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Optimizing the Four-Index Integral Transform Using Data Movement Lower Bounds Analysis

The four-index integral transform is a fundamental and computationally demanding calculation used in many computational chemistry suites such as NWChem. It transforms a four-dimensional tensor from an atomic basis to a molecular basis. This transformation is most efficiently implemented as a sequence of four tensor contractions that each contract a four-dimensional tensor with a two-dimensional transformation matrix. Differing degrees of permutation symmetry in the intermediate and final tensors in the sequence of contractions cause intermediate tensors to be much larger than the final tensor and limit the number of electronic states in the modeled systems. Loop fusion, in conjunction with tiling, can be very effective in reducing the total space requirement, as well as data movement. However, the large number of possible choices for loop fusion and tiling, and data/computation distribution across a parallel system, make it challenging to develop an optimized parallel implementation for the four-index integral transform. We develop a novel approach to address this problem, using lower bounds modeling of data movement complexity. We establish relationships between available aggregate physical memory in a parallel computer system and ineffective fusion configurations, enabling their pruning and consequent identification of effective choices and a characterization of optimality criteria. This work has resulted in the development of a significantly improved implementation of the four-index transform that enables higher performance and the ability to model larger electronic systems than the current implementation in the NWChem quantum chemistry software suite.

Rajbhandari, Samyam↗

Large-Scale Weibull Analysis of H-451 Nuclear- Grade Graphite Specimen Rupture Data

A Weibull analysis was performed of the strength distribution and size effects for 2000 specimens of H-451 nuclear-grade graphite. The data, generated elsewhere, measured the tensile and four-point-flexure room-temperature rupture strength of specimens excised from a single extruded graphite log. Strength variation was compared with specimen location, size, and orientation relative to the parent body. In our study, data were progressively and extensively pooled into larger data sets to discriminate overall trends from local variations and to investigate the strength distribution. The CARES/Life and WeibPar codes were used to investigate issues regarding the size effect, Weibull parameter consistency, and nonlinear stress-strain response. Overall, the Weibull distribution described the behavior of the pooled data very well. However, the issue regarding the smaller-than-expected size effect remained. This exercise illustrated that a conservative approach using a two-parameter Weibull distribution is best for designing graphite components with low probability of failure for the in-core structures in the proposed Generation IV (Gen IV) high-temperature gas-cooled nuclear reactors. This exercise also demonstrated the continuing need to better understand the mechanisms driving stochastic strength response. Extensive appendixes are provided with this report to show all aspects of the rupture data and analytical results.

Nemeth, Noel N.↗

KSC to EDEN ISS: Outredgeous Lettuce Growth on the Passive Porous Tube Nutrient Delivery System (PPTNDS)

EDEN ISS is a controlled environment greenhouse established near the Neumayer Station III in Antarcticawith the mission to enable fresh crop production for the crew who are working in this remote location. EDEN provides a space to conduct plant biology and related research in a unique and isolated controlled environment (CE), while providing a platform to test developing methods relevant to long duration manned space missions. In 2021, Kennedy Space Center (KSC) scientist Jess Bunchek fulfilled a one-year mission at EDEN. During that time a variety of fresh crops were grown to record horticultural and microbiological data as well as provide the crew with fresh food to eat. One method for crop growth included an experimental irrigation system called the Passive Porous Tube Nutrient Delivery System (PPTNDS) which was developed at KSC as a microgravity-capable plant irrigation system designed to support Space Plant Biology investigations and/or crop growth during space missions. The PPTNDS was employed to grow Outredgeous Lettuce (OL) during two growouts at EDEN, (harvesting at Day After Planting (DAP) 61 and 63) and two growouts at KSC where plant growth and micro sample data were captured. This paper presents the data collected from the PPTNDS and compares it to growth on a Nutrient Film Technique (NFT) hydroponic system operated in the same environment. The result shows a system that grows OL at a reduced rate compared to the NFT system but uses less water and crew interaction to operate.

Jacob Torres↗

Medusa spectroscopy of A400, A576, A1767, and A2124

Galaxy velocity data taken with the Steward Observatory multiple aperture fiber optic spectrograph are presented for four Abell clusters. The root-mean-square external errors in these velocities are about 100 km/s; accuracy which compares favorably with that obtained from single-object observations. It is expected that the recent adoption of a CCD detector should decrease external errors to about 50 km/s. All four of the clusters observed are known X-ray sources and the present data agree well with empirically derived velocity dispersion-X-ray luminosity relations for clusters of galaxies. Abell 400 is interesting in this regard, since both its X-ray luminosity and its velocity dispersion are quite small. Such objects are particularly important in determining the slope of the velocity dispersion-X-ray luminosity relation. The large microwave decrement observed in A576 was initially interpreted as due to Compton scattering of the microwave background by the X-ray-emitting intracluster gas. White and Silk have presented Einstein X-ray data which indicate that A576 contains too little gas to produce the observed microwave decrement by Compton scattering. The velocity dispersion obtained here for 47 members of this cluster strengthens their conclusion.

Hintzen, P.↗

Usefulness of AIRS-Derived OLR, Temperature, Water Vapor and Cloudiness Anomaly Trends for GCM Validation

Mainly due to their global nature, satellite observations can provide a very useful basis for GCM validations. In particular, satellite sounders such as AIRS provide 3-D spatial information (most useful for GCMs), so the question arises: can we use AIRS datasets for climate variability assessments? We show that the recent (September 2002 February 2010) CERES-observed negative trend in OLR of approx.-0.1 W/sq m/yr averaged over the globe is found in the AIRS OLR data as well. Most importantly, even minute details (down to 1 x 1 degree GCM-scale resolution) of spatial and temporal anomalies and trends of OLR as observed by CERES and computed based on AIRS-retrieved surface and atmospheric geophysical parameters over this time period are essentially the same. The correspondence can be seen even in the very large spatial variations of these trends with local values ranging from -2.6 W/sq m/yr to +3.0 W/sq m/yr in the tropics, for example. This essentially perfect agreement of OLR anomalies and trends derived from observations by two different instruments, in totally independent and different manners, implies that both sets of results must be highly accurate, and indirectly validates the anomalies and trends of other AIRS derived products as well. These products show that global and regional anomalies and trends of OLR, water vapor and cloud cover over the last 7+ years are strongly influenced by EI-Nino-La Nina cycles . We have created climate parameter anomaly datasets using AIRS retrievals which can be compared directly with coupled GCM climate variability assessments. Moreover, interrelationships of these anomalies and trends should also be similar between the observed and GCM-generated datasets, and, in cases of discrepancies, GCM parameterizations could be improved based on the relationships observed in the data. First, we assess spatial "trends" of variability of climatic parameter anomalies [since anomalies relative to the seasonal cycle are good proxies of climate variability] at the common 1x1 degree GCM grid-scale by creating spatial anomaly "trends" based on the first 7+ years of AIRS Version 5 Leve13 data. We suggest that modelers should compare these with their (coupled) GCM's performance covering the same period. We evaluate temporal variability and interrelations of climatic anomalies on global to regional e.g., deep Tropical Hovmoller diagrams, El-Nino-related variability scales, and show the effects of El-Nino-La Nina activity on tropical anomalies and trends of water vapor cloud cover and OLR. For GCMs to be trusted highly for long-term climate change predictions, they should be able to reproduce findings similar to these. In summary, the AIRS-based climate variability analyses provide high quality, informative and physically plausible interrelationships among OLR, temperature, humidity and cloud cover both on the spatial and temporal scales. GCM validations can use these results even directly, e. g., by creating 1x1 degree trendmaps for the same period in coupled climate simulations.

Molnar, Gyula I.↗

Video Based Sensor for Tracking 3-Dimensional Targets

Video-Based Sensor for Tracking 3-Dimensional Targets The National Aeronautics and Space Administration's (NASAs) Marshall Space Flight Center (MSFC) has been developing and testing video-based sensors for automated spacecraft guidance for several years, and the next generation of video sensor will have tracking rates up to 100 Hz and will be able to track multiple reflectors and targets. The Video Guidance Sensor (VGS) developed over the past several years has performed well in testing and met the objective of being used as the terminal guidance sensor for an automated rendezvous and capture system. The first VGS was successfully tested in closed-loop 3-degree-of-freedom (3- DOF) tests in 1989 and then in 6-DOF open-loop tests in 1992 and closed-loop tests in 1993-4. Development and testing continued, and in 1995 approval was given to test the VGS in an experiment on the Space Shuttle. The VGS flew in 1997 and in 1998, performing well for both flights. During the development and testing before, during, and after the flight experiments, numerous areas for improvement were found. The VGS was developed with a sensor head and an electronics box, connected by cables. The VGS was used in conjunction with a target that had wavelength-filtered retro-reflectors in a specific pattern, The sensor head contained the laser diodes, video camera, and heaters and coolers. The electronics box contained a frame grabber, image processor, the electronics to control the components in the sensor head, the communications electronics, and the power supply. The system works by sequentially firing two different wavelengths of laser diodes at the target and processing the two images. Since the target only reflects one wavelength, it shows up well in one image and not at all in the other. Because the target's dimensions are known, the relative positions and attitudes of the target and the sensor can be computed from the spots reflected from the target. The system was designed to work from I meter out to I 10 meters. The VGS was mounted on the Space Shuttle while its target was mounted on the Spartan free-flyer carried on the same Shuttle flight. The VGS tracked the Spartan at ranges up to 170m, and the VGS range data very closely matched the range data from the Hand-Held Laser- Rangefinder used by the astronauts on board the Shuttle. While the VGS was designed primarily as a terminal guidance sensor for an automated spacecraft, it could be applied to other uses. It could be used as an alignment aid for an operator of a remote system (giving position and attitude feedback data, as well as a camera view of the target), as a feedback system for a robotic arm, or for automated vehicle guidance. The next generation VGS, with its higher tracking rates, smaller size, and lower power could be used in more places than the original VGS, and by using LED's instead of laser diodes, the system would be eye-safe at any range. Other possible uses include tracking 3-dimensional objects with retro-reflectors mounted at various locations or motion analysis by placing several retro-reflectors on the moving object and tracking them at high speeds. There are few sensors capable of performing tasks similar to those the VGS can perform, and the next generation VGS will be even more capable than the original. Some of this work is previously presented in the papers.

Howard, R. T.↗

Studying methane migration mechanisms at Walker Ridge, Gulf of Mexico, via 3D methane hydrate reservoir modeling

We have developed a 3D methane hydrate reservoir simulator to model marine methane hydrate systems. Our simulator couples highly nonlinear heat and mass transport equations and includes heterogeneous sedimentation, in-situ microbial methanogenesis, the influence of pore size contrast on solubility gradients, and the impact of salt exclusion from the hydrate phase on dissolved methane equilibrium in pore water. Using environmental parameters from Walker Ridge in the Gulf of Mexico, we first simulate hydrate formation in and around a thin, dipping, planar sand stratum surrounded by clay lithology as it is buried to 295mbsf. We find that with sufficient methane being supplied by organic methanogenesis in the clays, a 200x pore size contrast between clays and sands allows for a strong enough concentration gradient to significantly drop the concentration of methane hydrate in clays immediately surrounding a thin sand layer, a phenomenon that is observed in well log data. Building upon previous work, our simulations account for the increase in sand-clay solubility contrast with depth from about 1.6% near the top of the sediment column to 8.6% at depth, which leads to a progressive strengthening of the diffusive flux of methane with time. By including an exponentially decaying organic methanogenesis input to the clay lithology with depth, we see a decrease in the aqueous methane supplied to the clays surrounding the sand layer with time, which works to further enhance the contrast in hydrate saturation between the sand and surrounding clays. Significant diffusive methane transport is observed in a clay interval of about 11m above the sand layer and about 4m below it, which matches well log observations. The clay-sand pore size contrast alone is not enough to completely eliminate hydrate (as observed in logs), because the diffusive flux of aqueous methane due to a contrast in pore size occurs slower than the rate at which methane is supplied via organic methanogenesis. Therefore, it is likely that additional mechanisms are at play, notably bound water activity reduction in clays. Three-dimensionality allows for inclusion of lithologic heterogeneities, which focus fluid flow and subsequently allow for heterogeneity in the methane migration mechanisms that dominate in marine sediments at a local scale. Incorporating recently acquired 3D seismic data from Walker Ridge to inform the lithologic structure of our modeled reservoir, we show that even with deep adjective sourcing of methane along highly permeable pathways, local hydrate accumulations can be sourced either by diffusive or advective methane flux; advectively-sourced hydrates accumulate evenly in highly permeable strata, while diffusively-sourced hydrates are characterized by thin strata-bound intervals with high clay-sand pore size contrasts.

Nole, Michael↗

The Calvin 28 cryptoexplosive disturbance, Cass County, Michigan: Evidence for impact origin

The Calvin 28 cryptoexplosive disturbance is an isolated, nearly circular subsurface structure of Late Ordovician age in southwestern Michigan. The structure is defined by 107 wells, is about 7.24 km in diameter and consists of a central dome, an annular depression and an encircling anticlinal rim. Seismic and geophysical well log data confirm that an intricate system of faults and structural derangement exists within the structure. Deformation decreases with depth and distance from the structure. U.S.G.S. topographic maps and aerial imagery show the structure is reflected as a subtle surface topographic rise controlling local drainage. Igneous or diapiric intrusion and solution collapse are rejected as possible origins for Calvin 28 on the basis of stratigraphic, structural and geophysical evidence. A volcanic origin is inconsistent with calculated energy requirements and an absence of igneous material. Although shock-metamorphic features are unidentified, microbreccias occur in deep wells that penetrate the structure. Morphology and structural parameters support an impact origin.

Milstein, Randall L.↗

Characterization and Application of Artificial Light Sources for Nighttime Aerosol Optical Depth Retrievals using the Visible Infrared Imager Radiometer Suite Day/Night Band

Using nighttime observations from Visible Infrared Imager Radiometer Suite (VIIRS) Day/Night band (DNB), the characteristics of artificial light sources are evaluated as functions of observation conditions, and incremental improvements are documented on nighttime aerosol retrievals using VIIRS DNB data on a regional scale. We find that the standard deviation of instantaneous radiance for a given artificial light source is strongly dependent upon the satellite viewing angle but is weakly dependent on lunar fraction and lunar angle. Retrieval of nighttime aerosol optical thickness (AOT) based on the novel use of these artificial light sources is demonstrated for three selected regions (United States, Middle East and India) during 2015. Reason-able agreement is found between nighttime AOTs from the VIIRS DNB and temporally adjacent daytime AOTs from the AErosol RObotic NETwork (AERONET) as well as from coincident nighttime AOT retrievals from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP), indicating the potential of this method to begin filling critical gaps in diurnal AOT information at both regional and global scales. Issues related to cloud, snow and ice contamination during the winter season, as well as data loss due to the misclassification of thick aerosol plumes as clouds, must be addressed to make the algorithm operationally robust.

Jianglong Zhang↗

Isotherm Modeling and Techno-Economic Analysis of Contactor Technologies for New Tetraamine-Appended MOF for NGCC Applications

Recently, a family of tetraamine-functionalized metal-organic frameworks (MOF) has been reported as promising sorbent materials for capturing CO2 from flue gas conditions relevant to natural gas combined cycle (NGCC) applications. The main advantages of these materials are their two-step cooperative CO2 adsorption, which gives rise to unusual two step-shaped CO2 adsorption profiles and their high thermal stability. This work presents the modelling of the two-transition isotherm of the tetraamine-appended MOF, N,N'-bis(3-aminopropyl)-1,4-diaminobutane (3-4-3)-appended Mg2(dobpdc), and the techno-economic analysis (TEA) of carbon capture processes utilizing this sorbent. Due to the unusual isotherm shapes of the experimental CO2 adsorption data for tetraamine-appended Mg2(dobpdc) and the strong nonlinearity of CO2 loading with respect to temperature and pressure, we tested two different models which use logistic functions for representing the different isotherm behaviors in the different pressure ranges. The first model uses the quadratic isotherm model in the low-pressure region, the Langmuir isotherm model in the middle pressure range, and the dual site Langmuir isotherm model in the high-pressure range. To model the transition between regions we used the arctangent functions independent of temperature and the thermal effect was accounted by using the Clausius-Clapeyron relation]. The second model is an extension of the weighted dual-site Langmuir isotherm model presented by Hughes et al.. In this extended model, the dual-site Langmuir isotherm is employed in the three transition regions, using temperature-dependent logistic functions to activate or deactivate the isotherm model in the low, middle, and high-pressure ranges. Both models fit the experimental data quite well with root mean squared errors (RMSE’s) of 0.41 and 0.17 for model 1 and model 2, respectively. Since model 2 resulted in a lower RMSE, it was leveraged for the development of the gas/solid contactor models used by the TEA. Specifically, two different contactor models, an axial-flow fixed bed and moving bed contactor, were developed as part of this work. These models are dynamic, pressure-driven, and consist of mass, energy, and momentum conservation equations. A kinetic model was also developed by performing parameter estimation using experimental fixed bed breakthrough data. These models are then used to simulate CO2 capture processes from the flue gas generated from a ~600 gross MW NGCC power plant. A cost model was developed which considers the capital cost of the reactors and the significant operating costs such as steam and electricity. Using NETL’s Framework for the Optimization and Quantification of Uncertainty of Uncertainty and Surrogates tool (FOQUS), which has the capability of linking models built using numerous modelling platforms with derivative-free optimization solvers, a techno-economic optimization of the carbon capture processes was performed which minimizes the cost of capture.

Caballero, Daison↗

AI-Enabled Robots for Automated Nondestructive Evaluation and Repair of Power Plant Boilers. Final Report

Boiler failure could cause loss of life and safety issues, cost hundreds of thousands of dollars in equipment repairs, property damage and production losses, and drive up the cost of electric power. Boiler maintenance is challenging and risky for inspectors working on scaffolding in confined hazardous spaces inside of a boiler and sometimes the space is hard to access. The operation is also time-consuming due to the large area of vertical structures for inspection and the tremendous effort needed for scaffolding. Recently, the use of robotics (e.g., drones and crawlers) in power plants for maintenance is growing rapidly. However, the existing robotics solutions show two notable technological gaps: no live repair capability, and no Artificial Intelligence (AI) for smart autonomy. The objective of this project is to develop an integrated autonomous robotic platform that is equipped with compact non-destructive evaluation (NDE) sensors to perform live inspection, operates onboard repair devices to perform live repair, and uses AI for intelligent data fusion and predictive analysis for automated and smart spatiotemporal inspection, analysis and repair of the furnace walls in coal-fired boilers. The approach to achieve the objective includes developing NDE sensors with signal processing techniques, designing and evaluating repair devices for robots based on fusion and solid-state technologies, and an autonomous robotic platform that can attach to and navigate on boiler furnace walls using magnetic drive tracks. The robot is also powered by AI to automate data gathering (e.g., 3D mapping and damage localization) and predictive analysis. This project has advanced the state-of-the-art by providing technological breakthroughs including compact NDE and repair tools for robots, AI capabilities for smart autonomy, and a robotic platform for automated boiler maintenance. This project has great potential to result in significant benefits including limiting or eliminating the need to send operators to assess difficult-to-access or hazardous areas, enabling automated live inspection and repair, avoiding time consuming scaffolding (especially for partial maintenance during unplanned outage), collecting comprehensive and well-organized data smartly, and avoiding or limiting the need for onsite or remote piloting technicians. The impacts can be tremendous in terms of the time and cost savings, reducing the risk for human operators, and increasing boiler reliability, usability, and efficiency. In addition, by developing the new technologies on the autonomous inspection and repair robot, by involving multiple undergraduate and graduate students working together with the faculty members on this project, and by generating knowledge and building up collaborations with industrial partners, this effort will significantly update the education capabilities, support long-term fundamental research, and maintain the leadership of Colorado School of Mines and Michigan State University in energy fields.

20 FOSSIL-FUELED POWER PLANTS↗

Development and Performance of a Filter Radiometer Monitor System for Integrating Sphere Sources

The NASA Goddard Space Flight Center (GSFC) Radiometric Calibration Laboratory (RCL) maintains several large integrating sphere sources covering the visible to the shortwave infrared wavelength range. Two critical, functional requirements of an integrating sphere source are short and long-term operational stability and repeatability. Monitoring the source is essential in determining the origin of systemic errors, thus increasing confidence in source performance and quantifying repeatability. If monitor data falls outside the established parameters, this could be an indication that the source requires maintenance or re-calibration against the National Institute of Science and Technology (NIST) irradiance standard. The GSFC RCL has developed a Filter Radiometer Monitoring System (FRMS) to continuously monitor the performance of its integrating sphere calibration sources in the 400 to 2400nm region. Sphere output change mechanisms include lamp aging, coating (e.g. BaSO4) deterioration, and ambient water vapor level. The Filter Radiometer Monitor System (FRMS) wavelength bands are selected to quantify changes caused by these mechanisms. The FRMS design and operation are presented, as well as data from monitoring four of the RCL s integrating sphere sources.

Ding, Leibo↗

Detection of surface water temperature variations of Mongolian lakes benefiting from the spatially and temporally gap-filled MODIS data

Lakes provide critical water resources for human activities and ecosystems, particularly in the Mongolian Plateau (MP), which is characterized by a dry climate and a harsh environment. As a region that is sensitive to anthropogenic warming, tracking lake surface water temperature (LSWT) changes in Mongolian lakes is crucial for understanding the consequences of a warming climate on lake ecosystems. However, the long-term monitoring of LSWT is restricted by the spatiotemporal gaps in the raw imagery of remote sensing-based land surface temperature (LST), e.g., the commonly used Moderate Resolution Imaging Spectroradiometer (MODIS) LST products. This study applied an improved gap-filling method by utilizing the discrete cosine transform-based penalized least squares (DCT-PLS) strategy in the spatial domain combined with the linear interpolation (LI) algorithm in the temporal domain. The method was applied to fill gaps in the LSWT imagery of 12 representative lakes across MP. The randomly sampled high-quality MODIS LSWT values in the spatial and temporal domains were excavated as false data gaps and considered “virtual true” validation datasets. The spatial validation results showed that the estimated LSWT for all the lake cases were comparable with the “virtual true” LSWT values, with the average values of the coefficient of determination, mean absolute error, mean square error, and root mean square error being 0.98, 0.38 °C, 0.45 °C, and 0.59 °C, respectively. Meanwhile, the error of nighttime LSWT results was relatively lower than that of daytime LSWT. For temporal interpolation validation, the LI algorithm exhibited relatively better performance and could more objectively indicate the variation in LSWT. Benefiting from the spatially and temporally well-constrained data, we analyzed the interannual and intra-annual change characteristics of the LSWTs of the 12 lakes. The long-term variations of annual and seasonal mean LSWTs in the 12 selected lakes exhibited no evident trends in 2000–2020, while presented apparent interannual fluctuations. The slight changes in the average LSWTs of the 12 selected lakes were in excellent synchronization with the surrounding LST derived from the reanalysis datasets, confirming the widely reported phenomenon of “global warming hiatus” that occurred in the early 21st century. This study improves the understanding of the LSWT variations in Mongolian lakes in response to global climate change. It has the potential to provide an effective approach for monitoring LSWT changes in other large-scale studies.

54 ENVIRONMENTAL SCIENCES↗

COMBLE Radar b1 Processing: Corrections, Calibrations, and Processing Report

The U.S. Department of Energy’s (DOE) Atmospheric Radiation Measurement (ARM) user facility recently concluded its Cold-Air Outbreaks in the Marine Boundary Layer Experiment (COMBLE), with its campaign emphasis on marine boundary-layer clouds and mixed-phase clouds during cold-air outbreaks. The COMBLE campaign featured the deployment of the first ARM Mobile Facility (AMF1) to northern Scandinavia (Andenes, Norway), including its standard complement of ARM cloud radars. In keeping with user demands stemming from the previous AMF Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina, a post-campaign radar mentor effort was initiated for COMBLE. This activity was intended to improve the usability of the ARM cloud radar data sets in response to overall demands for calibrated, corrected data sets for downstream studies and retrieval applications. In addition to the terrain complexities previously important to CACTI data sets (e.g., clutter designation and/or removal), COMBLE presented new challenges to existing ARM radar mentor capabilities. These included the extension of existing methodologies (e.g., relative calibration adjustment [RCA] target techniques) to frozen environments and the potential issues with their applicability when considering mixed-phase precipitation conditions. As in the previous CACTI documentation (Hardin et al. 2020), the overall calibration and conditioning process in ARM nomenclature is referred to as generating a “b1” datastream. For the radars, these “b1” standards refer to a datastream that has been calibrated (and cross-calibrated), with effort to deliver the highest-quality (well-characterized) data possible. The “b1” radar mentor reporting (this current document) is intended to detail (i) the status/quality of the original “a1” (raw) data sets during the COMBLE AMF campaign, (ii) the corrections and calibrations that are applied to generate the b1 datastreams available on ARM’s Data Discovery, and (iii) the details of the applied methods, e.g., how radar offset/calibration numbers were determined.

54 ENVIRONMENTAL SCIENCES↗

Verification and Validation of the k-kL Turbulence Model in FUN3D and CFL3D Codes

The implementation of the k-kL turbulence model using multiple computational uid dy- namics (CFD) codes is reported herein. The k-kL model is a two-equation turbulence model based on Abdol-Hamid's closure and Menter's modi cation to Rotta's two-equation model. Rotta shows that a reliable transport equation can be formed from the turbulent length scale L, and the turbulent kinetic energy k. Rotta's equation is well suited for term-by-term mod- eling and displays useful features compared to other two-equation models. An important di erence is that this formulation leads to the inclusion of higher-order velocity derivatives in the source terms of the scale equations. This can enhance the ability of the Reynolds- averaged Navier-Stokes (RANS) solvers to simulate unsteady ows. The present report documents the formulation of the model as implemented in the CFD codes Fun3D and CFL3D. Methodology, veri cation and validation examples are shown. Attached and sepa- rated ow cases are documented and compared with experimental data. The results show generally very good comparisons with canonical and experimental data, as well as matching results code-to-code. The results from this formulation are similar or better than results using the SST turbulence model.

Abdol-Hamid, Khaled S.↗

spammR: an R package designed for analysis and integration of spatial multi-omic measurements

Spatial omics is a young and evolving field and as such shows rapid development of novel technologies and analysis methods to measure transcripts, proteins, metabolites, and post-translational modifications at high spatial resolution. These advances in technology have enabled the simultaneous generation of abundance profiles for multiple different omics types and associated microscopy imaging data, as well as their analysis in a spatial context. However, most analytical tools are designed for spatial transcriptomics platforms and are challenging to use in other contexts such as mass spectrometry-based measurements or metagenomics. To this end we present spammR (spatial analysis of multi-omics measurements in R), an R package that enables end-to-end analysis with a specific focus on mass-spectrometry derived spatial omics datasets with (1) smaller sample sizes and spatial sparsity of samples, (2) considerable missingness, and (3) no a-priori knowledge about proteins or genes of interest, relying on a fully data-driven approach.

spammR↗

Grid Operator Analytics and Assessment Tools for Inverter- Based Resources Dominated Grid (GOAAT-IBR) Project Update

This presentation provides an update on the OPTIMA GOAAT project, with emphasis on the cloud-native data platform developed in-house to ingest, manage, and operationalize high-resolution power system data. Since our last NASPI presentation, accessible via OSTI ID #2671437, the project team advanced the design and deployment of a scalable architecture capable of handling both synchronized and non-synchronized streams, including PMU, point-on-wave (POW), COMTRADE, and SCADA data. These materials review the project status, recent progress, and key lessons learned. The core of the presentation examines the architecture and engineering of our cloud-native ingestion and data management platform. We then explain how pipelines were designed to collect, normalize, time-align, store, and serve heterogeneous data at scale. We will discuss design choices such as data models, streaming versus batch ingestion, storage tiers, and interoperability with analytics applications. Practical experiences with cloud-native technologies were shared during the event, including benefits, limitations, and integration challenges in a utility environment, along with methods used to improve performance, reduce latency, and optimize resource usage. The presentation also showcases user interface designs and visualization tools that convert raw measurements and analytics results into intuitive, actionable insights for operators and engineers. During the presentation examples were provided demonstrating how visualization, event views, and summarized analytics enhance situational awareness and support operational decision-making. These use cases illustrate how a well-designed data infrastructure can bridge the gap between high-volume measurements and practical grid operations.

Aminifar, Farrokh↗

Microcracking in composite laminates under thermal and mechanical loading

Composites used in space structures are exposed to both extremes in temperature and applied mechanical loads. Cracks in the matrix form, changing the laminate thermoelastic properties. The goal of the present investigation is to develop a predictive methodology to quantify microcracking in general composite laminates under both thermal and mechanical loading. This objective is successfully met through a combination of analytical modeling and experimental investigation. In the analysis, the stress and displacement distributions in the vicinity of a crack are determined using a shear lag model. These are incorporated into an energy based cracking criterion to determine the favorability of crack formation. A progressive damage algorithm allows the inclusion of material softening effects and temperature-dependent material properties. The analysis is implemented by a computer code which gives predicted crack density and degraded laminate properties as functions of any thermomechanical load history. Extensive experimentation provides verification of the analysis. AS4/3501-6 graphite/epoxy laminates are manufactured with three different layups to investigate ply thickness and orientation effects. Thermal specimens are cooled to progressively lower temperatures down to -184 C. After conditioning the specimens to each temperature, cracks are counted on their edges using optical microscopy and in their interiors by sanding to incremental depths. Tensile coupons are loaded monotonically to progressively higher loads until failure. Cracks are counted on the coupon edges after each loading. A data fit to all available results provides input parameters for the analysis and shows them to be material properties, independent of geometry and loading. Correlation between experiment and analysis is generally very good under both thermal and mechanical loading, showing the methodology to be a powerful, unified tool. Delayed crack initiation observed in a few cases is attributed to a lack of preexisting flaws assumed by the analysis. Some interactions between adjacent ply groups are attributed to local stress concentrations. These two effects are not captured by the analysis due to its global nature. The analysis is conservative in these cases and agrees well with data after the observed onset of cracking.

Maddocks, Jason R.↗