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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Is There an Arctic Ozone Hole?

Total ozone observations from the Total Ozone Mapping Spectrometer (TOMS) instruments during March 1997 revealed an extensive region of low column densities in the Arctic region centered near the north pole. Values were below 250 Dobson units for nearly a two week period during this period, and were correlated with the position of the northern lower stratospheric polar vortex. The March 1997 average total ozone column densities were more than 30% lower than the average of column densities observed during the 1979-1982 March period. Both the northern spring seasons of 1998 and 1999 have shown much higher levels of total ozone. In this presentation, we will discuss the causes of the low total ozone values in 1997 and contrast those low values with the higher 1998 and 1999 observations. The reason for my travel to the University of Valparaiso is to give this seminar and provide information to my colleagues on our work here at GSFC. The benefit to NASA is to interact with my Univ. of Valparaiso colleagues, gain their insights and input into this research, and establish collaborations with the current research efforts at the University.

Newman, Paul A.↗
NASA NTRS2000

Is There an Arctic Ozone Hole?

Total ozone observations from the Total Ozone Mapping Spectrometer (TOMS) instruments during March 1997 revealed an extensive region of low column densities in the Arctic region centered near the north pole. Values were below 250 Dobson units for nearly a two week period during this period, and were correlated with the position of the northern lower stratospheric polar vortex. The March 1997 average total ozone column densities were more than 30% lower than the average of column densities observed during the 1979-1982 March period. Both the northern spring seasons of 1998 and 1999 have shown much higher levels of total ozone. In this presentation, we will discuss the causes of the low total ozone values in 1997 and contrast those low values with the higher 1998 and 1999 observations. I will additionally discuss the just completed SOLVE campaign and the March 2000 ozone values.

Newman, Paul A.↗
NASA NTRS2004

What the Sunspot Record Tells Us About Space Climate

The records concerning the number, sizes, and positions of sunspots provide a direct means of characterizing solar activity over nearly 400 years. Sunspot numbers are strongly correlated with modem measures of solar activity including: 10.7-cm radio flux, total irradiance, x-ray flares, sunspot area, the baseline level of geomagnetic activity, and the flux of galactic cosmic rays. The Group Sunspot Number provides information on 27 sunspot cycles, far more than any of the modem measures of solar activity, and enough to provide important details about long-term variations in solar activity or Space Climate. The sunspot record shows: 1) sunspot cycles have periods of 131 plus or minus 14 months with a normal distribution; 2) sunspot cycles are asymmetric with a fast rise and slow decline; 3) the rise time from minimum to maximum decreases with cycle amplitude; 4) large amplitude cycles are preceded by short period cycles; 5 ) large amplitude cycles are preceded by high minima; 6) although the two hemispheres remain linked in phase, there are significant asymmetries in the activity in each hemisphere; 7) the rate at which the active latitudes drift toward the equator is anti-correlated with the cycle period, 8) the rate at which the active latitudes drift toward the equator is positively correlated with the amplitude of the cycle after the next; 9) there has been a significant secular increase in the amplitudes of the sunspot cycles since the end of the Maunder Minimum (1715); and 10) there is weak evidence for a quasi-periodic variation in the sunspot cycle amplitudes with a period of about 90 years. These characteristics indicate that the next solar cycle should have a maximum smoothed sunspot number of about 1.45 plus or minus 30 in 2010 while the following cycle should have a maximum of about 70 plus or minus 30 in 2023.

Hathaway, David H.↗
DOE OSTI2021

Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH4, CO2 and H2S in (H2O)20 Cages

We present benchmark binding energies of naturally occurring gas molecules CH4, CO2, and H2S in the small cage, namely the pentagonal dodecahedron (512) (H2O)20, which is one of the constituent cages of the 3 major lattices (structures I, II and H) of clathrate hydrates. These weak interactions require higher levels of electron correlation and converge slowly with increasing basis set to the Complete Basis Set (CBS) limit, necessitating the use of large basis sets up to the augcc- pV5Z and subsequent correction for Basis Set Superposition Error (BSSE). For the host hollow (H2O)20 cages we have identified a most stable isomer with binding energy of -200.8 ± 2.1 kcal/mol at the CCSD(T)/CBS limit (-199.2 ± 0.5 kcal/mol at the MP2/CBS limit). Additionally, we report converged second order Moller-Plesset (MP2) CBS binding energies for the encapsulation of guests in the (H2O)20 cage of -4.3 ± 0.1 for CH4@(H2O)20, -6.6 ± 0.1 for CO2@(H2O)20 and -8.5 ± 0.1 kcal/mol for H2S@(H2O)20, respectively. For CH4@(H2O)20, exhibiting the weakest encapsulation affinity among the three, we report CCSD(T)/aug-cc-pVTZ binding energies and, based on them, a CCSD(T)/CBS estimate of -4.75 ± 0.1 kcal/mol. To the best of our knowledge, the CCSD(T)/aug-cc-pVTZ calculation for CH4@(H2O)20 is the largest one reported to date (168 valence electrons, 1978 basis functions and the correlation of 84 doubly occupied and 1873 virtual orbitals) and required a scalable implementation of the (T) module on 6144 nodes (350208 cores) of the “Cori” supercomputer at the National Energy Research Supercomputing Center (NERSC) for a total execution time of 195 minutes (for the (T) part). These efficient scalable implementations of highly correlated methods offer the capability to obtain long-lasting benchmarks of intermolecular interactions in complex systems. They also provide a path towards parametrizing classical potentials needed to study the dynamical and transport properties in these complex systems as well as assess the accuracy of lower scaling electronic structure methods such as Density Functional Theory (DFT) and MP2 including its spin-biased variants.

Heindel, Joseph↗
NASA NTRS1983

A total life prediction model for stress concentration sites

Fatigue crack growth tests were performed on center crack panels and radial crack hole samples. The data were reduced and correlated with the elastic parameter K taking into account finite width and corner crack corrections. The anomalous behavior normally associated with short cracks was not observed. Total life estimates for notches were made by coupling an initiation life estimate with a propagation life estimate.

Hartman, G. A.↗
DOE OSTI2023

Extragalactic CO emission lines in the CMB experiments: A forgotten signal and a foreground

High resolution cosmic microwave background (CMB) experiments have allowed us to precisely measure the CMB temperature power spectrum down to very small scales (multipole ℓ ~ 3000). Such measurements at multiple frequencies enable separating the power spectrum of the primary CMB anisotropies with the power spectrum of other signals like CMB lensing, thermal and kinematic Sunyaev-Zel’dovich effects (tSZ and kSZ), and cosmic infrared background (CIB). Here, in this paper, we explore another signal of interest at these frequencies that should be present in the CMB maps: extragalactic CO molecular rotational line emissions, which are the most widely used tracers of molecular gas in the line intensity mapping experiments. Using the SIDES simulations adopted for top hat bandpasses at 150 and 220 GHz, we show that the cross-correlation of the CIB with CO lines has a contribution similar to the CIB-tSZ correlation and the kSZ power, thereby contributing a non-negligible amount to the total power at these scales. This signal, therefore, may significantly impact the recently reported ≥3σ detection of the kSZ power spectrum from the South Pole Telescope collaboration, as the contribution of the CO lines is not considered in such analyses. Our results also provide a new way of measuring the CO power spectrum in cross-correlation with the CIB. Finally, these results show that the CO emissions present in the CMB maps will have to be accounted for in all the CMB auto-power spectrum and cross-correlation studies involving a large-scale structure tracer.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Shuttle elevon cove aerodynamic heating by internal flow

The thermal response of the cove seal area of the Shuttle elevon wing junction is investigated in an arc heated supersonic duct. The temperature response of the seal area is measured for various seal gap widths, ambient pressures, and enthalpies to determine the dependence of internal heating on these parameters. A correlation of the results shows that the internal heating to the seal is proportional to the product of the external pressure, the gap width and the square root of the total enthalphy. Temperatures at the end of a simulated Shuttle entry compare well with predictions based on this correlation for the narrower gap widths where there is only a small pressure drop at the cove inlet. Similar predictions are made for Shuttle flight as a function of seal gap widths to determine the maximum gap width allowable, yet not exceed design temperatures on the structure.

Scott, C. D.↗
DOE OSTI2025

Root genetics in the field to understand drought adaptation and carbon sequestration (Final Scientific/Technical Report)

For all crop plants, roots play a critical role in growth. Roots anchor the plants, and are the primary site of nutrient and water uptake. Roots are also the main source of C to soil in the form of root tissues and exudates, and thus greatly influence SOM stocks. To perform these functions, primary roots extend into soil, producing a network of branching roots of characteristic form, known as its root system architecture (RSA). RSA varies among species, and among varieties within a species that are adapted to different environments. Root traits are major targets for the second green revolution because of their potential to improve crop productivity, increase drought tolerance and nutrient acquisition, and increase C capture of soil. Improving the quality of roots in maize will be particularly valuable, since this crop is planted on over 92 million acres annually in the US. The future sustainability of agricultural systems relies on their ability to enhance soil organic matter (SOM) storage and reduce GHG emissions, while maintaining or enhancing productivity. This program had two components, Sensors and Models. For the first component, we designed and built a high-throughput phenotyping platform for root pulling of maize plants. This eliminated the physical labor of manually pulling up plants and reduced the number of personnel required down to one. The standardized pulling mechanism allowed recording force curves during the pulling process, providing additional information. We validated that the maximum force for pulling the root system was well-correlated with the root system mass and provided root crowns for further RSA analysis. These root crowns identified significant correlations with 2D root area and root depth, along with 3D root volume, total root length and number of root tips. We then used this system for field-based studies in maize on the genetics of root system architecture and its relation to nitrogen-use efficiency (NUE), including using lines relevant to the Corteva breeding program. Varieties were also evaluated at Corteva sites in the cornbelt and Danforth farm in Missouri, to establish responses across sites. From these studies we have identified genetic loci associated with root traits and created mutant lines for these loci and correlations of root traits with NUE. For the Models component, we worked to incorporate root and soil characteristics into the MEMS 2.0 soil and ecosystem biogeochemical model. Existing soil C models, such as Century, are unable to represent specific root trait interactions with the soil environment and therefore to accurately forecast the potential C sequestration benefits of root breeding under different climatic and soil type conditions. We have developed the MEMS 2.0 ecosystem biogeochemical model to improve quantification of farm-scale soil carbon and greenhouse gas emissions. The new knowledge and large datasets produced by this project will be used to develop and drive an innovative model capable of forecasting the impacts on soil C stocks and nutrient dynamics. An innovation was to use the empirical data from the field studies (in 1, above) to model genetic variation in nitrogen use efficiencies and soil C input. Our work demonstrated that maize root-derived C rapidly replaces existing soil C and after 3 years of continuous maize, up to 20% of soil organic C in the topsoil (0-15cm) and 3% in the subsoil (15-30cm) was contributed by maize. However, this contribution did not entirely represent a net increase. Root C contribution to soil was affected by maize genetics. We have analyzed soils derived from the CSU field trials for C and N stocks, in the different soil physical fractions represented by the MEMS model, using both physical fractionation with elemental analyses, and Fourier transformed infrared spectroscopy. Data will be used to link crop nitrogen use efficiencies with soil C sequestration and provide data to bridge the field trials with the model development, for verification of model predictions. The project had a number of successful outcomes: we have used the new phenotyping platform to identify new genetic loci that can enhance root phenotypes; we have partnered with multiple maize seed companies phenotype varieties in their breeding programs; we have developed the MEMS model that can help inform industry on the potential for carbon sequestration in the agricultural sector, and which is now available at the CSU Soil Carbon Solutions Center for use.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Ab initio method for calculating total cross sections

A method for calculating total cross sections without formally including nonelastic channels is presented. The idea is to use a one channel T-matrix variational principle with a complex correlation function. The derived T matrix is therefore not unitary. Elastic scattering is calculated from T-parallel-squared, but total scattering is derived from the imaginary part of T using the optical theorem. The method is applied to the spherically symmetric model of electron-hydrogen scattering. No spurious structure arises; results for sigma(el) and sigma(total) are in excellent agreement with calculations of Callaway and Oza (1984). The method has wide potential applicability.

Bhatia, A. K.↗
NASA NTRS1987

Lower-stratospheric/upper-tropospheric exchange processes associated with tropical cyclones as observed by TOMS

Total ozone associated with western Atlantic and Pacific tropical cyclones at various stages of development were analyzed for the purpose of monitoring storm intensity and/or intensity changes. The analysis is based on total ozone measurements from the Nimbus 7 Total Ozone Mapping Spectrometer (TOMS). Since ozone may be considered a passive tracer in the lower stratosphere and the ozone gradients are strongest just above the tropopause, fluctuations of total ozone are due to variations in tropopause height and/or changes in concentration within the column caused by vertical and horizontal advection. In the subtropical northern Pacific during August and September 1981, a negative correlation greater than 0.60 was found between upper-tropospheric geopotential heights near the tropopause level and total ozone. Preliminary results suggest that TOMS can be used to resolve the upper-troposphere structure in and around tropical cyclones and can provide an indication of those processes that help to intensify and maintain these storms.

Rodgers, Edward B.↗
NASA NTRS1983

A total life prediction model for stress concentration sites

Fatigue crack growth tests were performed on center crack panels and radial crack hole samples. The data were reduced and correlated with the elastic parameter-K taking into account finite width and corner crack corrections. The anomalous behavior normally associated with short cracks was not observed. Total life estimates for notches were made by coupling an initiation life estimate with a propagation life estimate.

Hartman, G. A.↗
DOE OSTI2020

A Meta-Analysis of Stressors from the Total Environment Associated with Children’s General Cognitive Ability

General cognitive ability, often referred to as ‘general intelligence’, comprises a variety of correlated abilities. Childhood general cognitive ability is a well-studied area of research and can be used to predict social outcomes and perceived success. Early life stage (e.g., prenatal, postnatal, toddler) exposures to stressors (i.e., chemical and non-chemical stressors from the total (built, natural, social) environment) can impact the development of childhood cognitive ability. Building from our systematic scoping review (Ruiz et al., 2016), we conducted a meta-analysis to evaluate more than 100 stressors related to cognitive development. Our meta-analysis identified 23 stressors with a significant increase in their likelihood to influence childhood cognitive ability by 10% or more, and 80 stressors were observed to have a statistically significant effect on cognitive ability. Stressors most impactful to cognition during the prenatal period were related to maternal health and the mother’s ability to access information relevant to a healthy pregnancy (e.g., diet, lifestyle). Stressors most impactful to cognition during the early childhood period were dietary nutrients (infancy), quality of social interaction (toddler), and exposure to toxic substances (throughout early childhood). In conducting this analysis, we examined the relative impact of real-world exposures on cognitive development to attempt to understand the inter-relationships between exposures to both chemical and non-chemical stressors and early developmental life stages. Our findings suggest that the stressors observed to be the most influential to childhood cognitive ability are not permanent and can be broadly categorized as activities/behaviors which can be modified to improve childhood cognition. This meta-analysis supports the idea that there are complex relationships between a child’s total environment and early cognitive development.

Nilsen, Frances M. (ORCID:0000000241936951)↗
DOE OSTI2019

Mott gapping in 3 d A B O 3 perovskites without Mott-Hubbard interelectronic repulsion energy U

The existence of band gaps in Mott insulators such as perovskite oxides with partially filled 3d shells has been traditionally explained in terms of strong, dynamic interelectronic repulsion codified by the on-site repulsion energy U in the Hubbard Hamiltonian. The success of the “DFT+U approach” where an empirical on-site potential term U is added to the exchange- and correlation density functional theory (DFT) raised questions on whether U in DFT+U represents interelectronic correlation in the same way as it does in the Hubbard Hamiltonian, and if empiricism in selecting U can be avoided. Here we illustrate that ab initio DFT without any U is able to predict gapping trends and structural symmetry breaking (octahedra rotations, Jahn-Teller modes, bond disproportionation) for all 3dABO 3 perovskites from titanates to nickelates in both spin-ordered and spin-disordered paramagnetic phases. Thus, the mechanism of gap formation due to the Hubbard Hamiltonian dynamic interelectronic correlation is not a requirement in these 3d electron compounds. Here, we describe the paramagnetic phases as a supercell where individual sites can have different local environments thereby allowing DFT to develop finite moments on different sites as long as the total cell has zero moment. We use the recently developed strongly constrained appropriately normed exchange and correlation functional (SCAN) that is sanctioned by the usual single-determinant, mean-field DFT paradigm with static correlations, but has a more precise rendering of self-interaction cancelation. Our results suggest that strong dynamic electronic correlations are not playing a universal role in gapping of 3dABO 3 Mott insulators, and opens the way for future applications of DFT for studying a plethora of complexity effects that depend on the existence of gaps, such as doping, defects, and band alignment in ABO 3 oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A screening model for predicting injection well pressure buildup and plume extent in CO 2 geologic storage projects

We present a new screening model for predicting injection well pressure buildup and CO 2 plume migration for CO 2 geologic sequestration projects. The model requires only limited information and is quite accurate when compared to detailed simulation results. Such models can assist project developers during the early days of project planning (e.g., for 45Q related projects), and also help regulators perform simple checks against detailed numerical models. The screening model consists of two correlations: one for injectivity index in terms of the slope of the CO 2 fractional flow curve, and the second for total storage efficiency within the footprint of plume as a function of gravity number and slope of the CO 2 fractional flow curve. Using these two correlations, as well as a knowledge of some basic reservoir characteristics and estimates of fluid properties from standard correlations, the injection-well pressure buildup and CO 2 plume extent in the formation can be readily estimated. Finally, the new correlations show a good match with the results of the underlying simulations, and also provide good agreement with independent calculations for two example problems.

42 ENGINEERING↗
NASA NTRS1984

Determination of monthly mean humidity in the atmospheric surface layer over oceans from satellite data

A simple statistical technique is described to determine monthly mean marine surface-layer humidity, which is essential in the specification of surface latent heat flux, from total water vapor in the atmospheric column measured by space-borne sensors. Good correlation between the two quantities was found in examining the humidity soundings from radiosonde reports of mid-ocean island stations and weather ships. The relation agrees with that obtained from satellite (Seasat) data and ship reports averaged over 2 deg areas and a 92-day period in the North Atlantic and in the tropical Pacific. The results demonstrate that, by using a local regression in the tropical Pacific, total water vapor can be used to determine monthly mean surface layer humidity to an accuracy of 0.4 g/kg. With a global regression, determination to an accuracy of 0.8 g/kg is possible. These accuracies correspond to approximately 10 to 20 W/sq m in the determination of latent heat flux with the bulk parameterization method, provided that other required parameters are known.

Liu, W. T.↗
NASA NTRS2022

A Multi-omics Longitudinal Study of the Murine Retinal Response to Chronic Low-dose Irradiation and Simulated Microgravity

The space environment includes unique hazards like radiation and microgravity which can adversely affect biological systems. We assessed a multi-omics NASA GeneLab dataset where mice were hindlimb unloaded and/or gamma irradiated for 21 days followed by retinal analysis at 7 days, 1 month or 4 months post-exposure. We compared time-matched epigenomic and transcriptomic retinal profiles resulting in a total of 4,178 differentially methylated loci or regions, and 457 differentially expressed genes. Highest correlation in methylation difference was seen across different conditions at the same time point. Nucleotide metabolism biological processes were enriched in all groups with activation at 1 month and suppression at 7 days and 4 months. Genes and processes related to Notch and Wnt signaling showed alterations 4 months post-exposure. A total of 23 genes showed significant changes in methylation and expression compared to unexposed controls, including genes involved in retinal function and inflammatory response. This multi-omics analysis interrogates the epigenomic and transcriptomic impacts of radiation and hindlimb unloading on the retina in isolation and in combination and highlights important molecular mechanisms at different post-exposure stages.

Prachi Kothiyal↗
DOE OSTI2022

Insights into Controls of Mineralogy and Pore Structure on the Density of Methane Adsorption Phase in Shales under Supercritical Conditions

With gradually increasing enhancing population and industrialization, exploitation of shale gas is enhancing in the world to satisfy the growing demand for energy worldwide. To exploit shale gas efficiently, accurate assessment of shale gas in place (GIP) is necessary for determining production strategies. Unlike free and dissolved gas, adsorbed gas contributes to the shale GIP up to 85% due to the well-developed surface area and micropores. Measured excess adsorption of methane (up to over 95% of subsurface shale gas) is often corrected to absolute adsorption to obtain the actual amount of adsorption under supercritical (or geological) conditions. During the correction, adsorption phase density (APD) is critical. However, the APD of subsurface shale gas and the effects of shale properties (e.g., mineralogy and pore structure) on APD remain poorly understood. A series of high-pressure methane adsorption isotherms (HPMAI) on Caney Shales were collected and analyzed in conjunction with other United States and Chinese shales from the literature at 35–125 °C and up to 15 MPa. Here, a three-layer Ono–Kondo (OK3) model is utilized to derive the temperature- and pressure-dependent APD coupling low-pressure nitrogen adsorption isotherms (LPNAI) and HPMAI. X-ray diffraction and organic geochemistry are combined to reveal the mineralogy. Brunauer–Emmett–Teller, Barrett–Joyner–Halenda, and Horvath–Kawazoe analyses via LPNAI are used to investigate the pore structures. Results show that APD increases with organic matter (OM) proxied by total organic carbon and decreases with clay minerals and the sum of quartz and feldspar. OM dramatically contributes to the APD as multiple-layer adsorption exists, and the APD for OM could be 1.4–8.5 times that for clay minerals. Other inorganic minerals contribute less to APD. The properties and constitution of the surface area instead of the volume fraction contribute to the APD in shales. APD does not show an obvious correlation with micropore volume, likely related to the ratio of micropore volume to the total pore volume. Here, we provide a significant and comprehensive study of petrological factors that impact the APD of subsurface shale gas, which will improve the estimation of supercritical adsorption and shale GIP under reservoir conditions. Also, the findings in this work can provide applications for subsurface carbon dioxide adsorption and storage.

58 GEOSCIENCES↗
NASA NTRS1978

Effect of wall temperature on a supersonic turbulent boundary layer

Measurement of mean flow profiles in a fully developed Mach 3 turbulent boundary layer with negligible pressure gradient is reported. Data were acquired at several streamwise locations for wall-to-total temperature ratios of 0.94, 0.71, and 0.54. The results demonstrate that the velocity defect formulation of the law-of-the-wake, which successfully correlates compressible, adiabatic boundary layers, is also valid for nonadiabatic flows. It is also shown that for adiabatic walls, the linear Crocco relation between total temperature and velocity does not provide a valid test of the nature of the boundary-layer flow for practical cases where the Prandtl number departs from unity. Finally, the turbulent shear stress, mixing length, and eddy viscosity were extracted from the 'time-averaged' conservation equations using the measured mean flow profiles and found to be insensitive to wall temperature. In particular, the latter properties are in good agreement with earlier compressible, adiabatic correlations of turbulent transport properties.

Laderman, A. J.↗