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NASA NTRS2009

The Urban Environmental Monitoring/100 Cities Project: Legacy of the First Phase and Next Steps

The Urban Environmental Monitoring (UEM) project, now known as the 100 Cities Project, at Arizona State University (ASU) is a baseline effort to collect and analyze remotely sensed data for 100 urban centers worldwide. Our overarching goal is to use remote sensing technology to better understand the consequences of rapid urbanization through advanced biophysical measurements, classification methods, and modeling, which can then be used to inform public policy and planning. Urbanization represents one of the most significant alterations that humankind has made to the surface of the earth. In the early 20th century, there were less than 20 cities in the world with populations exceeding 1 million; today, there are more than 400. The consequences of urbanization include the transformation of land surfaces from undisturbed natural environments to land that supports different forms of human activity, including agriculture, residential, commercial, industrial, and infrastructure such as roads and other types of transportation. Each of these land transformations has impacted, to varying degrees, the local climatology, hydrology, geology, and biota that predate human settlement. It is essential that we document, to the best of our ability, the nature of land transformations and the consequences to the existing environment. The focus in the UEM project since its inception has been on rapid urbanization. Rapid urbanization is occurring in hundreds of cities worldwide as population increases and people migrate from rural communities to urban centers in search of employment and a better quality of life. The unintended consequences of rapid urbanization have the potential to cause serious harm to the environment, to human life, and to the resulting built environment because rapid development constrains and rushes decision making. Such rapid decision making can result in poor planning, ineffective policies, and decisions that harm the environment and the quality of human life. Slower, more thought-out, decision making could result in more favorable outcomes. The harm to the environment includes poor air quality, soil erosion, polluted rivers and aquifers, and loss of wildlife habitat. Human life is then threatened because of increased potential for disease spreading, human conflict, environmental hazards, and diminished quality of life. The built environment is potentially threatened when cities are built in areas that can be impacted by events such as hurricanes, tsunamis, earthquakes, fires, and landslides. Our goals include assessing the threat of such events on cities and the people living there.

Stefanov, William L.↗

DOE OSTI2024

Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility

Given the significance of selenium (Se) as a micronutrient, the radioactive nature of some of its isotopes, and its affinity to iron (Fe) minerals, extensive research has been conducted on the sorption mechanisms between Se and these minerals. Here, in this study, we employ sorption data sourced from the L-SCIE database and coprecipitation data from available literature to achieve the following objectives: i) establish coherence between adsorption and coprecipitation processes, ii) quantitatively evaluate the importance of these processes in nuclear waste repository science, and iii) propose a forward-looking approach for integrating coprecipitation into reactive transport models. Our findings indicate that a correlation between Se adsorption and coprecipitation can be established using the λ formalism. The comparable log(λ Se(IV) /λ Se(VI) ) ratios derived from adsorption and coprecipitation experiments suggest that these processes can be quantitatively compared and evaluated using our numerical approach. Across all iron oxide phases examined, coprecipitation leads to significantly greater immobilization of Se compared to adsorption. Specifically, for hydrous ferric oxide, hematite, and goethite, coprecipitation is predicted to result in 100–1000 times more Se immobilization compared to adsorption, irrespective of the Se oxidation state (Se(IV) or Se(VI)); notably stronger immobilization potential via coprecipitation was observed for magnetite. The modeling approach and quantitative analysis presented herein clearly highlight the importance of including coprecipitation processes when simulating Se (and other elements) transport, particularly under conditions where mineral compositions are transient or evolving with time. Neglecting coprecipitation in models is likely to lead to significant overestimates of migration.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1997

Global Oceanic Precipitation: A Joint View by TOPEX and the TOPEX Microwave Radiometer

The TOPEX/POSEIDON mission offers the first opportunity to observe rain cells over the ocean by a dual-frequency radar altimeter (TOPEX) and simultaneously observe their natural radiative properties by a three-frequency radiometer (TOPEX microwave radiometer (TMR)). This work is a feasibility study aimed at understanding the capability and potential of the active/passive TOPEX/TMR system for oceanic rainfall detection. On the basis of past experiences in rain flagging, a joint TOPEX/TMR rain probability index is proposed. This index integrates several advantages of the two sensors and provides a more reliable rain estimate than the radiometer alone. One year's TOPEX/TMR data are used to test the performance of the index. The resulting rain frequency statistics show quantitative agreement with those obtained from the Comprehensive Ocean-Atmosphere Data Set (COADS) in the Intertropical Convergence Zone (ITCZ), while qualitative agreement is found for other regions of the world ocean. A recent finding that the latitudinal frequency of precipitation over the Southern Ocean increases steadily toward the Antarctic continent is confirmed by our result. Annual and seasonal precipitation maps are derived from the index. Notable features revealed include an overall similarity in rainfall pattern from the Pacific, the Atlantic, and the Indian Oceans and a general phase reversal between the two hemispheres, as well as a number of regional anomalies in terms of rain intensity. Comparisons with simultaneous Global Precipitation Climatology Project (GPCP) multisatellite precipitation rate and COADS rain climatology suggest that systematic differences also exist. One example is that the maximum rainfall in the ITCZ of the Indian Ocean appears to be more intensive and concentrated in our result compared to that of the GPCP. Another example is that the annual precipitation produced by TOPEX/TMR is constantly higher than those from GPCP and COADS in the extratropical regions of the northern hemisphere, especially in the northwest Pacific Ocean. Analyses of the seasonal variations of prominent rainy and dry zones in the tropics and subtropics show various behaviors such as systematic migration, expansion and contraction, merging and breakup, and pure intensity variations. The seasonality of regional features is largely influenced by local atmospheric events such as monsoon, storm, or snow activities. The results of this study suggest that TOPEX and its follow-on may serve as a complementary sensor to the special sensor microwave/imager in observing global oceanic precipitation.

Chen, Ge↗

NASA NTRS1992

Venus tectonic styles and crustal differentiation

Two of the most important constraints are known from Pioneer Venus data: the lack of a system of spreading rises, indicating distributed deformation rather than plate tectonics; and the high gravity/topography ratio, indicating the absence of an asthenosphere. In addition, the high depth/diameter ratios of craters on Venus indicate that Venus probably has no more crust than Earth. The problems of the character of tectonics and crustal formation and recycling are closely coupled. Venus appears to lack a recycling mechanism as effective as subduction, but may also have a low rate of crustal differentiation because of a mantle convection pattern that is more distributed, less concentrated, than Earth's. Distributed convection, coupled with the nonlinear dependence of volcanism on heat flow, would lead to much less magmatism, despite only moderately less heat flow, compared to Earth. The plausible reason for this difference in convective style is the absence of water in the upper mantle of Venus. We have applied finite element modeling to problems of the interaction of mantle convection and crust on Venus. The main emphasis has been on the tectonic evolution of Ishtar Terra, as the consequence of convergent mantle flow. The early stage evolution is primarily mechanical, with crust being piled up on the down-stream side. Then the downflow migrates away from the center. In the later stages, after more than 100 m.y., thermal effects develop due to the insulating influence of the thickened crust. An important feature of this modeling is the entrainment of some crustal material in downflows. An important general theme in both convergent and divergent flows is that of mixing vs. stratification. Models of multicomponent solid-state flow obtain that lower-density crustal material can be entrained and recycled, provided that the ration of low-density to high-density material is small enough (as in subducted slabs on Earth). The same considerations should apply in upflows; a small percent of partial melt may be carried along with its matrix and never escape to the surface. Models that assume melt automatically rising to the crust and no entrainment or other mechanism of recycling lower-density material obtain oscillatory behavior, because it takes a long time for heat to build up enough to overcome a Mg-rich low-density residuum. However, these models develop much thicker crust than consistent with estimates from crater depth/diameter ratios.

Kaula, W. M.↗

NASA NTRS2003

Towards the Structure Determination of a Modulated Protein Crystal: The Semicrystalline State of Profilin:Actin

One of the remaining challenges to structural biology is the solution of modulated structures. While small molecule crystallographers have championed this type of structure, to date, no modulated macromolecular structures have been determined. Modulation of the molecular structures within the crystal can produce satellite reflections or a superlattice of reflections in reciprocal space. We have developed the data collection methods and strategies that are needed to collect and analyze these data. If the macromolecule's crystal lattice is composed of physiologically relevant packing contacts, structural changes induced under physiological conditions can cause distortion relevant to the function and biophysical processes of the molecule making up the crystal. By careful measurement of the distortion, and the corresponding three-dimensional structure of the distorted molecule, we will visualize the motion and mechanism of the biological macromolecule(s). We have measured the modulated diffraction pattern produced by the semicrystalline state of profilin:actin crystals using highly parallel and highly monochromatic synchrotron radiation coupled with fine phi slicing (0.001-0.010 degrees) for structure determination. These crystals present these crystals present a unique opportunity to address an important question in structural biology. The modulation is believed to be due to the formation of actin helical filaments from the actin beta ribbon upon the pH-induced dissociation of profilin. To date, the filamentous state of actin has resisted crystallization and no detailed structures are available. The semicrystalline state profilin:actin crystals provides a unique opportunity to understand the many conformational states of actin. This knowledge is essential for understanding the dynamics underlying shape changes and motility of eukaryotic cells. Many essential processes, such as cytokinesis, phagocytosis, and cellular migration depend upon the capacity of the actin microfilament system to be restructured in a controlled manner via polymerization, depolymerization, severing, cross-linking, and anchorage. The structure the semicrystalline state of profilin:actin will challenge and validate current models of muscle contraction and cell motility. The methodology and theory under development will be easily extendable to other systems.

Borgstahl, G.↗

NASA NTRS2024

A Decade of Salt Marsh Elevation Change in New York City’s Coastal Urban Parks

Coastal salt marshes of the eastern United States are particularly vulnerable to accelerated sea level rise, and urban marshes are at greater risk of erosion, inundation, and conversion to mudflat if left unmanaged. To guide New York City (NYC) salt marsh restoration strategies, NYC Parks collected up to 10 years of salt marsh elevation change data through 2020 at six salt marsh sites using the Surface Elevation Table-Marker Horizon (SET-MH) method, conducted a salt marsh trends analysis to determine shoreline change from 1974 to 2012, and conducted a salt marsh conditions assessment. We found that the citywide average surface elevation trend of 3.31 mm yr −1 was not significantly different from the 30-year (1990–2020) Relative Sea Level Rise of 4.23 mm yr −1 at The Battery, NY, tide station, probably due to high variability across and within sites. We also found that accretion rates differed across sites and watersheds, and sites situated lower in the tidal zone had higher accretion rates. Notably, Jamaica Bay’s Idlewild salt marsh, long suspected of being sediment-starved and ranking lowest in our conditions assessment, had the highest accretion rate at 9.5 mm yr −1 . Our salt marsh trends analysis also showed marsh loss at the shoreline edge, bare ground cover, and other indicators of marsh degradation. In mitigating marsh loss, the design grades for our recent wetland restoration projects enlarge the upper elevation ranges of the low- and high-marsh zones and incorporate wider and more gradual slopes in upland transition zones to enable inland marsh migration.

Salt marsh elevation change↗

NASA NTRS2012

Ozone-Temperature Diurnal and Longer Term Correlations, in the Lower Thermosphere, Mesosphere and Stratosphere, Based on Measurements from SABER on TIMED

The analysis of mutual ozone-temperature variations can provide useful information on their interdependencies relative to the photochemistry and dynamics governing their behavior. Previous studies have mostly been based on satellite measurements taken at a fixed local time in the stratosphere and lower mesosphere. For these data, it is shown that the zonal mean ozone amounts and temperatures in the lower stratosphere are mostly positively correlated, while they are mostly negatively correlated in the upper stratosphere and in the lower mesosphere. The negative correlation, due to the dependence of photochemical reaction rates on temperature, indicates that ozone photochemistry is more important than dynamics in determining the ozone amounts. In this study, we provide new results by extending the analysis to include diurnal variations over 24 hrs of local time, and to larger spatial regimes, to include the upper mesosphere and lower thermosphere (MLT). The results are based on measurements by the SABER instrument on the TIMED satellite. For mean variations (i.e., averages over local time and longitude) in the MLT, our results show that there is a sharp reversal in the correlation near 80 km altitude, above which the ozone mixing ratio and temperature are mostly positively correlated, while they are mostly negatively correlated below 80 km. This is consistent with the view that above -80 km, effects due to dynamics are more important compared to photochemistry. For diurnal variations, both the ozone and temperature show phase progressions in local time, as a function of altitude and latitude. For temperature, the phase progression is as expected, as they represent migrating tides. For day time ozone, we also find regular phase progression in local time over the whole altitude range of our analysis, 25 to 105 km, at least for low latitudes. This was not previously known, although phase progressions had been noted by us and by others at lower altitudes. For diurnal variations, we find that between about 40 and 65 km, the ozone amounts and temperatures are mostly negatively correlated or neutral, while below approx. 40 km they are mostly positively correlated or neutral. The correlations are less systematic and less robust than for correlations of the mean. At altitudes above approx.65 km, the correlations are more complex, and depend on the tidal temperature variations. For the diurnal case, consideration needs to be given to transport by thermal tides and to the efficacy of response times of ozone concentrations and temperature to each other.

Huang, Frank T.↗

DOE OSTI2024

HERO CarbonSAFE Phase 2 Project in the Columbia River Basalt Group

The Hermiston, Oregon Basalt CarbonSAFE Phase II project (HERO CarbonSAFE) seeks to accelerate the deployment of commercial carbon dioxide (CO2) storage projects in basaltic rocks. Basalt CO2 storage has several advantages to conventional saline storage reservoirs including 1. The potential for rapid mineralization of CO2, 2. Associated decreases in pressure and CO2 migration risks, 3. Reduced long-term monitoring requirements with respect to plume tracking, 4. Widespread geographic distribution and, 5. Large storage potential due to thickness, porosity, and CO2 interactions with basalt. And for locations such as the Pacific Northwest, Hawaii, Iceland, India and Japan, basalts may offer the only economically feasible option for local CO2 storage. However, there are limited field-scale assessments of CO2 storage in basalt, and current carbon capture utilization and storage (CCUS) permitting and regulatory frameworks were developed for conventional saline reservoirs. HERO CarbonSAFE is designed to address research gaps and uncertainties associated with basalt storage. Specifically, the project will assess the feasibility of CO2 injection in the deep layered basalts, long-term storage (mineralization), practical approaches for large-scale implementation (50+ million metric tons of CO2 over 30 years), lithology-specific risks, and the technoeconomic potential for CO2 storage in basalts. The HERO CarbonSAFE project will assess feasibility of developing a commercial-scale (50+ million metric tons of CO2) geological storage complex within the Columbia River Basalt Group (CRBG), a layered continental flood basalt complex that underlies Calpine’s natural gas-fired Hermiston Power Project (HPP) in Hermiston, OR (Figure 1). Under this 2-year CarbonSAFE Phase II project, the HERO team will conduct a data acquisition campaign that includes drilling a stratigraphic well to a total depth of ~1,500 m into the thick layered basalts proximal to HPP. A comprehensive well logging and hydrologic testing program will be augmented with new core collected from flow zones and sealing units, and comprehensive laboratory testing to help refine the kinetic rates of mineralization. The newly acquired information will be integrated with existing data from regional wells to correlate basalt injection zone properties to develop storage hub/commercial-scale models. Using these models, the project team will evaluate injection scenarios to define the technical and economic potential for storing a minimum of 50 million metric tons of CO2 over a 30-year period, along with a robust sensitivity analysis on key parameters governing reservoir viability for sustainable injection over a commercial project lifetime. Specific technical objectives of HERO are: (1) assessing the reservoir response of a series of stacked layered reservoir flowtop sequences occurring in this area of the CRBG to commercial-scale injection volumes; (2) extending prior efforts by the project team to characterize the deep layered basalts encountered in regional studies, to leverage prior investments by U.S. Department of Energy’s (DOE) Carbon Storage program; (3) leveraging DOE’s mineralization characterization efforts to advance model parametrization for commercial scale injection of CO2 in basalts; (4) conducting risk assessments associated with scaling up to commercial storage hub injection goals, while validating DOE’s National Risk Assessment Partnership (NRAP) tools, to identify potential constraints that would prevent the CRBG from serving as a commercial-scale storage complex; (5) developing mitigation plans to address identified risks; (6) developing a commercial-scale injection and monitoring, verification and accounting (MVA) strategy; (7) utilizing computational models to define and minimize, if possible, the Area of Review (AoR) under Class VI regulations; and (8) developing a robust CO2 management strategy for CRBG that also considers a regional source/sink approach that is responsive to stakeholder needs and industrial demand. Specific institutional objectives are: (1) identifying and developing plans to mitigate the nontechnical challenges associated with the build-out of a commercial-scale storage complex within the CRBG with integrated CO2 sources; (2) implementing the community outreach plan; (3) conducting regulatory research, including a survey of issues related to pore space ownership, MVA and long-term assurance of mineralization-based storage, to support an eventual application for a UIC Class VI permit; (4) advancing the project’s plan for CO2 liability management; and (5) continuing to refine and update the project’s economic model. The final objective is the preparation of a comprehensive Site Characterization Plan that draws upon the technical and institutional feasibility assessments to prepare the project for future commercialization efforts.

58 GEOSCIENCES↗

NASA NTRS2004

Environmental impacts on the developing CNS: CD15, NCAM-L1, and GFAP expression in rat neonates exposed to hypergravity

We have previously reported that the developing rat cerebellum is affected by hypergravity exposure. The effect is observed during a period of both granule and glial cell proliferation and neuronal migration in the cerebellum and coincides with changes in thyroid hormone levels. The present study begins to address the molecular mechanisms involved in the cerebellar response to hypergravity. Specifically, the study focuses on the expression of cerebellar proteins that are known to be directly involved in cell-cell interactions [protein expressing 3-fucosyl-N-acetyl-lactosamine antigen (CD15), neuronal cell adhesion molecule (NCAM-L1)] and those that affect cell-cell interactions indirectly [glial fibrillary acidic protein (GFAP)] in rat neonates exposed to centrifuge-produced hypergravity. Cerebellar mass and protein expression in rat neonates exposed to hypergravity (1.5 G) from gestational day (G) 11 to postnatal day (P) 30 were compared at one of six time points between P6 and P30 against rat neonates developing under normal gravity. Proteins were analyzed by quantitative western blots of cerebellar homogenates prepared from male or female neonates. Cerebellar size was most clearly reduced in male neonates on P6 and in female neonates on P9, with a significant gender difference; differences in cerebellar mass remained significant even when change in total body mass was factored in. Densitometric analysis of western blots revealed both quantitative and temporal changes in the expression of selected cerebellar proteins that coincided with changes in cerebellar mass and were gender-specific. In fact, our data indicated certain significant differences even between male and female control animals. A maximal decrease in expression of CD15 was observed in HG females on P9, coinciding with maximal change in their cerebellar mass. A shift in the time-course of NCAM-L1 expression resulted in a significant increase in NCAM-L1 in HG males on P18, an isolated time at which cerebellar mass does not significantly differ between HG and SC neonates. A maximal decrease in expression of GFAP was observed in HG males on P6, coinciding with maximal change in their cerebellar mass. Altered expression of cerebellar proteins is likely to affect a number of developmental processes and contribute to the structural and functional alterations seen in the CNS developing under altered gravity. Our data suggest that both cerebellar development and its response to gravitational manipulations differ in males and females. c2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

NASA Program Fundamental Space Biology↗

NASA NTRS2021

K2-138 g: Spitzer Spots a Sixth Planet for the Citizen Science System

K2 greatly extended Kepler's ability to find new planets, but it was typically limited to identifying transiting planets with orbital periods below 40 days. While analyzing K2 data through the Exoplanet Explorers project, citizen scientists helped discover one super-Earth and four sub-Neptune sized planets in the relatively bright (V = 12.21, K = 10.3) K2-138 system, all which orbit near 3:2 mean-motion resonances. The K2 light curve showed two additional transit events consistent with a sixth planet. Using Spitzer photometry, we validate the sixth planet's orbital period of 41.966 ± 0.006 days and measure a radius of 3.44 (+0.32,-.031)Rꚛ, solidifying K2-138 as the K2 system with the most currently known planets. There is a sizeable gap between the outer two planets, since the fifth planet in the system, K2-138 f, orbits at 12.76 days. We explore the possibility of additional nontransiting planets in the gap between f and g. Due to the relative brightness of the K2-138 host star, and the near resonance of the inner planets, K2-138 could be a key benchmark system for both radial velocity and transit-timing variation mass measurements, and indeed radial velocity masses for the inner four planets have already been obtained. With its five sub-Neptunes and one super-Earth, the K2-138 system provides a unique test bed for comparative atmospheric studies of warm to temperate planets of similar size, dynamical studies of near-resonant planets, and models of planet formation and migration.

Kevin K. Hardegree-Ullman↗

DOE OSTI2024

Fourier-MIONet: Fourier-enhanced multiple-input neural operators for multiphase modeling of geological carbon sequestration

Geologic carbon sequestration (GCS) is a safety-critical technology that aims to reduce the amount of carbon dioxide in the atmosphere, which also places high demands on reliability. Multiphase flow in porous media is essential to understand CO 2 migration and pressure fields in the subsurface associated with GCS. However, numerical simulation for such problems in 4D is computationally challenging and expensive, due to the multiphysics and multiscale nature of the highly nonlinear governing partial differential equations (PDEs). It prevents us from considering multiple subsurface scenarios and conducting real-time optimization. Here, we develop a Fourier-enhanced multiple-input neural operator (Fourier-MIONet) to learn the solution operator of the problem of multiphase flow in porous media. Fourier-MIONet utilizes the recently developed framework of the multiple-input deep neural operators (MIONet) and incorporates the Fourier neural operator (FNO) in the network architecture. Once Fourier-MIONet is trained, it can predict the evolution of saturation and pressure of the multiphase flow under various reservoir conditions, such as permeability and porosity heterogeneity, anisotropy, injection configurations, and multiphase flow properties. Compared to the enhanced FNO (U-FNO), the proposed Fourier-MIONet has 90% fewer unknown parameters, and it can be trained in significantly less time (about 3.5 times faster) with much lower CPU memory (<15%) and GPU memory (<35%) requirements, to achieve similar prediction accuracy. In addition to the lower computational cost, Fourier-MIONet can be trained with only 6 snapshots of time to predict the PDE solutions for 30 years. Furthermore, we observed that Fourier-MIONet can maintain good accuracy when predicting out-of-distribution (OOD) data. The excellent generalizability of Fourier-MIONet is enabled by its adherence to the physical principle that the solution to a PDE is continuous over time. Furthermore, the developed Fourier-MIONet makes it possible to solve the long-time evolution of geological carbon sequestration in a large-scale three-dimensional space accurately and efficiently.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2001

Development of a Space Radiation Monte-Carlo Computer Simulation Based on the FLUKE and Root Codes

The radiation environment in space is a complex problem to model. Trying to extrapolate the projections of that environment into all areas of the internal spacecraft geometry is even more daunting. With the support of our CERN colleagues, our research group in Houston is embarking on a project to develop a radiation transport tool that is tailored to the problem of taking the external radiation flux incident on any particular spacecraft and simulating the evolution of that flux through a geometrically accurate model of the spacecraft material. The output will be a prediction of the detailed nature of the resulting internal radiation environment within the spacecraft as well as its secondary albedo. Beyond doing the physics transport of the incident flux, the software tool we are developing will provide a self-contained stand-alone object-oriented analysis and visualization infrastructure. It will also include a graphical user interface and a set of input tools to facilitate the simulation of space missions in terms of nominal radiation models and mission trajectory profiles. The goal of this project is to produce a code that is considerably more accurate and user-friendly than existing Monte-Carlo-based tools for the evaluation of the space radiation environment. Furthermore, the code will be an essential complement to the currently existing analytic codes in the BRYNTRN/HZETRN family for the evaluation of radiation shielding. The code will be directly applicable to the simulation of environments in low earth orbit, on the lunar surface, on planetary surfaces (including the Earth) and in the interplanetary medium such as on a transit to Mars (and even in the interstellar medium). The software will include modules whose underlying physics base can continue to be enhanced and updated for physics content, as future data become available beyond the timeframe of the initial development now foreseen. This future maintenance will be available from the authors of FLUKA as part of their continuing efforts to support the users of the FLUKA code within the particle physics community. In keeping with the spirit of developing an evolving physics code, we are planning as part of this project, to participate in the efforts to validate the core FLUKA physics in ground-based accelerator test runs. The emphasis of these test runs will be the physics of greatest interest in the simulation of the space radiation environment. Such a tool will be of great value to planners, designers and operators of future space missions, as well as for the design of the vehicles and habitats to be used on such missions. It will also be of aid to future experiments of various kinds that may be affected at some level by the ambient radiation environment, or in the analysis of hybrid experiment designs that have been discussed for space-based astronomy and astrophysics. The tool will be of value to the Life Sciences personnel involved in the prediction and measurement of radiation doses experienced by the crewmembers on such missions. In addition, the tool will be of great use to the planners of experiments to measure and evaluate the space radiation environment itself. It can likewise be useful in the analysis of safe havens, hazard migration plans, and NASA's call for new research in composites and to NASA engineers modeling the radiation exposure of electronic circuits. This code will provide an important complimentary check on the predictions of analytic codes such as BRYNTRN/HZETRN that are presently used for many similar applications, and which have shortcomings that are more easily overcome with Monte Carlo type simulations. Finally, it is acknowledged that there are similar efforts based around the use of the GEANT4 Monte-Carlo transport code currently under development at CERN. It is our intention to make our software modular and sufficiently flexible to allow the parallel use of either FLUKA or GEANT4 as the physics transport engine.

Pinsky, L. S.↗

NASA NTRS2002

Distinguishing Indigenous from Contaminating Microorganisms in Rock Samples from a Deep Au Mine in South Africa

The concentration and distribution of microbial biomass within deep subsurface rock strata is not well known To date, most analyses are from water samples and a few cores. Hand samples, block samples and cores from an actively mined Carbon Leader ore zone at 3.2 kilometers depth were collected for microbial analyses. The Carbon Leader was comprised of quartz, S-bearing aromatic hydrocarbons, Fe(III) oxyhydroxides, sulfides, uraninite, Au and minor amounts of sulfate. The porosity of the ore was 1% and the maximum pore throat diameter was less than 0.1 microns; whereas, the porosity of the adjacent quartzite was .02 to .9% with a maximum pore throat diameter of 0.9 microns. Rhodamine dye, fluorescent microspheres, microbial enrichments, autoradiography, phospholipid fatty acid (PLEA) and 16S rDNA analyses were performed on these rock samples and the mining water. The date indicate that the levels of solute contamination less than 0.01% for pared rock samples. Despite this low level of contamination, PLEA, microbial enrichment, DNA and tracer analyses and calculations indicate that most of the viable microorganisms in the Carbon Leader represent gram negative aerobic heterotrophs and ammonia oxidizers that are phylogenetically identical or closely related to service water microorganisms. These microbial contaminants probably infiltrated the low permeability rock through mining-induced microfractures. Geochemical data also detected drilling water in a fault zone approx. 1 meter behind the rock face encountered during coring. The mining induced macrofractures that are common at these great depths act as pathways for the drilling water borne microorganisms into the lower temperature zone that extends several meters into rock strata from the rock face. Combined PLEA and T- RFLP analyses of the service water and Carbon Leader samples indicate that the concentration of indigenous microorganisms was less than 10(exp 2) cells/gram. Such a low concentrations result from the submicron pore throat diameters. PLFA. SO4-35 autoradiography and tracer analyses indicate that the bounding quartzite contains thermophilic sulfate reducing bacteria at 10(exp 3) cells/gram that are not attributable to drilling water contamination. The microorganisms may be surviving on sulfate generated by oxidation of sulfide by radiolytic reactions resulting from the high U concentration in the ore zone. The presence of up to 8,000 ppm of Fe(III) oxyhydroxides in the host rock will also act to recycle sulfide generated by the sulfate reducing bacteria into sulfate. The activity of these sulfate-reducing bacteria may be enhanced by mining induced fracturing which can propagate up to 40 meters into virgin rock where the temperatures are ca. 50 C, and decrepitate of sulfate rich fluid inclusions. In ultra deep mines, judicious application of tracers and multiple microbial characterization techniques can distinguish microbial contamination caused by the near field fracturing and drilling water migration from the indigenous microbial communities in rock strata. The importance of far field fracturing on indigenous microbial communities, however, remains unknown.

Onstott, T. C.↗

NASA NTRS2005

Materials Control for Aerospace Applications

The distant future of mankind and the ultimate survivability of the human race, as it is known today, will depend on mans' ability to break earthly bonds and establish new territorial positions throughout the universe. Man must therefore be positioned to not only travel to, but also, to readily adapt to numerous and varying environments. For this mass migration across the galaxies nothing is as import to the human race as is NASA's future missions into Low Earth Orbit (LEO), to the moon, and/or Mars. These missions will form the building blocks to eternity for mankind. From these missions, NASA will develop the foundations for these building blocks based on sound engineering and scientific principles, both known and yet to be discovered. The integrity of the program will lead to development, tracking and control of the most basic elements of hardware production: That being development and control of applications of space flight materials. Choosing the right material for design purposes involves many considerations, such as governmental regulations associated with manufacturing operations, both safety of usage and of manufacturing, general material usage requirements, material longevity and performance requirements, material interfacing compatibility and material usage environments. Material performance is subject to environmental considerations in as much as a given material may perform exceptionally well at standard temperatures and pressures while performing poorly under non-standard conditions. These concerns may be found true for materials relative to the extreme temperatures and vacuum gradients of high altitude usage. The only way to assure that flight worthy materials are used in design is through testing. However, as with all testing, it requires both time on schedule and cost to the operation. One alternative to this high cost testing approach is to rely on a materials control system established by NASA. The NASA community relies on the MAPTIS materials control system founded at MSFC and supported by the other NASA Centers. This system is a data bank of all materials used in space flight operations. These materials are rated for several characteristics that are common concerns in high altitude or deep space usage: Odor, off gassing, material fluid compatibility, toxicity, corrosion susceptibility, stress corrosion susceptibility, etc.

Ferguson, Michael↗

DOE OSTI2026

Modeling supercritical CO 2 flow and mineralization in reactive host rocks with PFLOTRAN v7.0

Understanding the flow and reactivity of CO 2 injected into geological reservoirs is important for many subsurface applications including secure geologic carbon storage (GCS), critical mineral extraction, enhanced geothermal systems (EGS), and enhanced oil recovery (EOR). Traditionally, subsurface CO 2 injection for GCS applications has focused on geologic formations with favorable subsurface configurations for CO 2 migration and trapping through non-reactive mechanisms such as structural, solubility, and petrophysical trapping. Recently, CO 2 -reactive rocks such as mafic and ultramafic basalts have been investigated for their potential to react with injected CO 2 in situ to simultaneously dissolve host rock minerals and mineralize CO 2 as carbonates. Engineering rapid CO 2 mineralization in the subsurface is attractive because of the increased density of stored CO 2 , the additional safety factors associated with solidification, and the potential to extract valuable critical minerals. Here we present recent developments in the parallel flow and reactive transport simulator PFLOTRAN to model coupled CO 2 -brine flow and reactive transport for a wide range of injection and production applications involving reactive CO 2 -brine systems. These developments are based on the well established and trusted CO 2 flow capabilities in the STOMP-CO 2 simulator. New capabilities added to PFLOTRAN include new CO 2 -brine equations of state with optional thermal coupling, several new constitutive relationships like capillary pressure smoothing and scanning path hysteresis, a fully implicit well model, and native linkage with PFLOTRAN's well-established reactive transport libraries. A series of benchmarks between PFLOTRAN and STOMP-CO 2 verify the newly developed CO 2 -brine flow capabilities. Demonstrations of coupled CO 2 -brine flow modeling and reactive transport show how CO 2 mineralization can be engineered in reactive host rocks. Finally, an example use case involving copper leaching by CO 2 and critical mineral extraction is presented to showcase the strengths of this new implementation. Several limitations still remain, including limited availability of field data to parameterize models. Future work should constrain the evolution of mineral surface area during mineralization and the temperature and/or pH dependence of geochemical reactions for specific systems of interest.

Critical Minerals↗

DOE OSTI2024

An atomistic survey of shear coupling in asymmetric tilt grain boundaries and interpretation using the disconnections framework

Grain Boundaries (GB) play an important role in determining the behavior of polycrystalline materials. While the mechanisms of motion and associated shear response for symmetric tilt grain boundaries (STGBs) are well studied, the same is not true for asymmetric tilt grain boundaries (ATGBs) despite their greater prevalence in polycrystals. Here, this study aims to investigate the shear response of a large collection of asymmetric tilt grain boundaries (ATGBs) using molecular dynamics (MD) simulations and interpret the data using a discrete disconnections model that works remarkably well for STGBs. MD simulations of shear-driven ATGBs show that the plastic shear (shear coupling factor) in the region swept by a GB exhibits a complex dependence on the inclination angle, and this dependence changes with the misorientation of the GB. In addition, the shear response was observed to be highly sensitive to the applied shear rate and temperature. Recognizing the spatial and temporal scale limitations of MD simulations, we extended the discrete disconnections mesoscale model of Khateret al. (2012) to calculate the nucleation barriers of disconnection modes and predict the effective shear coupling of an ATGB. We observed that the mesoscale model’s predictions of the shear coupling factor of ATGBs do not agree with those observed in MD simulations. Finally, we examine the hypotheses of our mesoscale model that contribute to disagreements between MD simulations and the mesoscale model and propose improvements to the mesoscale model for future work.

36 MATERIALS SCIENCE↗

NASA NTRS2001

Environmental Characteristics of Convective Systems During TRMM-LBA

In this paper, data collected from 51 days of continual upper atmospheric soundings and TOGA radar at ABRACOS Hill during the TRMM-LBA experiment are used to describe the mean thermodynamic and kinematic airmass properties of wet season convection over Rondonia, Brazil. Distinct multi-day easterly and westerly lower tropospheric wind regimes occurred during the campaign with contrasting airmass characteristics. Westerly wind periods featured modest CAPE (1000 J/kg), moist conditions (>90% RH) extending through 700 mb and shallow (900 mb) speed shear on the order of 10(exp -4)/s. This combination of characteristics promoted convective systems that featured a relatively large fraction of stratiform rainfall and weak convection nearly devoid of lightning. The environment is very similar to the general airmass conditions experienced during the Darwin, Australia monsoon convective regime. In contrast, easterly regime convective systems were more strongly electrified and featured larger convective rain rates and reduced stratiform rainfall fraction. These systems formed in an environment with significantly larger CAPE (1500 J/kg), drier lower and middle level humidities (< 80% RH) and a wind shear layer that was both stronger (10(exp -3)/s) and deeper (700 mb). The larger CAPE resulted from strong insolation under relatively cloud-free skies (owing to reduced column humidity) and was also weakly capped in the lowest 1-2 km, thus contributing to a more explosive growth of convection. The time series of low- and mid-level averaged humidity exhibited marked variability between westerly and easterly regimes and was characterized by low frequency (i.e., multi-day to weekly) oscillations. The synoptic scale origins of these moisture fluctuations are examined, which include the effects of variable low-level airmass trajectories and upper-level, westward migrating cyclonic vortices. The results reported herein provide an environmental context for ongoing dual Doppler analyses and numerical modeling case studies of individual TRMM-LBA convective systems.

Halverson, Jeffrey B.↗

NASA NTRS1997

Cooperative Data Sharing: Simple Support for Clusters of SMP Nodes

Libraries like PVM and MPI send typed messages to allow for heterogeneous cluster computing. Lower-level libraries, such as GAM, provide more efficient access to communication by removing the need to copy messages between the interface and user space in some cases. still lower-level interfaces, such as UNET, get right down to the hardware level to provide maximum performance. However, these are all still interfaces for passing messages from one process to another, and have limited utility in a shared-memory environment, due primarily to the fact that message passing is just another term for copying. This drawback is made more pertinent by today's hybrid architectures (e.g. clusters of SMPs), where it is difficult to know beforehand whether two communicating processes will share memory. As a result, even portable language tools (like HPF compilers) must either map all interprocess communication, into message passing with the accompanying performance degradation in shared memory environments, or they must check each communication at run-time and implement the shared-memory case separately for efficiency. Cooperative Data Sharing (CDS) is a single user-level API which abstracts all communication between processes into the sharing and access coordination of memory regions, in a model which might be described as "distributed shared messages" or "large-grain distributed shared memory". As a result, the user programs to a simple latency-tolerant abstract communication specification which can be mapped efficiently to either a shared-memory or message-passing based run-time system, depending upon the available architecture. Unlike some distributed shared memory interfaces, the user still has complete control over the assignment of data to processors, the forwarding of data to its next likely destination, and the queuing of data until it is needed, so even the relatively high latency present in clusters can be accomodated. CDS does not require special use of an MMU, which can add overhead to some DSM systems, and does not require an SPMD programming model. unlike some message-passing interfaces, CDS allows the user to implement efficient demand-driven applications where processes must "fight" over data, and does not perform copying if processes share memory and do not attempt concurrent writes. CDS also supports heterogeneous computing, dynamic process creation, handlers, and a very simple thread-arbitration mechanism. Additional support for array subsections is currently being considered. The CDS1 API, which forms the kernel of CDS, is built primarily upon only 2 communication primitives, one process initiation primitive, and some data translation (and marshalling) routines, memory allocation routines, and priority control routines. The entire current collection of 28 routines provides enough functionality to implement most (or all) of MPI 1 and 2, which has a much larger interface consisting of hundreds of routines. still, the API is small enough to consider integrating into standard os interfaces for handling inter-process communication in a network-independent way. This approach would also help to solve many of the problems plaguing other higher-level standards such as MPI and PVM which must, in some cases, "play OS" to adequately address progress and process control issues. The CDS2 API, a higher level of interface roughly equivalent in functionality to MPI and to be built entirely upon CDS1, is still being designed. It is intended to add support for the equivalent of communicators, reduction and other collective operations, process topologies, additional support for process creation, and some automatic memory management. CDS2 will not exactly match MPI, because the copy-free semantics of communication from CDS1 will be supported. CDS2 application programs will be free to carefully also use CDS1. CDS1 has been implemented on networks of workstations running unmodified Unix-based operating systems, using UDP/IP and vendor-supplied high- performance locks. Although its inter-node performance is currently unimpressive due to rudimentary implementation technique, it even now outperforms highly-optimized MPI implementation on intra-node communication due to its support for non-copy communication. The similarity of the CDS1 architecture to that of other projects such as UNET and TRAP suggests that the inter-node performance can be increased significantly to surpass MPI or PVM, and it may be possible to migrate some of its functionality to communication controllers.

DiNucci, David C.↗