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At least 1,351 records · Page 75

Modeling Creep Effects in Advanced SiC/SiC Composites

Because advanced SiC/SiC composites are projected to be used for aerospace components with large thermal gradients at high temperatures, efforts are on-going at NASA Glenn to develop approaches for modeling the anticipated creep behavior of these materials and its subsequent effects on such key composite properties as internal residual stress, proportional limit stress, ultimate tensile strength, and rupture life. Based primarily on in-plane creep data for 2D panels, this presentation describes initial modeling progress at applied composite stresses below matrix cracking for some high performance SiC/SiC composite systems recently developed at NASA. Studies are described to develop creep and rupture models using empirical, mechanical analog, and mechanistic approaches, and to implement them into finite element codes for improved component design and life modeling

Lang, Jerry↗

Experimental Impacts into Strength-Layered Targets: Ejecta Kinematics and Crater Morphometry

Impact craters can serve as probes of the subsurface structure of a planetary body and provide hints about a target's properties. Crater morphology, for example, can be used to estimate the thickness of a regolith layer above a more competent unit. Small lunar craters in the maria show a morphological progression from a simple bowl shape to flat-floored and concentric as crater diameter increases for a given regolith thickness. The final shape is a result of the subsurface flow-field initiated as the projectile transfers its energy and momentum to the target surface. In strength-layered targets, such as the lunar maria, the substrate modifies the flow field and thereby the excavation of the crater. Here we report on a series of experimental impacts into targets composed of a layer of loose sand above a stronger substrate. As we varied the sand's thickness, we imaged individual ejecta trajectories as the craters grew, from which we derived ejection-speed scaling relationships. In addition, we used a 3D scanner to construct topographic maps of the substrate, pre-impact target, and post-impact surface. This permitted us to examine the final craters' morphologies and morphometries with respect to the original stratigraphy of the target. As expected, craters became shallower and smaller as the sand's thickness decreased, transitioning from bowl-shaped to concentric as observed on the Moon. Subtle and important details show that the stronger substrate affected the subsurface flow-field by redirecting material upward and outward even when the interface was still well below the final crater's floor. Compared to the control target (loose sand only), the stronger substrate below the sand layer resulted in a much more complex pattern of ejecta. While most of the ejected material was still contained within a typical outward-moving curtain, a number of ejected particles moved along low-speed, high-angle (near 90°) trajectories. The number of these high-angle trajectories increased as the sand layer thinned, perhaps implying that self-secondary cratering would require the presence of a strong subsurface layer below the impact site. Such results refine our understanding of crater excavation in layered targets with implications for ejecta deposits and final crater shapes observed on the Moon.

Jennifer L B Anderson↗

CERES FluxByCldTyp NB2BB Fluxes Improvement based on Deep Neural Network

The NASA Clouds and the Earth's Radiant Energy System (CERES) product provides over 20 years of accurately observed top-of-the-atmosphere (TOA) and surface flux data record for climate monitoring and diagnostic studies. The interaction between clouds and radiation interaction is a key factor that dominate climate feedbacks but is not well understood. To further advance our understanding of the cloud-radiation interaction, a new CERES FluxByCldTyp (FBCT) product has been developed that contains radiative fluxes by cloud-type, which can provide more stringent constraints when validating models and reveal more insight into the interactions between clouds and climate. For CERES partly cloudy and multiple cloud-type footprints, the FBCT product utilizes Moderate Resolution Imaging Spectroradiometer (MODIS) narrow-band (NB) imager channel radiances partitioned by cloud-type within a CERES footprint to estimate the cloud-type broadband fluxes. The MODIS multi-channel derived broadband fluxes were compared with the CERES observed footprint fluxes and were found to be within 1% and 2.5% for LW and SW, respectively, as well as being mostly free of cloud property dependencies. The FBCT all-sky and clear-sky monthly averaged fluxes were found to be consistent with the CERES SSF1deg product. This study takes advantage of recent progress in machine learning (ML) field by applying deep neural network algorithm to improve fluxes based on MODIS NB radiances. The preliminary study shows ML produce are an improvement over the current FBCT Edition 4 NB2BB algorithm. Furthermore, unlike Ed4 NB2BB, the new ML method convert NB radiances directly to broadband fluxes. For future Ed5, new NB radiances are proposed and used by ML to improve fluxes calculation. Prelimary results show significant LW improvement.

Moguo Sun↗

Flux Improvement based on Machine Learning for the CERES FluxByCldTyp Data Product

The NASA Clouds and the Earth's Radiant Energy System (CERES) product provides over 20 years of accurately observed top-of-the-atmosphere (TOA) and surface flux data record for climate monitoring and diagnostic studies. The interaction between clouds and radiation interaction is a key factor that dominate climate feedbacks but is not well understood. To further advance our understanding of the cloud-radiation interaction, a new CERES FluxByCldTyp (FBCT) product has been developed that contains radiative fluxes by cloud-type, which can provide more stringent constraints when validating models and reveal more insight into the interactions between clouds and climate. For CERES partly cloudy and multiple cloud-type footprints, the FBCT product utilizes Moderate Resolution Imaging Spectroradiometer (MODIS) narrow-band (NB) imager channel radiances partitioned by cloud-type within a CERES footprint to estimate the cloud-type broadband fluxes. The MODIS multi-channel derived broadband fluxes were compared with the CERES observed footprint fluxes and were found to be within 1% and 2.5% for LW and SW, respectively, as well as being mostly free of cloud property dependencies. The FBCT all-sky and clear-sky monthly averaged fluxes were found to be consistent with the CERES SSF1deg product. This study takes advantage of recent progress in machine learning (ML) field by applying deep neural network algorithm to improve fluxes based on MODIS NB radiances. The preliminary study shows ML produce are an improvement over the current FBCT Edition 4 NB2BB algorithm. Furthermore, unlike Ed4 NB2BB, the new ML method convert NB radiances directly to broadband fluxes. For future Ed5, new NB radiances are proposed and used by ML to improve fluxes calculation. Prelimary results show significant LW improvement.

Moguo Sun↗

Improvement of Radiative Fluxes for the CERES FluxByCldTyp Data Product Based on Machine Learning Technique

The NASA Clouds and the Earth's Radiant Energy System (CERES) product provides over 20 years of accurately observed top-of-the-atmosphere and surface flux data for climate studies. The interaction between clouds and radiation interaction is a key factor that dominate climate feedbacks but is not well understood. To further advance our understanding of the cloud-radiation interaction, a new CERES FluxByCldTyp (FBCT) product has been developed that contains radiative fluxes by cloud-type, which can provide more stringent constraints when validating models. The FBCT product utilizes Moderate Resolution Imaging Spectroradiometer (MODIS) narrow-band (NB) imager channel radiances partitioned by cloud-type within a CERES footprint to estimate their broadband fluxes. The MODIS multi-channel derived broadband fluxes were compared with the CERES observed footprint fluxes and were found to be within 1% and 2.5% for LW and SW, respectively, as well as being mostly free of cloud property dependencies. The FBCT all-sky and clear-sky monthly averaged fluxes were found to be consistent with the CERES SSF1deg product. This study takes advantage of recent progress in machine learning (ML) field by applying deep neural network algorithm to improve fluxes based on MODIS NB radiances. The preliminary study shows ML produce are an improvement over the current FBCT Edition 4 NB2BB algorithm. Furthermore, unlike Ed4 NB2BB, the new ML method convert NB radiances directly to broadband fluxes. For future Ed5, new NB radiances are proposed and used by ML to improve fluxes calculation. Preliminary results show significant LW improvement.

Sun, Moguo↗

Improvement of Radiative Fluxes for the CERES FluxByCldTyp Data Product Based on Machine Learning Technique

The NASA Clouds and the Earth's Radiant Energy System (CERES) product provides over 20 years of accurately observed top-of-the-atmosphere (TOA) and surface flux data record for climate monitoring and diagnostic studies. The interaction between clouds and radiation interaction is a key factor that dominate climate feedbacks but is not well understood. To further advance our understanding of the cloud-radiation interaction, a new CERES FluxByCldTyp (FBCT) product has been developed that contains radiative fluxes by cloud-type, which can provide more stringent constraints when validating models and reveal more insight into the interactions between clouds and climate. For CERES partly cloudy and multiple cloud-type footprints, the FBCT product utilizes Moderate Resolution Imaging Spectroradiometer (MODIS) narrow-band (NB) imager channel radiances partitioned by cloud-type within a CERES footprint to estimate the cloud-type broadband fluxes. The MODIS multi-channel derived broadband fluxes were compared with the CERES observed footprint fluxes and were found to be within 1% and 2.5% for LW and SW, respectively, as well as being mostly free of cloud property dependencies. The FBCT all-sky and clear-sky monthly averaged fluxes were found to be consistent with the CERES SSF1deg product. This study takes advantage of recent progress in machine learning (ML) field by applying deep neural network algorithm to improve fluxes based on MODIS NB radiances. The preliminary study shows ML produce are an improvement over the current FBCT Edition 4 NB2BB algorithm. Furthermore, unlike Ed4 NB2BB, the new ML method convert NB radiances directly to broadband fluxes. For future Ed5, new NB radiances are proposed and used by ML to improve fluxes calculation. Prelimary results show significant LW improvement.

Moguo Sun↗

Improving Radiative Fluxes for the CERES FluxByCldTyp Data Product Using Deep Neural Network

The NASA Clouds and the Earth's Radiant Energy System (CERES) product provides over 20 years of accurately observed top-of-the-atmosphere (TOA) and surface flux data record for climate monitoring and diagnostic studies. The interaction between clouds and radiation interaction is a key factor that dominate climate feedbacks but is not well understood. To further advance our understanding of the cloud-radiation interaction, a new CERES FluxByCldTyp (FBCT) product has been developed that contains radiative fluxes by cloud-type, which can provide more stringent constraints when validating models and reveal more insight into the interactions between clouds and climate. For CERES partly cloudy and multiple cloud-type footprints, the FBCT product utilizes Moderate Resolution Imaging Spectroradiometer (MODIS) narrow-band (NB) imager channel radiances partitioned by cloud-type within a CERES footprint to estimate the cloud-type broadband fluxes. The MODIS multi-channel derived broadband fluxes were compared with the CERES observed footprint fluxes and were found to be within 1% and 2.5% for LW and SW, respectively, as well as being mostly free of cloud property dependencies. The FBCT all-sky and clear-sky monthly averaged fluxes were found to be consistent with the CERES SSF1deg product. This study takes advantage of recent progress in machine learning (ML) field by applying deep neural network algorithm to improve fluxes based on MODIS NB radiances. The preliminary study shows ML produce are an improvement over the current FBCT Edition 4 NB2BB algorithm. Furthermore, unlike Ed4 NB2BB, the new ML method convert NB radiances directly to broadband fluxes. For future Ed5, new NB radiances are proposed and used by ML to improve fluxes calculation. Preliminary results show significant LW improvement.

Sun, Moguo↗

Status on Development of Graphite Analytical Tool (GAT)

The DOE-ART Graphite R&D program has been generating significant amounts of irradiated and unirradiated graphite data since 2006 when the program was part of the DOE NGNP (Next Generation Nuclear Plant) Project. This data includes critical irradiation creep and irradiated material property changes from the Advanced Graphite Creep (AGR) experiment as well as significant amounts of data on unirradiated material property values on several current nuclear graphite grades (Baseline program). Previously, Idaho National Laboratory has developed an internal analysis tool to assist with analysis of the unirradiated and irradiated data. The Graphite Analytical Tool (GAT) is intended to provide easy access to the graphite data in the form of comparing unirradiated and irradiated material property changes, comparison of material property differences between various nuclear graphite grades, and illustrate trends within the irradiated and unirradiated data generated within the DOE-ART Graphite R&D program. This report summarizes the progress to-date on the development of this analytical tool.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Long-Term Performance of Uranium Tailings Disposal Cells - 13340

Recently, there has been interest in the performance and evolution of Uranium Mill Tailings Remedial Action (UMTRA) Project disposal cell covers because some sites are not compliant with groundwater standards. Field observations of UMTRA disposal cells indicate that rock covers tend to become vegetated and that saturated conductivities in the upper portion of radon barriers may increase due to freeze/thaw cycles and biointrusion. This paper describes the results of modeling that addresses whether these potential changes and transient drainage of moisture in the tailings affect overall performance of the disposal cells. A numerical unsaturated/saturated 3-dimensional flow model was used to simulate whether increases in saturated conductivities in radon barriers with rock covers affect the overall performance of the disposal cells using field data from the Shiprock, NM, UMTRA site. A unique modeling approach allowed simulation with daily climatic conditions to determine changes in moisture and moisture flux from the disposal cell. Modeling results indicated that increases in the saturated conductivity at the top of radon barrier do not influence flux from the tailings with time because the tailings behave similar hydraulically to the radon barrier. The presence of a thin layer of low conductivity material anywhere in the cover or tailings restricts flux in the worst case to the saturated conductivity of that material. Where materials are unsaturated at depth within the radon barrier of tailings slimes, conductivities are typically less than 10{sup -8} centimeters per second. If the low conductivity layer is deep within the disposal cell, its saturated properties are less likely to change with time. The significance of this modeling is that operation and maintenance of the disposal cells can be minimized if they are allowed to progress to a natural condition with some vegetation and soil genesis. Because the covers and underlying tailings have a very low saturated hydraulic conductivity after transient drainage, eventually the amount of moisture leaving the tailings has a negligible effect on groundwater quality. Although some of the UMTRA sites are not in compliance with the groundwater standards, the explanation may be legacy contamination from mining, or earlier higher fluxes from the tailings or unlined processing ponds. Investigation of other legacy sources at the UMTRA sites may help explain persistent groundwater contamination. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Overview of LWR Accident Tolerant Fuel Development in the United States

The U.S. Department of Energy (DOE) has conducted research and development (R and D) for enhanced, accident tolerant fuels (ATF) for light water reactors (LWRs) since 2012. The recently released Road-map to Congress for 'Development of Light Water Reactor Fuels with Enhanced Accident Tolerance' establishes the attributes that are desired for fuels that will exhibit enhanced accident tolerance and defines a path forward for the necessary R and D activities that will result in a lead fuel rod (LFR) or assembly (LFA) insertion in an operating, commercial LWR by 2022 to demonstrate the possibility of these advanced technologies. The aggressive development timeline is directed by Congressional language in the Senate Appropriations Committee Report (Senate Report 112-75), included in the Fiscal Year (FY) 2012 Energy and Water Development Appropriations Bill. ATF development is intended to be impactful to the current fleet of LWRs and future Generation III+ reactors. The development, future licensing and utility adoption of ATF technology will empower development of advanced technologies with safety significance. The work has progressed significantly since 2012, with multiple fuel and cladding concepts currently undergoing fundamental R and D including in-pile irradiation and out-of-pile testing to measure fundamental properties and to demonstrate performance under expected conditions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of SiC-based Cladding for Accident Tolerant Fuels

Fuels and core structures in current light water reactors (LWR's) are vulnerable to catastrophic failure in severe accidents. This vulnerability is attributed primarily to the rapid oxidation kinetics of zirconium alloys in a water vapor environment at very high temperatures. Alternative materials to zirconium alloys with reduced oxidation kinetics are sought to enable enhanced accident-tolerant fuels and cores. Among the candidate alternatives, silicon carbide (SiC) - based materials, in particular continuous SiC fiber-reinforced SiC matrix ceramic composites (SiC/SiC composites), are considered to offer outstanding safety benefits. The primary objective of this work is to provide with updated overviews of the concepts, development status, and future prospect for the SiC-based accident-tolerant fuel (ATF) claddings. A systematic technology evaluation program plan was developed and updated to review the technologies needed, to identify and analyze critical gaps, and to lay out a road-map toward establishing key technologies. The technology review and the gap analysis in this exercise were based on an early study and community workshops. Many of the technical gaps identified are related with the three key feasibility issues: hydrothermal corrosion, mechanical failure, and fuel compatibility. Additional performance issues including accident-tolerance features and fission product retention during the normal operation have also been identified. The program plan was designed to systematically address the key gap issues and is formulated in a work breakdown structure. Simultaneously, the plan is being established to set a technical program for advancing the technological readiness levels of concept non-specific essential technologies in three top-level categories of Design and Failure, Environmental Effects, and Off-normal Behavior. The execution of the program plan is in progress across the U.S. Department of Energy laboratories, industries, universities, and international collaborators. The critical issues for SiC composite-based fuel cladding concepts were found to be related to the performance in the normal operation. In particular, radiation-assisted hydrothermal corrosion and the gaseous fission product (FP) retention are identified to be the most critical issues. The primary ORNL concept pursues the use of dual-purpose coating on the SiC composite cladding wall to mitigate the corrosion and the gas permeation issues at the same time, whereas the alternative approaches such as the dense monolithic SiC protective layer combined with the water chemistry control may be feasible. Surface metallization through variations of physical vapor deposition and electroplating are being demonstrated. The FP gas retention is an issue associated with the cracking for the ceramic matrix composite cladding. To establish the probabilistic failure behavior, the relevant test methods were developed in ASTM Committee C28 on Advanced Ceramics. Toward the end-plugging technology development, various methods for joining SiC to SiC had been developed and tested for mechanical properties, irradiation effects, and environmental effects. Multiple methods including the pressureless transient eutectic SiC joining and CVD-based SiC joining were identified particularly promising. In addition, a multi-physics, three-dimensional finite element-based modeling is in progress toward an integrated simulation of the SiC composite-cladded fuel evolutions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Towards a Deeper Fundamental Understanding of (Al,Sc)N Ferroelectric Nitrides

Density functional theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-allowed analytical expression of the internal energy and having parameters determined from first principles, to investigate properties and energetics of Al1-xScxN ferroelectric nitrides in their hexagonal forms. These DFT computations and this model predict the existence of two different types of minima, namely, the fourfold-coordinated wurtzite (WZ) polar structure and a five-fold coordinated paraelectric hexagonal phase (denoted as H5), for any Sc composition up to 40%. The H5 minimum progressively becomes the lowest-energy state within hexagonal symmetry as the Sc concentration increases from 0 to 0.4. Furthermore, the model points to several key findings. Examples include the crucial role of the coupling between polarization and strains to create the WZ minimum, in addition to polar and elastic energies, and that the origin of the H5 state overcoming the WZ phase as the global minimum within hexagonal symmetry when increasing the Sc composition mostly lies in the compositional dependency of only two parameters-one linked to the polarization and another one being purely elastic in nature. Other examples are that forcing Al1-xScxN systems to have no or a weak change in lattice parameters when heating them allows us to reproduce their finite-temperature polar properties well and that a value of the axial ratio close to that of the ideal WZ structure implies a large polarization at low temperatures but not necessarily at high temperatures because of the ordered-disordered character of the temperature-induced formation of the WZ state. Such findings should allow for a better fundamental understanding of (Al,Sc)N ferroelectric nitrides, which may be used to design efficient devices having, e.g., low operating voltages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CMC Research at NASA Glenn in 2014: Recent Progress and Plans

As part of NASA's Aeronautical Sciences project, Glenn Research Center has developed advanced fiber and matrix constituents for a 2700F CMC for turbine engine applications. Fiber, matrix and CMC development activities will be reviewed and the improvements in the properties and durability of each will be summarized. Plans for 2014 will be summarized, including fabrication and durability testing of the 2700F CMC and status updates on research collaborations underway with AFRL and DOE

propulsion↗

Geomechanics-Based Stochastic Analysis of Injection- Induced Seismicity

The production of geothermal energy from dry and low permeability reservoirs is achieved by water circulation in natural and/or man-made fractures, and is referred to as enhanced or engineered geothermal systems (EGS). Often, the permeable zones have to be created by stimulation, a process which involves fracture initiation and/or activation of discontinuities such as faults and joints due to pore pressure and the in-situ stress perturbations. The stimulation of a rock mass is often accompanied by multiple microseismic events. Micro-seismic events associated with rock failure in shear, and shear slip on new or pre-existing fracture planes and possibly their propagations. The microseismic signals contain information about the sources of energy that can be used for understanding the hydraulic fracturing process and the created reservoir properties. Detection and interpretation of microseismic events is useful for estimating the stimulated zone, created reservoir permeability and fracture growth, and geometry of the geological structures and the in-situ stress state. The process commonly is referred to as seismicity-based reservoir characterization (SBRC). Although, progress has been made by scientific & geothermal communities for quantitative and qualitative analysis of reservoir stimulation using SBRC several key questions remain unresolved in the analysis of micro-seismicity namely, variation of seismic activity with injection rate, delayed micro-seismicity, and the relation of stimulated zone to the injected volume and its rate, and the resulting reservoir permeability. In addition, the current approach to SBRC does not consider the full range of relevant poroelastic and thermoelastic phenomena and neglects the uncertainty in rock properties and in-situ stress in the data inversion process. The objective of this research and technology developments was to develop a 3D SBRC model that addresses these shortcomings by taking into account hydro-thermo-poro-mechanical mechanisms associated with injection and utilizing a state-of-the-art stochastic inversion procedure. The approach proposed herein is innovative and significantly improves the existing SBCR technology (e.g., Shapiro et al. 2003) for geothermal reservoirs in several ways. First, the current scope of the SBRC is limited with respect to the physical processes considered and the rock properties used. Usually, the geomechanics analyses within SBRC is limited to the pore pressure diffusion in the rock mass, which is modeled using a time-dependent parabolic equation and solved using a finite element algorithm with either a line or a point source. However, water injection induces both poroelastic and thermoelastic stresses in the rock mass which affect the stress state. In fact, it has been suggested that thermoelastic stresses can play a dominant role in reservoir seismicity (Ghassemi et al., 2007). We include these important effects by using a fully-coupled poro-thermoelastic constitutive equations for the rock mass which will be solved using a 3D finite element model with more realistic injection geometries such as multiple injection/extraction sources (and in fractures), uncertainty in the material parameters and the in-situ stress distribution to better reflect the pore pressure and stress distributions. In addition, we developed a 3D stochastic fracture network model to study MEQ generation in fracture rocks. The model was verified using laboratory experiments, and calibrated and applied to Newberry EGS stimulation. In previous SBRC approaches, the triggering of micro-seismicity is modeled base on the assumption that the prior stochastic criticality model of the rock mass is a valid and adequate description. However, this assumption often does not hold in the field. Thus, we improved upon the current SBRC approach by using the micro-seismic responses to estimate the hydraulic diffusivity as well as the criticality distribution itself within the field. In this way, instead of relying on our a priori knowledge of criticality distribution, we combine an initial probabilistic description of criticality with the information contained in microseismic measurements to arrive at criticality solutions that are conditioned on both field data and our prior knowledge. Previous SBRC have relied upon a deterministic inversion approach to estimate the permeability, and the extent of the stimulated zone, whereas a stochastic inversion algorithm that recognizes and quantifies the uncertainties in the prior model, the time evolution of pore pressure distributions (modeling errors), and the observed seismic events is developed and used herein to realistically assess the quality of the solution. Finally, we developed a technique for processing discrete MEQ data to estimate fracture network properties such as dip and dip directions. The approach was successfully applied to the Fenton Hill HRD experiment and the Newberry EGS with results in good agreement with field observations.

15 GEOTHERMAL ENERGY↗

Final technical report for project titled Quantitative Characterization of Cell Aggregation/Adhesion as Predictor for Distribution and Transport of Microorganisms in Subsurface Environment

This project aims to explore and develop enabling methodology and techniques for nano-scale characterization of microbe cell surface contact mechanics, interactions and adhesion quantities that allow for identification and quantification of indicative properties related to microorganism migration and transport behavior in porous media and in subsurface environments. Microbe transport has wide impact and therefore is of great interest in various environmental applications such as in situ or enhanced subsurface bioremediation,filtration processes for water and wastewater treatments and protection of drinking water supplies. Although great progress has been made towards understanding the identities and activities of these microorganisms in the subsurface, to date, little is known of the mechanisms that govern the mobility and transport of microorganisms in DOE’s contaminated sites, making the outcomes of in situ natural attenuation or contaminant stability enhancement unpredictable. Conventionally, movement of microorganisms was believed to follows the rules governing solute (particle) transport. However, recent studies revealed that cell surface properties, especially those pertaining to cell attachment/adhesion and aggregation behavior, can cause the microbe behavior to deviate from non-viable particles and hence greatly influence the mobility and distribution of microorganisms in porous media.This complexity highlights the need to obtain detailed information of cell-cell and cell-surface interactions in order to improve and refine the conceptual and quantitative model development for fate and transport of microorganisms and contaminant in subsurface. Traditional cell surface characterization methods are not sufficient to fully predict the deposition rates and transport behaviors of microorganism observed. A breakthrough of methodology that would allow for quantitative and molecular-level description of intrinsic cell surface properties indicative for cell-surface interactions is essential for the field. To tackle this, we have developed a number of new Bio-nanomechanical techniques, including reflection interference contrast microscopy (RICM) and bio-AFM (Atomic Force Microscopy), for cell adhesion-detachment measurement of the long-range surface interactions, in combination with mathematical modeling, which would allow us to characterize the mechanical behavior from single cell to multi-cell aggregate, critical thresholds for large scale coaggregation and transportation of cells and aggregates in the presence of long range inter-surface forces etc. Although some technical and mathematical challenges remain, the preliminary results promise great breakthrough potential. In this study, we investigated the cellular surface characteristics of representative bio-remediating microorganisms relevant to DOE IFRC (Integrated Field-Scale Subsurface Research Challenges) sites and their transport behaviors in porous media, aiming to draw a groundbreaking correlation between the micro-scale genetic and biological origin-based cell surface properties, the consequent mechanical adhesion and aggregation behaviors, and the macro-scale microbial mobility and retention in porous media, which are unavailable in the literature. The long-term goal is to significantly improve the mechanistic and quantitative understanding of microbial mobility, sorption, and transport within reactive transport models as needed to manipulate subsurface contaminant fate and transport predictions.

54 ENVIRONMENTAL SCIENCES↗

A COHERENT STUDY OF EMISSION LINES FROM BROADBAND PHOTOMETRY: SPECIFIC STAR FORMATION RATES AND [O iii]/Hβ RATIO AT 3 < z < 6

We measure the Hα and [O iii] emission line properties as well as specific star formation rates (sSFRs) of spectroscopically confirmed 3 < z < 6 galaxies in COSMOS from their observed colors versus redshift evolution. Our model describes consistently the ensemble of galaxies including intrinsic properties (age, metallicity, star formation history), dust attenuation, and optical emission lines. We forward-model the measured Hα equivalent widths (EW) to obtain the sSFR out to z ∼ 6 without stellar mass fitting. We find a strongly increasing rest-frame Hα EW that is flattening off above z ∼ 2.5 with average EWs of 300–600 Å at z ∼ 6. The sSFR is increasing proportionally to (1+z){sup 2.4} at z < 2.2 and to (1+z){sup 1.5} at higher redshifts, indicative of a fast build-up of mass in high-z galaxies within e-folding times of 100–200 Myr at z ∼ 6. The redshift evolution at z > 3 cannot be fully explained in a picture of growth driven by cold accretion. We find a progressively increasing [O iii]λ5007/Hβ ratio out to z ∼ 6, consistent with the ratios in local galaxies selected by increasing Hα EW (i.e., sSFR). This demonstrates the potential of using “local high-z analogs” to investigate the spectroscopic properties and relations of galaxies in the re-ionization epoch.

79 ASTRONOMY AND ASTROPHYSICS↗

pi-Extended Porphyrins: The Impact of Aromatic Heterocycles on the Properties of the Largely pi-Extended Structures (Final Report_UNT_SC0016766)

Largely π-extended carbon-rich materials represent fascinating yet challenging frontiers in chemistry and materials science as it offers numerous opportunities in molecular electronics. pi-Extended porphyrins possess unique set of electronic and photophysical properties and are very attractive for a wide range of applications. However, the synthesis and functionalization of pi-extended porphyrins had been very challenging. To explore and expand this intriguing research field, it is essential to develop synthetic tools to make them accessible. Funded by the Department of Energy Basic Energy Science, my laboratory addressed these synthetic challenges by developing concise and versatile methods for pi-extended porphyrins. Significant progress has been made in multiple directions, including fusing Polycyclic Aromatic Hydrocarbons (PAH), aromatic heterocycles, antiaromatic component, and cross-conjugated component to porphyrins as well as push-pull porphyrins. The availability of these methods has made it possible to rationally design and synthesize functionalized pi-extended porphyrins. Unprecedented electronic and photophysical properties have been discovered for these pi-extended porphyrins.

36 MATERIALS SCIENCE↗

Predicting Fluid Flow Regime, Permeability, and Diffusivity in Mudrocks from Multiscale Pore Characterisation

In geoenergy applications, mudrocks prevent fluids to leak from temporary (H 2 , CH 4 ) or permanent (CO 2 , radioactive waste) storage/disposal sites and serve as a source and reservoir for unconventional oil and gas. Understanding transport properties integrated with dominant fluid flow mechanisms in mudrocks is essential to better predict the performance of mudrocks within these applications. In this study, small-angle neutron scattering (SANS) experiments were conducted on 71 samples from 13 different sets of mudrocks across the globe to capture the pore structure of nearly the full pore size spectrum (2 nm–5 μm). We develop fractal models to predict transport properties (permeability and diffusivity) based on the SANS-derived pore size distributions. The results indicate that transport phenomena in mudrocks are intrinsically pore size-dependent. Depending on hydrostatic pore pressures, transition flow develops in micropores, slip flow in meso- and macropores, and continuum flow in larger macropores. Fluid flow regimes progress towards larger pore sizes during reservoir depletion or smaller pore sizes during fluid storage, so when pressure is decreased or increased, respectively. Capturing the heterogeneity of mudrocks by considering fractal dimension and tortuosity fractal dimension for defined pore size ranges, fractal models integrate apparent permeability with slip flow, Darcy permeability with continuum flow, and gas diffusivity with diffusion flow in the matrix. This new model of pore size-dependent transport and integrated transport properties using fractal models yields a systematic approach that can also inform multiscale multi-physics models to better understand fluid flow and transport phenomena in mudrocks on the reservoir and basin scale.

36 MATERIALS SCIENCE↗