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69 records · Page 4

Rain retrieval from dual-frequency radar Doppler spectra: validation and potential for a midlatitude precipitating case-study

A recently developed technique retrieving the binned raindrop size distributions (DSDs) and air state parameters from ground-based K a and W-band radars Doppler spectra profiles is improved and applied to a typical midlatitude rain event. The retrievals are thoroughly validated against DSD observations of a 2D video disdrometer and independent X-band observations. Here for this case-study, profiles of rain rate, R, mean volume diameter and concentration parameter are retrieved, with low bias and standard deviations. In light rain (0.1 < R < 1 mm h -1 ), the radar reflectivities must be calibrated with a collocated disdrometer which introduces random errors due to sampling mismatch between the two instruments. The best performances are obtained in moderate rain (1 < R < 20 mm h -1 ) where the retrieval is providing self-consistent estimates of the absolute calibration and of the attenuation caused by antenna or radome wetness for both radars.

54 ENVIRONMENTAL SCIENCES↗

Vertical air motion retrievals in deep convective clouds using the ARM scanning radar network in Oklahoma during MC3E

The US Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program's Southern Great Plains (SGP) site includes a heterogeneous distributed scanning Doppler radar network suitable for collecting coordinated Doppler velocity measurements in deep convective clouds. The surrounding National Weather Service (NWS) Next Generation Weather Surveillance Radar 1988 Doppler (NEXRAD WSR-88D) further supplements this network. Radar velocity measurements are assimilated in a three-dimensional variational (3DVAR) algorithm that retrieves horizontal and vertical air motions over a large analysis domain (100 km × 100 km) at storm-scale resolutions (250 m). For the first time, direct evaluation of retrieved vertical air velocities with those from collocated 915 MHz radar wind profilers is performed. Mean absolute and root-mean-square differences between the two sources are of the order of 1 and 2 m s -1 , respectively, and time–height correlations are of the order of 0.5. An empirical sensitivity analysis is done to determine a range of 3DVAR constraint weights that adequately satisfy the velocity observations and anelastic mass continuity. It is shown that the vertical velocity spread over this range is of the order of 1 m s -1 . The 3DVAR retrievals are also compared to those obtained from an iterative upwards integration technique. Lastly, the results suggest that the 3DVAR technique provides a robust, stable solution for cases in which integration techniques have difficulty satisfying velocity observations and mass continuity simultaneously.

54 ENVIRONMENTAL SCIENCES↗

A new technique to retrieve aerosol vertical profiles using micropulse lidar and ground-based aerosol measurements

Accurately characterizing the vertical distribution of aerosols and their cloud-forming properties is crucial for understanding aerosol-cloud interactions and their impact on climate. This study presents a novel technique for retrieving vertical profiles of aerosols, cloud condensation nuclei (CCN), and ice nucleating particles (INP) by combining micropulse lidar, radiosonde, and ground-based aerosol measurements. Herein, the technique is applied to data collected by our team at Texas A&M University during the Tracking Aerosol Convection Interactions ExpeRiment (TRACER) campaign. Ground-based aerosol size distribution and CCN counter data are used to estimate the value of the aerosol hygroscopicity parameter, κ. The derived κ, together with Mie scattering theory and the relative humidity profile from the radiosonde, is used to estimate aerosol size growth and the associated increase in backscatter at each altitude. We then correct the lidar backscatter to dry conditions to produce the dry aerosol backscatter coefficient profile. The dry aerosol backscatter coefficient profile is linearly scaled to collocated surface measurements of aerosols, CCN, and INP to produce corresponding vertical profiles. Combining lidar backscatter profiles with aerosol and cloud nucleation measurements leads to a more realistic representation of vertical distributions of aerosol properties. The method could be readily applied to lidar measurements in future field campaigns.

Chen, Bo [Texas A & M Univ., College Station, TX (↗

Informal Preliminary Report on Comparisons of Prototype SPN-1 Radiometer to PARSL Measurements

The prototype SPN-1 has been taking measurements for several months collocated with our PNNL Atmospheric Remote Sensing Laboratory (PARSL) solar tracker mounted instruments at the Pacific Northwest National Laboratory (PNNL) located in Richland, Washington, USA. The PARSL radiometers used in the following comparisons consist of an Eppley Normal Incident Pyrheliometer (NIP) and a shaded Eppley model 8-48 “Black and White” pyrgeometer (B&W) to measure the direct and diffuse shortwave irradiance (SW), respectively. These instruments were calibrated in mid-September by comparison to an absolute cavity radiometer directly traceable to the world standard group in Davos, Switzerland. The NIP calibration was determined by direct comparison, while the B&W was calibrated using the shade/unshade technique. All PARSL data prior to mid-September have been reprocessed using the new calibration factors. The PARSL data are logged as 1-minute averages from 1-second samples. Data used in this report span the time period from June 22 through December 1, 2006. All data have been processed through the QCRad code (Long and Shi, 2006), which itself is a more elaborately developed methodology along the lines of that applied by the Baseline Surface Radiation Network (BSRN) Archive (Long and Dutton, 2004), for quality control. The SPN-1 data are the standard total and diffuse SW values obtained from the analog data port of the instrument. The comparisons use only times when both the PARSL and SPN-1 data passed all QC testing. The data were further processed and analyzed by application of the SW Flux Analysis methodology (Long and Ackerman, 2000; Long and Gaustad, 2004, Long et al., 2006) to detect periods of clear skies, calculate continuous estimates of clear-sky SW irradiance and the effect of clouds on the downwelling SW, and estimate fractional sky cover.

Long, Charles N.↗

Wind and Temperature Consensus at Horn Point, HU-Beltsville, Piney Run (Maryland) in support of CoURAGE

The Maryland Department of the Environment (MDE) operates a ground-based atmospheric profiling network consisting of collocated radar wind profilers (RWP) and radio acoustic sounding systems (RASS) as part of its Ambient Air Monitoring Program. This network provides continuous observations of wind and temperature structure in the lower troposphere to support air quality forecasting, regulatory analysis, and atmospheric research. The network currently includes three fixed sites across Maryland: Horn Point (HP, lower eastern shore) [38.587525°,-76.141006°], Howard University-Beltsville (HUB, central Maryland) [39.055277°, -76.878632°], and Piney Run (PR, western Maryland) [39.705950°, -79.012000°] The network is designed to capture regional variability in atmospheric transport and boundary-layer processes. These systems measure vertical profiles of horizontal wind speed and direction using Doppler radar techniques, with observations typically spanning from ~100 m above ground level up to approximately 2.5–4 km. Measurements are derived from the Doppler shift of backscattered electromagnetic signals, enabling retrieval of wind vectors at multiple altitudes with high temporal resolution (e.g., 30-minute averages reported every 6 minutes). Each radar wind profiler is paired with a Radio Acoustic Sounding System (RASS) to provide profiles of virtual temperature in the lower atmosphere (~100–200 m AGL) by measuring the propagation speed of acoustic waves. Together, the RWP/RASS system yields a coupled data set of thermodynamic and kinematic atmospheric structure, including additional parameters such as vertical velocity, radial velocity, signal-to-noise ratio, and spectral width for advanced analysis. There are two types of files for each station: wind data (files with a "w" prefix) and virtual temperature RASS data (files with a "t" prefix). The wind data files are in the format wYYDDD.cns, where YY is the 2-digit year and DDD is the day of the year. The RASS virtual temperature data files are in the format tYYDDD.cns. Each record has the following header structure: Line 1 : Station Name RASS files Line 2 : RASS rev DeTect_2.0, WINDS files Line 2 : WINDS rev ATI 5.1 Line 3 : N latitude, W longitude, and site elevation (m) Line 4 : Date and begin time of consensus: yy mm dd hh mn ss plus # minutes to add to get UTC Line 5 : Consensus averaging time (minutes); number of beams; number of range gates Line 6 : Number of records required to make consensus (num) total number of records (tot) and the consensus window size (m/s) in the format: num:tot (window) RASS files Line 7 : no. of coded cells, no. of spec, pulse width (ns), and inter-pulse period (µs), WINDS files Line 7 : No. of coded cells, no. of spectra, pulse width (ns), and inter-pulse period (µs), each with a pair of values: first value is for oblique beams, second for vertical RASS files Line 8 : Full scale Doppler value (m/s) Delay to first gate (ns) Number of gates Spacing of gates (ns), WINDS files Line 8 : Full scale Doppler velocity (m/s), oblique and vertical Vertical correction applied to oblique beams? (0 = no, 1 = yes) Delay to first gate (ns), oblique and vertical Number of gates, oblique and vertical Spacing of gates (ns), oblique and vertical Line 9 : Azimuth and elevation (9s indicate vertical beam not used) RASS files Line 10, values : HT = Height above ground (km), T = Uncorrected virtual temperature consensus (deg C), Tc = Corrected virtual temperature consensus (deg C), W = Vertical wind consensus (9s indicate vertical beam not used, w-component, positive upward, m/s), CNT = Number of records that made consensus (for the 3 values in same order), SNR = Average signal to noise ratio (dB) of records in consensus (same order) WINDS files Line 10, values : HT = Height above ground (km), SPD = Wind speed (m/s), DIR = Wind direction (deg E of N from N), RAD = Radial velocities for each beam (m/s) in order given in azimuth and elevation line (positive toward radar; 9s indicate vertical beam not used, CNT = Number of records that made consensus, SNR = Average signal to noise ratio (dB) of records in consensus

{"wind speed and direction",temperature}↗

Multimodal quantification of degradation pathways during extreme fast charging of lithium-ion batteries

Enabling fast charging of Li-ion batteries will be a key step towards realizing the technology's full potential in electric vehicles. Currently, fast charging is limited by a variety of processes that reduce cell capacity upon extended cycling. Using a multimodal approach combining incremental capacity analysis (dQ/dV), high energy X-ray diffraction (HEXRD), and mass spectrometry titration (MST), we identify specific degradation mechanisms—including Li plating, dead Li x C 6 formation, Li 2 C 2 formation, solid carbonate solid-electrolyte interphase (SEI) deposition, and loss of positive electrode active material (LAM PE )—that occur during extended fast charge cycling. We find that Li plating is the major source of capacity loss in cells cycled at 6C, while non-carbonate SEI species deposition on the graphite anode is the main source of capacity loss when cycled at 4C. We also study local degradative phenomena by examining specific ~1–5 cm 2 regions of the cells using HEXRD and MST. Here, we find that plated Li is often collocated with dead Li x C 6 , Li 2 C 2 , and solid carbonate SEI species, and these additional species cumulatively account for ~20% of the capacity lost during 6C cycling. Finally, in a cell with an anomalously high amount of LAM PE (quantified via dQ/dV), we find that regions of cathode degradation were accompanied by non-carbonate SEI products on the adjacent region of the anode. We postulate that this phenomenon arises due to crosstalk between the electrodes, wherein soluble electrolyte oxidation products formed at the delithiated cathode migrate to the graphite anode and are ultimately deposited on the graphite surface. This work demonstrates the utility of combining multiple characterization techniques to reveal a more holistic understanding of degradative phenomena that occur across multiple length scales during fast charge.

25 ENERGY STORAGE↗

Performance Demonstration of Self-Powered Neutron Detectors for Steady-State Reactor Operations

The irradiation testing of sensors in reactors is a crucial step towards calibrating and qualifying sensors prior to their deployment in experiments. This report details the process toward qualifying and calibrating custom-designed rhodium-based self-power neutron detectors (Rh-SPNDs) for steady-state reactor irradiations. This process serves to both demonstrate the performance capabilities of Rh-SPNDs as well as to provide experimental data for development of a sensor sensitivity model. Two designs of Rh-SPNDs were tested in various reactors to demonstrate: detection resolution in a low neutron flux environment, a delayed-response compensation technique, output linearity in a large range of neutron flux, and measurement accuracy verified with dosimetry. The detection resolution and compensation technique was demonstrated in the AGN-201m reactor at Idaho State University. The irradiation confirmed the sensors’ capability to perform steady-state operations in a low neutron flux of ~2E8 n/cm 2 -sec. Sensor output linearity coupled with the delayed-response compensation was investigated at the neutron radiography reactor at Idaho National Laboratory. A Rh-SPND was irradiated to neutron fluxes ranging from 2E8 to 2E13 n/cm2-sec range. The measured data demonstrated a wide and linear range of operation with a measured linear sensitivity of 1.0129 ×10 -13 A/W with a correlation-squared value of r 2 =0.9927. The measurement accuracy was investigated at the Advanced Test Reactor Critical reactor. The SPNDs were inserted into a test vehicle with collocated flux wires. Two irradiations with different flux levels were performed, and the SPNDs relative measurement between the two irradiations was calculated to be 1.2613 ± 0.0153 for the small SPND design and 1.1809 ± 0.0108 for the large SPND design. Both SPND measurements fell between the co-axial dosimetry result, which reported 1.218 ± 0.047. Additionally, the preliminary MCNP model for calculating SPND sensitivity was developed in parallel to this work. Modeled neutron spectrum with measured magnitude was used for inputs to determine the simulated SPND output. The results showed an overestimation of signal strength by a factor of 5, which was expected because of model simplification. This leads to future modeling work to account for signal losses from additional physical properties, including high temperature environments for FY-21.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development of a Full-Scale Connected U-Net for Reflectivity Inpainting in Spaceborne Radar Blind Zones

CloudSat’s Cloud Profiling Radar is a valuable tool for remotely monitoring high-latitude snowfall, but its ability to observe hydrometeor activity near the Earth’s surface is limited by a radar blind zone caused by ground clutter contamination. This study presents the development of a deeply supervised U-Net-style convolutional neural network to predict cold season reflectivity profiles within the blind zone at two Arctic locations. The network learns to predict the presence and intensity of near-surface hydrometeors by coupling latent features encoded in blind zone-aloft clouds with additional context from collocated atmospheric state variables (i.e., temperature, specific humidity, and wind speed). Results show that the U-Net predictions outperform traditional linear extrapolation methods, with low mean absolute error, a 38% higher Sørensen–Dice coefficient, and vertical reflectivity distributions 60% closer to observed values. The U-Net is also able to detect the presence of near-surface cloud with a critical success index (CSI) of 72% and cases of shallow cumuliform snowfall and virga with 18% higher CSI values compared to linear methods. An explainability analysis shows that reflectivity information throughout the scene, especially at cloud edges and at the 1.2-km blind zone threshold, along with atmospheric state variables near the tropopause, are the most significant contributors to model skill. This surface-trained generative inpainting technique has the potential to enhance current and future remote sensing precipitation missions by providing a better understanding of the nonlinear relationship between blind zone reflectivity values and the surrounding atmospheric state.

54 ENVIRONMENTAL SCIENCES↗

Discovering Blind Geothermal Systems in the Great Basin Region: An Integrated Geologic and Geophysical Approach for Establishing Geothermal Play Fairways: All Phases

Most geothermal resources in the Great Basin region of the western USA are blind, and thus the discovery of new commercial-grade systems requires synthesis of favorable characteristics for geothermal activity. The geothermal play fairway concept involves integration of multiple parameters indicative of geothermal activity to identify promising areas for new development. This project integrated multiple datasets to apply the play fairway concept and assess geothermal potential in a large region of the Great Basin in Nevada. It is therefore referred to as the Nevada play fairway project. This project was a strong collaborative effort between several organizations, led by the Nevada Bureau of Mines and Geology at the University of Nevada, Reno, but with key support from the U.S. Geological Survey, ATLAS Geosciences, Inc,, Hi-Q Geophysical, Inc., Lawrence Berkeley National Laboratory, Utah Geological Survey, and Innovative Geothermal Ltd. In Budget Period 1 of this project, available data for nine geologic, geochemical, and geophysical parameters were initially synthesized to produce a new detailed geothermal potential map of 96,000 km2 from west-central to eastern Nevada. These parameters were grouped into subsets and individually weighted to delineate rankings for local permeability, intermediate permeability, regional permeability, and thermal potential, which collectively defined geothermal play fairways (i.e., most likely locations for significant geothermal fluid flow). This initial work was aimed at reducing the risks in regional exploration and therefore facilitating discovery of new commercial-grade systems in blind settings, as well as in areas with surface expressions of geothermal activity. Budget Period 2 of the project involved detailed analysis of some of the most promising areas identified in Phase 1. Twenty-four highly prospective areas, including both known undeveloped systems and previously undiscovered potential blind systems, were identified for further analysis. After reconnaissance of these areas, five of the most promising sites were selected for detailed studies. Multiple techniques were employed in the detailed studies, including geologic mapping, shallow temperature surveys, gravity surveys, Lidar, geochemical studies, seismic reflection analysis, and 3D modeling. The goal of the detailed studies was to identify specific areas with the highest likelihood for high permeability and thermal fluids, such that drill sites could be targeted. Three main sets of predictive maps were generated for each detailed study area: 1) play fairway maps, 2) play fairway error maps, and 3) direct evidence maps. Local- and intermediate-scale permeability models were revised to reflect results of the detailed geologic, geophysical, and geochemical analyses. Budget Period 3 of the project involved more detailed geophysical analyses and temperature-gradient (TG) drilling in southeastern Gabbs Valley and northern Granite Springs Valley, deemed the two most promising sites, with the goal of providing preliminary validation of the play fairway methodology. In southeastern Gabbs Valley, the collocation of a favorable structural setting (displacement transfer zone and fault intersections), Quaternary faults, intersecting and terminating gravity gradients, magnetic low, shallow (2 m) temperature anomaly, low resistivity anomaly, and promising geothermometry from nearby water wells provided evidence for a blind system. Drilling of six TG holes defines an apparent geothermal system at this locality with temperatures as high as 124°C at 152 m. This system is blind, with no surface hot springs, fumaroles, or paleo-geothermal deposits. For northern Granite Springs Valley, a favorable structural setting (termination of a major Quaternary normal fault), terminating gravity gradient, magnetic gradient, newly discovered sinter deposits, nearby warm water wells, previously drilled TG holes in the vicinity, and promising geothermometry suggest a hidden system. Drilling of six new TG holes yields temperatures of ~96°C at ~250 m, suggesting the presence of a geothermal system. Major lessons learned in the course of this project include: 1) initially identified sites commonly include multiple favorable structural settings at a finer scale; 2) promising sites in Cenozoic basins cannot be recognized without detailed geophysical surveys; and 3) play fairway analysis should be refined as the exploration program vectors into the most promising sites and finer-scale data are acquired. In addition to producing copious amounts of data, this project resulted in 16 published papers, 10 abstracts, more than 40 presentations across the U.S. and abroad (including several keynote addresses), 2 Masters theses, and 7 media reports.

15 GEOTHERMAL ENERGY↗

Eddy Correlation Flux Measurement System (ECOR) Instrument Handbook

The eddy correlation (ECOR) flux measurement system provides in situ, half-hour measurements of the surface turbulent fluxes of momentum, sensible heat, latent heat, and carbon dioxide (CO 2 ) (and methane at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s North Slope of Alaska central facility [NSA Barrow], and at the ARM Mobile Facility (AMF) deployment at Oliktok Point). The fluxes are obtained with the eddy covariance technique, which involves correlation of the vertical wind component with the horizontal wind component, the air temperature, the water vapor density, and the CO 2 concentration. The instruments used are: a fast-response, three-dimensional (3D) wind sensor (sonic anemometer) to obtain the orthogonal wind components and the speed of sound (SOS) (used to derive the air temperature), an open-path infrared gas analyzer (IRGA) to obtain the water vapor density and the CO 2 concentration, and an open-path infrared gas analyzer (IRGA) to obtain methane density and methane flux at NSA Barrow and at the AMF deployment at Oliktok Point. The ECOR systems are deployed at the locations where other methods for surface flux measurements (e.g., energy balance Bowen ratio [EBBR] systems) are difficult to employ, primarily at the north edge of a field of crops. A surface energy balance system (SEBS) has been installed collocated with each deployed ECOR system in SGP, NSA, Tropical Western Pacific (TWP), and each of three ARM Mobile Facilities. The surface energy balance system consists of upwelling and downwelling solar and infrared radiometers within one net radiometer, a wetness sensor, and soil measurements. Finally, the SEBS measurements allow the comparison of ECOR sensible and latent heat fluxes with the energy balance determined from the SEBS and provide information on wetting of the sensors for data quality purposes.

47 OTHER INSTRUMENTATION↗

Fluid simulations with atomistic resolution: a hybrid multiscale method with field-wise coupling

We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour, in particular, systems in which a Navier–Stokes model may not be valid in parts of the computational domain. We apply molecular dynamics as a local microscopic refinement for correcting the Navier–Stokes constitutive approximation in the bulk of the domain, as well as providing a direct measurement of velocity slip at bounding surfaces. Our hybrid approach differs from existing techniques, such as the heterogeneous multiscale method (HMM), in some fundamental respects. In our method, the individual molecular solvers, which provide information to the macro model, are not coupled with the continuum grid at nodes (i.e. point-wise coupling), instead coupling occurs over distributed heterogeneous fields (here referred to as field-wise coupling). This affords two major advantages. Whereas point-wise coupled HMM is limited to regions of flow that are highly scale-separated in all spatial directions (i.e. where the state of non-equilibrium in the fluid can be adequately described by a single strain tensor and temperature gradient vector), our field-wise coupled HMM has no such limitations and so can be applied to flows with arbitrarily-varying degrees of scale separation (e.g. flow from a large reservoir into a nano-channel). The second major advantage is that the position of molecular elements does not need to be collocated with nodes of the continuum grid, which means that the resolution of the microscopic correction can be adjusted independently of the resolution of the continuum model. This in turn means the computational cost and accuracy of the molecular correction can be independently controlled and optimised. The macroscopic constraints on the individual molecular solvers are artificial body-force distributions, used in conjunction with standard periodicity. We test our hybrid method on the Poiseuille flow problem for both Newtonian (Lennard-Jones) and non-Newtonian (FENE) fluids. The multiscale results are validated with expensive full-scale molecular dynamics simulations of the same case. Very close agreement is obtained for all cases, with as few as two micro elements required to accurately capture both the Newtonian and non-Newtonian flowfields. Our multiscale method converges very quickly (within 3–4 iterations) and is an order of magnitude more computationally efficient than the full-scale simulation.

97 MATHEMATICS AND COMPUTING↗

Shortwave Array Spectroradiometer-Hemispheric (SAS-He): design and evaluation

A novel ground-based radiometer, referred to as the Shortwave Array Spectroradiometer-Hemispheric (SAS-He), is introduced. This radiometer uses the shadow-band technique to report total irradiance and its direct and diffuse components frequently (every 30 s) with continuous spectral coverage (350–1700 nm) and moderate spectral (~2.5 nm ultraviolet–visible and ~6 nm shortwave-infrared) resolution. The SAS-He's performance is evaluated using integrated datasets collected over coastal regions during three field campaigns supported by the US Department of Energy's Atmospheric Radiation Measurement (ARM) program, namely the (1) Two-Column Aerosol Project (TCAP; Cape Cod, Massachusetts), (2) Tracking Aerosol Convection Interactions Experiment (TRACER; in and around Houston, Texas), and (3) Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE; La Jolla, California). We compare (i) aerosol optical depth (AOD) and total optical depth (TOD) derived from the direct irradiance, as well as (ii) the diffuse irradiance and direct-to-diffuse ratio (DDR) calculated from two components of the total irradiance. As part of the evaluation, both AOD and TOD derived from the SAS-He direct irradiance are compared to those provided by a collocated Cimel sunphotometer (CSPHOT) at five (380, 440, 500, 675, 870 nm) and two (1020, 1640 nm) wavelengths, respectively. Additionally, the SAS-He diffuse irradiance and DDR are contrasted with their counterparts offered by a collocated multifilter rotating shadowband radiometer (MFRSR) at six (415, 500, 615, 675, 870, 1625 nm) wavelengths. Overall, reasonable agreement is demonstrated between the compared products despite the challenging observational conditions associated with varying aerosol loadings and diverse types of aerosols and clouds. For example, the AOD- and TOD-related values of root mean square error remain within 0.021 at 380, 440, 500, 675, 870, 1020, and 1640 nm wavelengths during the three field campaigns.

47 OTHER INSTRUMENTATION↗

Standoff Infrared Measurements of Chemical Plume Dynamics in Complex Terrain Using a Combination of Active Swept-ECQCL Laser Spectroscopy with Passive Hyperspectral Imaging

Chemical plume detection and modeling in complex terrain present numerous challenges. We present experimental results from outdoor releases of two chemical tracers (sulfur hexafluoride and Freon-152a) from different locations in mountainous terrain. Chemical plumes were detected using two standoff instruments collocated at a distance of 1.5 km from the plume releases. A passive long-wave infrared hyperspectral imaging system was used to show time- and space-resolved plume transport in regions near the source. An active infrared swept-wavelength external cavity quantum cascade laser system was used in a standoff configuration to measure quantitative chemical column densities with high time resolution and high sensitivity along a single measurement path. Both instruments provided chemical-specific detection of the plumes and provided complementary information over different temporal and spatial scales. The results show highly variable plume propagation dynamics near the release points, strongly dependent on the local topography and winds. Effects of plume stagnation, plume splitting, and plume mixing were all observed and are explained based on local topographic and wind conditions. Measured plume column densities at distances ~100 m from the release point show temporal fluctuations over ~1 s time scales and spatial variations over ~1 m length scales. The results highlight the need for high-speed and spatially resolved measurement techniques to provide validation data at the relevant spatial and temporal scales required for high-fidelity terrain-aware microscale plume propagation models.

47 OTHER INSTRUMENTATION↗

Prototyping and Testing a New Volumetric Curvature Tool for Modeling Reservoir Compartments and Leakage Pathways in the Arbuckle Saline Aquifer: Reducing Uncertainty in CO 2 Storage and Permanence

This DOE-funded project evaluates the utility of seismic volumetric curvature (VC) for predicting stratal and structural architecture diagnostic of paleokarst reservoirs. Of special interest are applications geared toward carbon capture, utilization, and storage (CCUS). VC has been championed for identifying faults (offset <¼ λ) that cannot be imaged by conventional 3-D seismic attributes such as coherence. The objective of this research was to evaluate VC-techniques for reducing uncertainties in reservoir compartmentalization studies and seal risk assessments especially for saline aquifers. A 2000-ft horizontal lateral was purposefully drilled across VC-imaged lineaments—interpreted to record a fractured and a fault-bounded doline—to physically confirm their presence. The 15-mi² study area is located in southeastern Bemis-Shutts Field, which is situated along the crest of the Central Kansas Uplift (CKU) in Ellis County, Kansas. The uppermost Arbuckle (200+ ft) has extensive paleokarst including collapsed paleocaverns and dolines related to exceedingly prolonged pre-Simpson (Sauk–Tippecanoe) and/or pre-Pennsylvanian subaerial exposure. A lateral borehole was successfully drilled across the full extent (~1100 ft) of a VC-inferred paleokarst doline. Triple combo (GR-neutron/density-resistivity), full-wave sonic, and borehole micro-imager logs were successfully run to TD on drill-pipe. Results from the formation evaluation reveal breccias (e.g., crackle, mosaic, chaotic), fractures, faults, vugs (1-6"), and unaffected host strata consistent with the pre-spud interpretation. Well-rounded pebbles were also observed on the image log. VC-inferred lineaments coincide with 20–80-ft wide intervals of high GR values (100+ API), matrix-rich breccias, and faults. To further demonstrate their utility, VC attributes are integrated into a geocellular modeling workflow: 1) to constrain the structural model; 2) to generate facies probability grids, and; 3) to collocate petrophysical models to separate-vug rock fabrics along solution-enlarged fault and fracture systems. Simulation-based studies demonstrate a potential alternative field development model for developing CO 2 storage sites that target carbonate reservoirs overprinted by paleokarst. Simulation results for this complex reservoir indicate that individual fault blocks could function as discrete containers for CO 2 storage thereby reducing the risk of plume migration outside the legally defined extent of the permitted storage site. Vertically extensive, anastomosing, solution-enlarged fault/fracture systems — infilled by clay-rich sediments — would operate as non-to-low permeability vertical "curtains" that restrict CO 2 movement beyond the confines of the CO 2 storage site. Such a location could be developed in a checker-board fashion with CO 2 injection operations occurring in one block and surveillance operations occurring in the adjacent block. Such naturally partitioned reservoirs may be ideal candidates for reducing risks associated with CO 2 plume breakthrough.

02 PETROLEUM↗

Quantifying the Uncertainty in Deterministic Phonon Transport Calculations of Thermal Conductivity using Polynomial Chaos Expansions

The nature of computational simulations requires the inclusion of an uncertainty analysis, as we have limited knowledge of all physically determined input parameters for a computationally simulated problem. We rely on uncertainty quantification (UQ) to characterize our confidence in the outcomes. Quantifying uncertainty can provide a basis for certifications in high-consequence decisions, such as nuclear reactor design, and is a fundamental component of model validation. We employ a previously developed method of uncertainty quantification, polynomial chaos expansion with stochastic collocation (PCE-SC), applied to deterministic phonon transport simulations. In these simulations, we use the neutron transport code Rattlesnake, which solves the Self-Adjoint Angular Flux (SAAF) formulation of the transport equation with a continuous finite element (CFEM) spatial discretization and discrete ordinates, spherical harmonics angular discretizations. Rattlesnake was developed in the multi-physics object oriented simulation environment (MOOSE) framework. We have previously shown Rattlesnake to be effective in simulating phonon transport. We aim to provide a deterministic phonon transport framework for heterogeneous nuclear fuel with fission product defects to predict thermal conductivity (?). A first principles, physics-based calculation of thermal conductivity must involve factors such as the microstructure of nuclear fuel, which constantly changes during the fission process through the formation of isotopic decay products. Heat transport in oxide nuclear fuels is dominated by phonon transport. Impurities in the bulk material influence the transport of energy at the fundamental level, altering the scattering behavior of phonons and electrons. Conventionally, heat transport follows classical physics based on the heat equation derived from Fourier's law q = -k∇T, where q is heat flux, k is thermal conductivity and ∇T is a temperature gradient. However, Fourier's law is a macroscopic empirical law in which the thermal conductivity? does not have a mechanistic connection to the underpinning heat transport processes. Thermal conductivity of a material depends both on the material's intrinsic ability to transport heat and a variety of resistive effects caused by defects in the material. Thus ab initio prediction of the macroscopic conductivity - the property of interest for safe reactor operation - requires simulating detailed processes of heat transport, and then determining the effective thermal conductivity of the simulated material from the resulting heat flux under the imposed temperature difference. The thermal conductivity of a bulk, homogeneous, dielectric material can be well estimated by the mechanistically derived expression: k{sub bulk} = 1/3 C{sub ν}νgλ (2), where C{sub ν}, νg, and λ are the volumetric specific heat, phonon speed, and phonon mean free path, respectively. In these problems the relevant parameter is the material's acoustic thickness, its characteristic distance L relative to the phonon mean free path λ. In Eq. (2) the largest source of uncertainty is λ. While propagating uncertainty in λ to uncertainty in k through Eq. (2) is trivial, systems with extrinsic scattering require more sophisticated approaches. At the microscopic level, uncertainty in λ changes both a material's intrinsic thermal conductivity. Our goal is to propagate the uncertainty in λ through the deterministic transport computation of k. Because there are a small number of uncertain input quantities, we use the method of polynomial chaos expansion (PCE), which expresses solutions in the form of spectral expansions of an uncertain variable. This approach combines both intrusive and nonintrusive methods of uncertainty propagation techniques and results in a unique formulation which is very effective and efficient for problems with few uncertain parameters. Uncertainty Quantification and Sensitivity Analysis We use PCE-SC to measure propagation of uncertainty in a 3-D phonon transport problem of homogeneous silicon, to compute the mean and variance in temperature, heat flux and thermal conductivity. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗