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535 records · Page 30

Oxygen diffusion in garnet: Experimental calibration and implications for timescales of metamorphic processes and retention of primary O isotopic signatures

Knowledge of oxygen diffusion in garnet is crucial for a correct interpretation of oxygen isotope signatures in natural samples. A series of experiments was undertaken to determine the diffusivity of oxygen in garnet, which remains poorly constrained. The first suite included high-pressure (HP), nominally dry experiments performed in piston-cylinder apparatus at: (1) T = 1050–1600 °C and P = 1.5 GPa and (2) T = 1500 °C and P = 2.5 GPa using yttrium aluminum garnet (YAG; Y3Al5O12) cubes. Second, HP H2O-saturated experiments were conducted at T = 900 °C and P = 1.0–1.5 GPa, wherein YAG crystals were packed into a YAG + Corundum powder, along with 18O-enriched H2O. Third, 1 atm experiments with YAG cubes were performed in a gas-mixing furnace at T = 1500–1600 °C under Ar flux. Finally, an experiment at T = 900 °C and P = 1.0 GPa was done using a pyrope cube embedded into pyrope powder and 18O-enriched H2O. Experiments using grossular were not successful. Profiles of 18O/(18O+16O) in the experimental charges were analyzed with three different secondary ion mass spectrometers (SIMS): sensitive high-resolution ion microprobe (SHRIMP II and SI), CAMECA IMS-1280, and NanoSIMS. Considering only the measured length of 18O diffusion profiles, similar results were obtained for YAG and pyrope annealed at 900 °C, suggesting limited effects of chemical composition on oxygen diffusivity. However, in both garnet types, several profiles deviate from the error function geometry, suggesting that the behavior of O in garnet cannot be fully described as simple concentration-independent diffusion, certainly in YAG and likely in natural pyrope as well. The experimental results are better described by invoking O diffusion via two distinct pathways with an inter-site reaction allowing O to move between these pathways. Modeling this process yields two diffusion coefficients (D values) for O, one of which is approximately two orders of magnitude higher than the other. Taken together, Arrhenius relationships are:logDm2s-1=-7.2(±1.3)+(-321(±32)kJmol-12.303RT) for the slow pathway, andlogDm2s-1=-5.4(±0.7)+(-321(±20)kJmol-12.303RT) for the fast pathway. We interpret the two pathways as representing diffusion following vacancy and inter-stitial mechanisms, respectively. Regardless, our new data suggest that the slow mechanism is prevalent in garnet with natural compositions, and thus is likely to control the retentivity of oxygen isotopic signatures in natural samples. The diffusivity of oxygen is similar to Fe-Mn diffusivity in garnet at 1000–1100 °C and Ca diffusivity at 850 °C. However, the activation energy for O diffusion is larger, leading to lower diffusivities at P-T conditions characterizing crustal metamorphism. Therefore, original O isotopic signatures can be retained in garnets showing major element zoning partially re-equilibrated by diffusion, with the uncertainty caveat of extrapolating the experimental data to lower temperature conditions.

Geochemistry & Geophysics↗

Evaluation of Computed Tomography Techniques for Material Identification in Low Level and Intermediate Level Waste - 16648

Measures required to assure long term safe storage of Low-level and intermediate-level short-lived (LIL/SL) waste generated by the nuclear-power industry in France include the characterization of the waste and identification of materials within the waste. Digital Radiography (DR) techniques using x-ray at energies in the 6 MeV range have been shown to be effective for validation of the integrity of the concrete containers, and it was considered that the use of this technique together with the addition of Computed Tomography (CT) techniques could effectively identify materials within the waste. This paper describes the initial evaluation of two DR imaging techniques and two CT techniques using x-ray energy spectra up to 9 MeV to inspect a surrogate waste package, which comprised an outer concrete cylindrical container of 1400 mm diameter with 148 mm wall thickness, and an overall volume of 2 meters cubed, within which a 200 liter drum containing representative heterogeneous inactive waste, was placed in the center and the annulus between the 200 liter drum and the outer cylindrical package was filled with cement grout. The surrogate waste within the 200 liter drum comprised three separate layers of high density, medium density and low density mixed materials. The equipment used was a linear accelerator producing high energy spectra at either 6 MeV or 9 MeV and a high-precision CT manipulator with X, Y, Z and rotation motions, which were common to all techniques investigated. Two different digital detectors were used in the DR and CT performance evaluations, a Digital Detector Array (DDA) comprising a columnar Thallium-doped Cesium-Iodide scintillator screen in intimate contact with a 2 k by 2 k array of amorphous silicon detectors, 200 μm x 200 μm in area, and a Linear Diode Array (LDA) comprising a line of Cadmium-Tungstate columns, 1 cm thick and 400 μm x 400 μm in area. The work comprised evaluations of linear accelerator spectra and the attenuation effects of the waste container and contents, image acquisition performance of each detector, and CT techniques using area detector and linear detector. The results presented in this paper include mathematical evaluation of the two CT techniques, and analysis of measurement data, digital images, CT reconstruction images, and estimated material densities. The data was compared with recorded details and photographs of the actual configuration of materials within the surrogate waste. The Digital Detector Array can generate CT inspection volumes with considerable resolution and detail for the low-density and medium-density sections of the surrogate waste, however, the high-density sections were not imaged with sufficient detail and the images contained a large number of artifacts mainly due to the detectors lack of high energy photon stopping power. Materials identification with the Digital Detector Array, while possible for certain materials, for materials in the steel to plastic density range the attenuation values of the voxels in the reconstruction are too similar and difficult to resolve from the artifacts present. The Linear Diode Array can generate CT inspection volumes of regions of interest of the low-density and medium-density sections with considerable resolution and contrast, and potentially acceptable levels of resolution and contrast of the high-density section of the waste. While a few artifacts were present in the reconstructions, the majority are not due to the fundamental properties of the detector and are considered to be correctable. Materials identification with the LDA inspection data appear to be viable, with steel, copper, and higher-density metals being readily be distinguished from other materials on the basis of voxel value. Future work is needed to obtain a better definition of optimum spatial resolution and inspection speed, and to develop a system of 'calibration rods' which would consist of a series of 50 mm diameter cylinders of 7 materials; Plastic, Teflon, Concrete, Aluminum, Copper, Tungsten and Lead. The cylinders will be distributed at a certain radius in the surrogate waste and will be used as reference points in the evaluation and demonstration of the contrastive performance for the low, medium and high-density cases. The ability to identify the materials within a sealed waste container, by nondestructive examination, enables the verification of waste acceptance criteria without the need to open the waste containers. This eliminates the need for complex and expensive equipment to open and remotely handle the intermediate level waste, avoids potential hazards and risk of personnel dose uptake, and does not increase the volume of waste caused by repackaging of materials after examination and the decontamination or disposal of equipment used.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Optical Properties of Nanosatellite Hardware

Over the last decade, a number of very small satellites have been launched into space. These have been called nanosatellites (generally of a weight between 1 and 10 kg) or picosatellites (weight <1 kg). This also includes CubeSats, which are based on 10-cm cube units. With the addition of the Japanese Experiment Module (JEM) Small Satellite Orbital Deployer (J-SSOD) to the International Space Station (ISS), CubeSats are easily cycled through the JEM airlock and deployed into space (fig. 1). The number of CubeSats launched since 2003 was approaching 100 at the time of publication, and the authors expect this trend in research to continue, particularly for high school and college flight experiments. Because these spacecraft are so small, there is usually no allowance for shielding or active heating or cooling of the avionics and other hardware. Parts that are usually ignored in the thermal analysis of larger spacecraft may contribute significantly to the heat load of a tiny satellite. In addition, many small satellites have commercial-off-the-shelf (COTS) components. To reduce costs, many providers of COTS components do not include the optical and physical parameters necessary for accurate thermal analysis. Marshall Space Flight Center participated in the development and analysis of the Space Missile Defense Command-Operational Nanosatellite Effect (SMDC-ONE) and the Edison Demonstration of Smallsat Networks (EDSN) nanosatellites. These optical property measurements are documented here in hopes that they may benefit future nanosatellite and picosatellite programs and aid thermal analysis to ensure project goals are met, with the understanding that material properties may vary by vendor, batch, manufacturing process, and preflight handling. Where possible, complementary data are provided from ground simulations of the space environment and flight experiments, such as the Materials on International Space Station Experiment (MISSE) series. NASA gives no recommendation, endorsement, or preference, either expressed or implied, concerning materials and vendors used. Solar absorptance was calculated from spectral reflectance measurements made from 250 to 2,800 nm with an AZ Technology Laboratory Portable Spectroreflectometer (LPSR) model 300. ASTM E-903 was the test method used under normal laboratory conditions, and ASTM E-490 was the solar spectral irradiance data used to calculate solar absorptance. Most of the samples were flat, but stray light was minimized as much as possible with either a blackbody or black cloth as sample background. The LPSR has repeatability of approximately +/-1%, where solar absorptance is given as range, that is, from actual measurements taken across the sample. Infrared emittance measurements were made with an AZ Technology TEMP 2000A infrared reflectometer. This instrument measures the total hemispheric reflectance averaged over 3-35 micrometer wavelengths. ASTM E-408 was the test method used under normal laboratory conditions. 3 Stray light was minimized as much as possible. The TEMP 2000A has repeatability of approximately +/-0.5%, where infrared emittance is given as a range, that is, from actual measurements taken across the sample.

Finckenor, M. M.↗

Growth of different phases and morphological features of MnS thin films by chemical bath deposition: Effect of deposition parameters and annealing

Manganese sulfide thin films have been deposited on glass slides by chemical bath deposition (CBD) method. The effects of preparative parameters such as deposition time, bath temperature, concentration of precursors, multi-layer deposition, different source of manganese, different complexing agent and thermal annealing on structural and morphological film properties have been investigated. The prepared thin films have been characterized using the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). It exhibit the metastable forms of MnS, the hexagonal γ-MnS wurtzite phase with preferential orientation in the (002) plane or the cubic β-MnS zinc blende with preferential orientation in the (200) plane. Microstructural studies revealed the formation of MnS crystals with different morphologies, such as hexagons, spheres, cubes or flowers like. - Graphical Abstract: We report the preparation of different phases of manganese sulfide thin films (γ, β and α-MnS) by chemical bath deposition method. The effects of deposition parameters such as deposition time and temperature, concentrations of precursors and multi-layer deposition on MnS thin films structure and morphology were investigated. The influence of thermal annealing under nitrogen atmosphere at different temperature on MnS properties was also studied. Different manganese precursors as well as different complexing agent were also used. - Highlights: • γ and β-MnS films were deposited on substrate using the chemical bath deposition. • The effect of deposition parameters on MnS film properties has been investigated. • Multi-layer deposition was also studied to increase film thickness. • The effect of annealing under N{sub 2} at different temperature was investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MULTI-COMPONENT ANALYSIS OF POSITION-VELOCITY CUBES OF THE HH 34 JET

We present an analysis of H{alpha} spectra of the HH 34 jet with two-dimensional spectral resolution. We carry out multi-Gaussian fits to the spatially resolved line profiles and derive maps of the intensity, radial velocity, and velocity width of each of the components. We find that close to the outflow source we have three components: a high (negative) radial velocity component with a well-collimated, jet-like morphology; an intermediate velocity component with a broader morphology; and a positive radial velocity component with a non-collimated morphology and large linewidth. We suggest that this positive velocity component is associated with jet emission scattered in stationary dust present in the circumstellar environment. Farther away from the outflow source, we find only two components (a high, negative radial velocity component, which has a narrower spatial distribution than an intermediate velocity component). The fitting procedure was carried out with the new AGA-V1 code, which is available online and is described in detail in this paper.

79 ASTRONOMY AND ASTROPHYSICS↗

Jovian Chromophore Characteristics from Multispectral HST Images

The chromophores responsible for coloring the jovian atmosphere are embedded within Jupiter's vertical aerosol structure. Sunlight propagates through this vertical distribution of aerosol particles, whose colors are defined by omega-bar (sub 0)(lambda), and we remotely observe the culmination of the radiative transfer as I/F(lambda). In this study, we employed a radiative transfer code to retrieve omega-bar (sub 0)(lambda) for particles in Jupiter's tropospheric haze at seven wavelengths in the near-UV and visible regimes. The data consisted of images of the 2008 passage of Oval BA to the south of the Great Red Spot obtained by the Wide Field Planetary Camera 2 on-board the Hubble Space Telescope. We present derived particle colors for locations that were selected from 14 weather regions, which spanned a large range of observed colors. All omega-bar (sub 0)(lambda) curves were absorbing in the blue, and omega-bar (sub 0)(lambda) increased monotonically to approximately unity as wavelength increased. We found accurate fits to all omega-bar (sub 0)(lambda) curves using an empirically derived functional form: omega-bar (sub 0)(lambda) = 1 A exp(-B lambda). The best-fit parameters for the mean omega-bar (sub 0)(lambda) curve were A = 25.4 and B = 0.0149 for lambda in units of nm. We performed a principal component analysis (PCA) on our omega-bar (sub 0)(lambda) results and found that one or two independent chromophores were sufficient to produce the variations in omega-bar (sub 0)(lambda). A PCA of I/F(lambda) for the same jovian locations resulted in principal components (PCs) with roughly the same variances as the omega-bar (sub 0)(lambda) PCA, but they did not result in a one-to-one mapping of PC amplitudes between the omega-bar (sub 0)(lambda) PCA and I/F(lambda) PCA. We suggest that statistical analyses performed on I/ F(lambda) image cubes have limited applicability to the characterization of chromophores in the jovian atmosphere due to the sensitivity of 1/ F(lambda) to horizontal variations in the vertical aerosol distribution.

Strycker, Paul D.↗

The Athena Mars Rover Science Payload

The Mars Surveyor missions that will be launched in April of 2001 will include a highly capable rover that is a successor to the Mars Pathfinder mission's Sojourner rover. The design goals for this rover are a total traverse distance of at least 10 km and a total lifetime of at least one Earth year. The rover's job will be to explore a site in Mars' ancient terrain, searching for materials likely to preserve a record of ancient martian water, climate, and possibly biology. The rover will collect rock and soil samples, and will store them for return to Earth by a subsequent Mars Surveyor mission in 2005. The Athena Mars rover science payload is the suite of scientific instruments and sample collection tools that will be used to perform this job. The specific science objectives that NASA has identified for the '01 rover payload are to: (1) Provide color stereo imaging of martian surface environments, and remotely-sensed point discrimination of mineralogical composition. (2) Determine the elemental and mineralogical composition of martian surface materials. (3) Determine the fine-scale textural properties of these materials. (4) Collect and store samples. The Athena payload has been designed to meet these objectives. The focus of the design is on field operations: making sure the rover can locate, characterize, and collect scientifically important samples in a dusty, dirty, real-world environment. The topography, morphology, and mineralogy of the scene around the rover will be revealed by Pancam/Mini-TES, an integrated imager and IR spectrometer. Pancam views the surface around the rover in stereo and color. It uses two high-resolution cameras that are identical in most respects to the rover's navigation cameras. The detectors are low-power, low-mass active pixel sensors with on-chip 12-bit analog-to-digital conversion. Filters provide 8-12 color spectral bandpasses over the spectral region from 0.4 to 1.1 micron Narrow-angle optics provide an angular resolution of 0.28 mrad/pixel, nearly a factor of four higher than that of the Mars Pathfinder and Mars Surveyor '98 cameras. Image compression will be performed using a wavelet compression algorithm. The Mini-Thermal Emission Spectrometer (Mini-TES) is a point spectrometer operating in -the thermal IR. It produces high spectral resolution (5 /cm) image cubes with a wavelength range of 5-40 gm, a nominal signal/noise ratio of 500:1, and a maximum angular resolution of 7 mrad (7 cm at a distance of 10 in). The wavelength region over which it operates samples the diagnostic fundamental absorption features of rockforming minerals, and also provides some capability to see through dust coatings that could tend to obscure spectral features. The mineralogical information that Mini-TES provides will be used to select from a distance the rocks and soils that will be investigated in more detail and ultimately sampled. Mini-TES is derived from the MO/MGS TES instrument, but is significantly smaller and simpler. The instrument uses an 8-cm Cassegrain telescope, a Michelson interferometer, and uncooled pyroelectric detectors. Along with its mineralogical capabilities, Mini-TES can provide information on the thermophysical properties of rocks and soils. Viewing upward, it can also provide temperature profiles through the martian atmospheric boundary layer. Elemental and Mineralogical Composition: Once promising samples have been identified from a distance using Pancam/Mini-TES, they will be studied in detail using up to three compositional sensors that can be placed directly against them by an Instrument Arm. The two compositional sensors, presently on the payload are an Alpha-Proton-X-Ray Spectrometer (APXS), and a Mossbauer Spectrometer. The APXS is derived closely from the instrument that flew on Mars Pathfinder. Radioactive alpha sources and three detection modes (alpha, proton, and x-ray) provide elemental abundances of rocks and soils to complement and constrain mineralogical data. The Athena APXS will have a revised mechanical design that will cut down significantly on backscattering of alpha particles from martian atmospheric carbon. It will also include a target of known elemental composition that will be used for calibration purposes. The Athena Mossbauer Spectrometer is a diagnostic instrument for the mineralogy and oxidation state of Fe-bearing phases, which are particularly important on Mars. The instrument measures the resonant absorption of gamma rays produced by a Co-57 source to determine splitting of nuclear energy levels in Fe atoms that is related to the electronic environment surrounding them. It has been under development for space flight for many years at the Technical University of Darmstadt. The Mossbauer Spectrometer (and the other arm instruments) will be able to view a small permanent magnet array that will attract magnetic particles in the martian soil. The payload may also include a Raman Spectrometer. If included, the Raman Spectrometer will provide precise identification of major and minor mineral phases. It requires no sample preparation, and is also sensitive to organics. Fine-Scale Texture: The Instrument Arm a also carries a Microscopic Imager that will obtain high-resolution monochromatic images of the same materials for which compositional data will be obtained. Its spatial resolution is 20 micron/pixel over a 1 cm depth of field, and 40 micron/pixel over a 1-cm depth of field. Like Pancam, it uses the same active pixel sensor detectors and electronics as the rover's navigation cameras. The Instrument Arm is a three degree-of-freedom arm that uses designs and components from the Mars Pathfinder and Mars Surveyor '98 projects. Its primary function is instrument positioning. Along with the instruments noted above, it also carries a brush that can be used to remove dust and other loose coatings from rocks. Sample Collection and Storage: Martian rock and soil samples will be collected using a low-power rotary coring drill called the Mini-Corer. An important characteristic of this device is that it can obtain intact samples of rock from up to 5 cm within strong boulders and bedrock, Nominal core dimensions are 8xl7 mm. The Mini-Corer drills a core to the commanded depth in a rock, shears it off, retains it, and extracts it. It can also acquire samples of loose soil, using soil sample cups that are pressed downward into loose material. The Mini-Corer can drill at angles from vertical to 45' off vertical. It has six interchangeable bits for long life. Mechanical damage to the sample during drilling is minimal, and heating is negligible. After acquisition, the sample may be viewed by the arm instruments, and/or placed in one of 104 compartments in the Sample Container. A subset of the acquired samples may be replaced with other samples obtained later if desired. The Sample Container has no moving parts, and is mounted external to the rover for easy removal by the Mars Surveyor 2005 flight system. Operation of the rover will make extensive use of automated onboard navigation and hazard avoidance capabilities. Otherwise, use of onboard autonomy is minimal. Data downlink capability is about 40 Mbit/sol, and the use of the Mars Surveyor '01 orbiter for data relay imposes a limit of at most two command cycles per sol. Because of the significant amount of time available between command cycles, all payload elements will be operated sequentially, rather than in parallel.; this approach also significantly simplifies operations and minimizes peak power usage. The landing site for the '01 rover has not been selected yet. Site selection will make as full use as possible of Mars Global Surveyor data, and will involve substantial input from the broad Mars science community. Summary: The following table describes the mass, power, providers, and key scientific objectives of all the major elements of the Athena payload. Additional Athena payload information may be found at: http://astrosun.tn.cornell.edu/athena/index.html. Additional information contained in the original.

Squyes, S. W.↗

Optimization of distributed compute resources utilization in the CMS Global Pool

The CMS Submission Infrastructure is the primary system for managing computing resources for CMS workflows, including data processing, simulation, and analysis. It integrates geographically distributed resources from Grid, HPC, and cloud providers into federated pools managed by HTCondor and Glidein- WMS, for a total of around 500k CPU cores. This system dynamically manages workloads based on priorities defined by the collaboration. Additionally, CMS scheduling strategies must be flexible to handle multiple concurrent workloads while considering changing processing demands and resource availability from various providers.Efficient utilization of vast amounts of distributed compute resources is a key element for the success of the scientific programs of the LHC experiments. Optimizing the system is essential to maximize resource efficiency and fully utilize the distributed computing power. The CMS Submission Infrastructure team thus systematically investigates sources of inefficiency in workload scheduling to reduce their impact. In addition, a strategy of pilot overloading has been introduced to compensate for other inefficiency sources, thereby optimizing resource utilization and enhancing computational throughput.

Mascheroni, Marco [UC, San Diego (main)]↗

Development of Two Color Fluorescent Imager and Integrated Fluidic System for Nanosatellite Biology Applications

Nanosatellites offer frequent, low-cost space access as secondary payloads on launches of larger conventional satellites. We summarize the payload science and technology of the Microsatellite in-situ Space Technologies (MisST) nanosatellite for conducting automated biological experiments. The payload (two fused 10-cm cubes) includes 1) an integrated fluidics system that maintains organism viability and supports growth and 2) a fixed-focus imager with fluorescence and scattered-light imaging capabilities. The payload monitors temperature, pressure and relative humidity, and actively controls temperature. C. elegans (nematode, 50 m diameter x 1 mm long) was selected as a model organism due to previous space science experience, its completely sequenced genome, size, hardiness, and the variety of strains available. Three strains were chosen: two green GFP-tagged strains and one red tdTomato-tagged strain that label intestinal, nerve, and pharyngeal cells, respectively. The integrated fluidics system includes bioanalytical and reservoir modules. The former consists of four 150 L culture wells and a 4x5 mm imaging zone the latter includes two 8 mL fluid reservoirs for reagent and waste storage. The fluidic system is fabricated using multilayer polymer rapid prototyping: laser cutting, precision machining, die cutting, and pressure-sensitive adhesives it also includes eight solenoid-operated valves and one mini peristaltic pump. Young larval-state (L2) nematodes are loaded in C. elegans Maintenance Media (CeMM) in the bioanalytical module during pre-launch assembly. By the time orbit is established, the worms have grown to sufficient density to be imaged and are fed fresh CeMM. The strains are pumped sequentially into the imaging area, imaged, then pumped into waste. Reagent storage utilizes polymer bags under slight pressure to prevent bubble formation in wells or channels. The optical system images green and red fluorescence bands by excitation with blue (473 nm peak) and amber (587 nm peak) LEDs it achieves 8 m lateral resolution using a CMOS imaging chip (as configured for serial data speeds) or 4 m resolution using USB imaging chips. The imager consists of a modified commercial off-the-shelf CMOS chip camera, amber, blue and white LEDs, as well as a relay lens and dual-band filters to obviate moving parts while supporting both fluorescence wavelengths.

Wu, Diana Terri↗

A three-dimensional view of the thermal structure in a super-penumbral canopy

We investigate the three-dimensional (3D) thermal topology in a super-penumbral canopy of an active region (AR). We derive temperature stratifications in the AR by an inversion of the Ca II IR line at 854.2 nm, assuming local thermal equilibrium. We find that about half of the radially oriented fibrils in the super-penumbral canopy form short, low-lying (h < 1 Mm) loops in the 3D temperature cube. These closed loops connect from bright grains in or close to the penumbra to the photosphere a few Mms away from the sunspot. The other half of the fibrils monotonically rise with distance from the sunspot. Many of the fibrils show a central dark core and two lateral brightenings in line-core intensity images. The corresponding velocity image shows fibrils that are as wide as the fibrils seen in intensity without a lateral substructure. Additionally, we study a feature from a different class of structures without prominent mass flows. Its 3D topology is formed by two parallel, closed loops that connect patches of opposite polarity. We present evidence that the inverse Evershed flow into the sunspot in the lower chromosphere is the consequence of siphon flows along short loops that connect photospheric foot points. The dark-cored structure of the chromospheric fibrils cannot have a convective origin because of their location above regular granulation. The dark core most likely results from an opacity difference between the central axis and the lateral edges caused by the significant flow speed along the fibrils.

79 ASTRONOMY AND ASTROPHYSICS↗

RAVEN User Manual

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by inputs files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused to- ward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN has started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assessment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activates are currently ongoing for coupling RAVEN with soft- ware such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focalizing on the input structure.

97 MATHEMATICS AND COMPUTING↗

Final Report for Project: Impacts of stratification and non-equilibrium winds and waves on hub-height winds

This project used a combination of turbulence-resolving large-eddy simulations, single-column modeling (where turbulence is parameterized), and currently available observations to improve, assess, and develop a parameterization of the impact of non-equilibrium wave states and stratification on the buoy-observed winds to establish reliable wind data at the turbine hub-height level. Analysis of turbulence-resolving simulations and observations illuminates the non-linear coupling between the atmosphere and the undulating sea surface. This analysis guides modification of existing boundary layer parameterizations to include wave influences for upward extrapolation of surface-based observations through the turbine layer. Our surface roughness modifications account for the interaction between stratification and the effects of swell’s amplitude and wavelength as well as swell’s relative motion with respect to the mean wind direction. The single-column version of the open source Weather and Research Forecasting (WRF) model (Skamarock et al., 2008) serves as our platform to test our proposed planetary boundary layer parameterization modifications that account for wave effects on marine atmospheric boundary layer flows. WRF has been widely adopted for wind resource analysis and forecasting. The single column version is particularly suitable to development, analysis, and testing of new boundary layer parameterizations. We utilize WRF’s single-column version to verify and validate our proposed modifications to the Mellor-Yamada-Nakanishi-Niino (MYNN) boundary layer parameterization (Nakanishi and Niino, 2004). We explore the implications of our modifications for two-way coupling between WRF and wave models (e.g.,Wavewatch III). The newly implemented parameterization accounting for marine atmospheric boundary layer-wave coupling is then tested in three-dimensional WRF simulations at grid sizes near 1 km. These simulations identify the behavior of simulated winds at the wind plant scale. Overall project conclusions include; In the presence of fast-moving swell (significant wave height Hs = 6.4 m, and phase speed cp = 18 ms -1 ), the atmospheric boundary layer grows more rapidly when waves propagate opposite to the winds compared to when winds and waves are aligned. Pressure drag increases by nearly a factor of 2 relative to the turbulent stress for the extreme case where waves propagate at 180° compared to the pressure gradient forcing. Net wind speed reduces by nearly 15% at hub-height for the 180°-case compared to the 0°-case, and turbulence intensities increase by nearly a factor of 2. These impacts diminish with decreasing wave age; Stratification increases hub height wind speeds and increases the vertical shear of the mean wind across the rotor plane. Fortuitously, this stability-induced enhanced shear does not influence turbulence intensity at hub height, but does increase (decrease) turbulence intensity below (above) hub height. Increased stability also increases the wave-induced pressure stress by ~ 10%; Off the East Coast of the United States during Coupled Boundary Layers Air-Sea Transfer - Low Wind (CBLAST-Low), cases with short fetch include thin stable boundary layers with depths of only a few tens of meters. In the coastal zone, the relationship between the mean wind and the surface fiction velocity (u*(V )) is significantly related to wind direction for weak winds but is not systematically related to the air sea difference of virtual potential temperature, δθv; since waves generally propagate from the south at the Air-Sea Interaction Tower (ASIT) tower, these results suggest that under weak wind conditions waves likely influence surface stress more than stratification does; and Winds and waves are frequently misaligned in the coastal zone. Stability conditions persist for long duration. Over a four year period, the Forschungsplattformen in Nord- und Ostsee Nr. 1 (FINO1) tower (a site with long fetch) primarily experienced weakly-unstable conditions, while stability at the ASIT tower (with a larger influence of offshore winds) experiences a mix of both unstable and stable conditions, where the summer months are predominantly stable. Wind-wave misalignment likely explains the large scatter in observed non-dimensional surface roughness under swell-dominated conditions. Andreas et al.’s (2012) relationship between u* and the 10-m wind speed under predicts the increased u* produced by wave-induced pressure drag produced by misaligned winds and waves. Incorporating wave-state (speed and direction) influences in parameterizations improves predictive skill. In a broad sense, these results suggest that one needs information on winds, temperature, and wave state to upscale buoy measurements to hub-height and across the rotor plane. Our parameterization of wave-state influences on surface drag has been submitted for inclusion in the next publicly available release. In combination, our project elucidates the impacts of two important physical processes (non-equilibrium wind/waves and stratification) on the atmosphere within which offshore turbines operate. This knowledge should help guide and inform manufacturers making critical decisions surrounding design criteria of future turbines to be deployed in the coastal zone. Reductions in annually averaged hub height wind speed error using our new wave-state-aware surface layer parameterization are relatively modest. However since wind turbine power production depends on the wind speed cubed, the error in estimated power production is close to 5%; which is significant and can substantially impact wind resource assessment and decision making with regards to the viability of particular location for a wind plant location. For a single 30-hour forecast, significant reductions in wind speed prediction errors can yield substantially improved wind power forecast skill, thereby mitigating costs and/or increasing revenue through improved; forecasting for maintenance operations and planning; day-ahead forecasting for power trading and resource allocation; and short-term forecasting for dispatch and grid balancing.

17 WIND ENERGY↗

Quantitative Characterization of Impacts of Coupled Geomechanics and Flow on Safe and Permanent Geological Storage of CO 2 in Fractured Aquifers

This is the final scientific report for the award DE-FE0023305, entitled “Quantitative Characterization of Impacts of Coupled Geomechanics and Flow on Safe and Permanent Geological Storage of CO 2 in Fractured Aquifers.” The work has been divided into six tasks. In Task 2, we characterized rock properties, which are important when developing a quantitative approach for understanding and predicting geomechanical effects on large-scale CO 2 injection and long-term storage in the subsurface. Rock properties of interest for this characterization include porosity, permeability, elastic constants, strength, and heat capacity. We measured rock properties for three different rock types: concrete, sandstone and shale. These properties were obtained from the acoustic measurement, permeability and porosity measurement, Brazilian test, the uniaxial compressive test, and heat capacity measurement. Then, using the Brazilian technique to fracture samples, we measured their permeability under brine injection for varying effective stresses, followed by similar measurements of permeability under sc-CO 2 injection. Permeability to brine and sc-CO 2 decreased as the effective stress increased. The apparent permeability to sc-CO 2 was an order of magnitude less than that for brine, a consequence of CO 2 being the non-wetting fluid. In Task 3, we developed understandings and correlations for CO 2 injection pressure induced fracturing. We initially fractured four eight inch cubes of concrete with brine to establish a standard test procedure. Then, additional concrete samples were fractured using brine. Confining stresses were exerted on the samples and brine was injected at a constant rate into a borehole that was previously drilled into the concrete cube. The borehole pressure was measured and fracture initiation was identified as a peak in the pressure profile. That was followed by fracture propagation, which was identified as a plateau in the pressure profile, and finally the fracture reached the sample surface. The sample surfaces were photographed before and after fracturing, which enabled determination of where the fracture reached the sample surface. Afterwards, aqueous food dye solution was injected into the fractured concrete samples to color the fracture planes. The borehole was filled with food dye solution in advance, a gas pulse was transmitted to the borehole, and the borehole was then shut in to allow the food dye to be driven into existing fractures. Then, the concrete samples were broken down by high-pressure gas injection to reveal the geometry and morphology of the hydraulic fractures. In addition, acoustic measurements were conducted on multiple locations on each face of the concrete samples before and after injection for comparison. This comparison was used to confirm changes in the internal structure of the concrete sample, namely the formation of fractures. There were six concrete samples fractured with brine. Afterwards, concrete samples were fracture using sc-CO 2 . The main change in experimental procedure was the inclusion of temperature control, since in the field, we mostly encounter temperature and pressure conditions above the supercritical point of CO 2 . The concrete samples were pre-heated in an oven to elevate their temperature, and thermal tape was used to heat the CO 2 to a temperature above its supercritical temperature. Two concrete samples were fractured using liquid CO 2 , four concrete samples were fractured using gaseous CO 2 , and twenty two concrete samples were fractured using sc-CO 2 . For the concrete samples fractured using sc-CO 2 , three had pre-existing hydraulic fractures on the surface near the wellbore, and two were water saturated (as opposed to containing only air). Two concrete samples were composite samples, with a high permeability ball in the center, in order to represent CO 2 injection into a high permeability zone surrounded by a low permeability sealing formation. Later, we fractured five shale samples, obtained from the Niobrara shale outcrop, with sc-CO 2 . The injection rate was constant, confining stresses were applied, the shale samples were pre-heated in an oven to the desired temperature, and the sample was then fractured. An analysis of the failure type was done for many of the concrete samples, based on the predicted break down pressure for tensile and shear failure, and it was found that most samples fractured due to shear failure. Also, the presence of induced fractures has little to no effect on the fracture initiation pressure, but significantly changes the fracture morphology. The CO 2 fracturing in water saturated samples behaved much similar to brine induced fracturing. There was a significant difference of breakdown pressure for injection of CO 2 and brine, where the breakdown pressure for CO 2 induced fracturing is generally around the minimum horizontal stress and that for brine is much higher. Finally, the fracture orientation for most samples with large confining stress differential was perpendicular to the minimum horizontal stress. When the stress differential, especially the difference between the two directions with the smallest stresses was small, the fracture orientation was determined not only by the minimum stress direction, but also the magnitude of the confining stress, the tensile strength of the rock, and the breakdown pressure. In Task 4, we modified our coupled flow-geomechanical models to model fracture growth and propagation in storage formations and caprocks. These flow-geomechanical models are TOUGH2-CSM and TOUGH2-FLAC. The TOUGH2-CSM fluid and heat flow formulation is based on the TOUGH2 formulation of mass and energy conservation equations that govern fluid and heat flow in general multiphase, multicomponent, multi-porosity systems. The TOUGH2-CSM simplified geomechanical formulation is based on the linear theory of elasticity applied to multi-porosity non-isothermal (thermo-multi-poroelastic) media. We previously derived, from the fundamental relations of the linear theory of elasticity, an equation relating mean stress, pore pressures, temperatures, and body force (the Mean Stress equation) that we added to the TOUGH2-CSM fluid and heat flow equations. We extended the TOUGH2-CSM simplified geomechanical formulation to calculate the entire stress tensor by deriving equations for stress tensor components from derivatives of the Cartesian thermo-multi-poroelastic Navier equation components. In addition, we derived equations for stress tensor components in rz-coordinates. We solved these geomechanical equations using the integral finite difference method. This method utilizes momentum fluxes obtained by “factoring” a divergence operator out of each geomechanical equation. In Task 5, we did a literature survey to determine suitable correlations for fracture initiation, growth, and propagation. After surveying numerous papers, we modified TOUGH2-CSM to model stress dependent fracture initiation and growth using the Mohr-Coulomb criterion for shear failure in faults and caprock and the condition of negative minimum effective stress for tensile failure. Tensile failure results in a fracture whose width depends on the difference between fracture pressure and minimum stress and whose propagation is based on the difference between the stress intensity factor at the fracture tip and the rock toughness. The TOUGH-FLAC model is based on the FLAC3D ubiquitous joint model, extended for the modeling of permeability changes induced by changes in effective normal stress across fractures as well permeability changes caused by shearing along fractures. In Task 6, we validated our coupled flow-geomechanical models using analytical solutions and problems from the literature. We validated the TOUGH2-CSM modifications using analytical solutions to the displacement from a uniform load on a semi-infinite elastic medium and the two-dimensional Mandel-Cryer effect. Those were followed by a sample problem to test our stress tensor calculations, which was for injection into a single-phase reservoir with constant properties. Comparisons of our simulator to published results were done on for the depletion of a single-phase reservoir with stress dependent porosity, two examples from the In Salah gas project, an axisymmetric baserock–reservoir–caprock system with a normal faulting stress regime that had thermally induced shear stresses, simulations of CO 2 leakage through caprock in a two-dimensional reservoir in Cartesian coordinates, and predictions of caprock failure from CO 2 injection into an axisymmetric reservoir. Finally, we simulated CO 2 injection pressure-induced fracturing from one of our laboratory studies, Sample 39, and obtained a fracture profile. We also validated the TOUGH2-FLAC model for fluid driven fracture growth against solutions based on the KGD model and a case with an inclined fracture that was loaded from the boundaries to achieve wing-crack propagation. The strain softening tensile behavior and softening of modulus considering a simple damage approach was verified by a simulation representing hydraulic fracturing stress measurement around a vertical well. Finally, the model was validated against deep fracture zone opening and surface uplift at In Salah with inverses analysis used to improve the match of simulation with field data. In Task 7, we developed a scheme based on inverse modeling that can be used to identify caprock leakage. Injection of fluid into a reservoir results in a time varying pressure profile that depends on the properties of the rock and the fluid. The presence of significant caprock leakage would effect this pressure profile and we used inverse modeling, namely the Levenberg-Marquardt method, to determine the leakage location from the pressure profile. A two-dimensional and a three-dimensional example based on published data were presented. The published simulation was run and its results were considered as “field” data. In the two-dimensional example, a simulation of CO 2 injection into a two-dimensional aquifer-caprock system, the caprock had a vertical fault through which leakage could occur. The location of this leakage was obtained from our inverse modeling scheme. In the three-dimensional example, the simulation domain had four geological layers, one of which was the injection zone that contained a horizontal injection well. We simulated fractures as high permeability gridblocks, introduced a fracture that spanned the caprock depth, and ran a simulation to obtain “field” data. Then, using our inverse modeling scheme, we obtained the location of that fracture.

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