrazine and 1,1-dimethylhydrazine (UDMH) vapor through the skin of rats. Parameters for the pharmacokinetic model were determined from intravenous and inhalation exposure data. The model was then used to estimate the skin permeation coefficient for hydrazine or UDMH vapor from the dermal-vapor exposure data. This analysis indicates that UDMH vapor has a relatively high permeability through skin (0.7 cm/hr), a value somewhat higher than was obtained for hydrazine by the same procedure (0.09 cm/hr). Based on these skin permeability results, a skin-only vapor exposure limit giving protection equivalent to the inhalation Threshold Limit Value (TLV) could be calculated. The current TLV's for UDMH and hydrazine are 0.5 and 0.1 ppm, respectively. The corresponding skin-only TLV equivalents, for personnel wearing respiratory protection, are 32 ppm for UDMH and 48 ppm for hydrazine. Should the proposed lowering to the TLV's for these compounds to 0.01 ppm be adopted, the equivalent skin-only TLV's would become 0.64 ppm for UDMH and 4.8 for hydrazine.

Clewell, H. J.↗