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NASA NTRS1992

Turbine blade tip and seal clearance excitation forces

Experimental and theoretical work done as Phase 3 of a program sponsored by MSFC to investigate the magnitude, origin, and parametric variations of destabilizing forces which arise in high power turbines due to blade-tip leakage effects are described. The two facilities which were built for this purpose are first described. The larger one is a closed, 2 atm pressurized Freon-12 flow loop in which is installed a 1:1 replica of the SSME first stage hydrogen turbine, which can be driven by the flow, and which generates about 14 KW of power into a load-absorbing DC generator. The smaller facility is used to measure the forces on labyrinth seals of the same type as those used in our turbine tests with a shrouded turbine. The seals can be kinematically whirled and spun (independently), and the inlet swirl can be set to a variety of values. Air is the working fluid (with atmospheric discharge) and the data are real-time pressure distributions in the seal glands. The five different unshrouded turbine configurations were tested with static offsets, plus one with a shroud band and a two-ridge seal. Theoretical models of various degrees of complexity were developed to help interpreting and extrapolating the data. The notion of partial work done by the fluid leaking through the tip gaps was put on a quantitative basis by examining the leakage vortex roll-up dynamics. This was used to obtain a theory of the work loss due to a uniform gap. Perturbation and multiple scale arguments were then used to extend this to the case of an eccentric turbine. This yields an unsteady, 3-D theory which can predict the distribution of the approach flow, and its effect on work defect, cross-forces, pressure patterns, and dynamic damping. The predictions agree qualitatively with the data and exhibit the correct trends, but the cross-forces are generally under-predicted.

Martinez-Sanchez, M.↗
DOE OSTI2024

Integrating HPC, AI, and Workflows for Scientific Data Analysis: Report from Dagstuhl Seminar 23352

The Dagstuhl Seminar 23352, titled “Integrating HPC, AI, and Workflows for Scientific Data Analysis,” held from August 27 to September 1, 2023, was a significant event focusing on the synergy between High-Performance Computing (HPC), Artificial Intelligence (AI), and scientific workflow technologies. The seminar recognized that modern Big Data analysis in science rests on three pillars: workflow technologies for reproducibility and steering, AI and Machine Learning (ML) for versatile analysis, and HPC for handling large data sets. These elements, while crucial, have traditionally been researched separately, leading to gaps in their integration. The seminar aimed to bridge these gaps, acknowledging the challenges and opportunities at the intersection of these technologies. The event highlighted the complex interplay between HPC, workflows, and ML, noting how ML has increasingly been integrated into scientific workflows, thereby enhancing resource demands and bringing new requirements to HPC architectures, like support for GPUs and iterative computations. The seminar also addressed the challenges in adapting HPC for large-scale ML tasks, including in areas like deep learning, and the need for workflow systems to evolve to leverage ML in data analysis fully. Moreover, the seminar explored how ML could optimize scientific workflow systems and HPC operations, such as through improved scheduling and fault tolerance. A key focus was on identifying prestigious use cases of ML in HPC and understanding their unique, unmet requirements. The stochastic nature of ML and its impact on the reproducibility of data analysis on HPC systems was also a topic of discussion.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2016

Evaluating ESA CCI Soil Moisture in East Africa

To assess growing season conditions where ground based observations are limited or unavailable, food security and agricultural drought monitoring analysts rely on publicly available remotely sensed rainfall and vegetation greenness. There are also remotely sensed soil moisture observations from missions like the European Space Agency (ESA) Soil Moisture and Ocean Salinity (SMOS) and NASAs Soil Moisture Active Passive (SMAP), however these time series are still too short to conduct studies that demonstrate the utility of these data for operational applications, or to provide historical context for extreme wet or dry events. To promote the use of remotely sensed soil moisture in agricultural drought and food security monitoring, we use East Africa as a case study to evaluate the quality of a 30+ year time series of merged active-passive microwave soil moisture from the ESA Climate Change Initiative (CCI-SM). Compared to the Normalized Difference Vegetation index (NDVI) and modeled soil moisture products, we found substantial spatial and temporal gaps in the early part of the CCI-SM record, with adequate data coverage beginning in 1992. From this point forward, growing season CCI-SM anomalies were well correlated (R greater than 0.5) with modeled, seasonal soil moisture, and in some regions, NDVI. We use correlation analysis and qualitative comparisons at seasonal time scales to show that remotely sensed soil moisture can add information to a convergence of evidence framework that traditionally relies on rainfall and NDVI in moderately vegetated regions.

Amy McNally↗
DOE OSTI2023

Offshore wind energy forecasting sensitivity to sea surface temperature input in the Mid-Atlantic

Abstract. As offshore wind farm development expands, accurate wind resource forecasting over the ocean is needed. One important yet relatively unexplored aspect of offshore wind resource assessment is the role of sea surface temperature (SST). Models are generally forced with reanalysis data sets, which employ daily SST products. Compared with observations, significant variations in SSTs that occur on finer timescales are often not captured. Consequently, shorter-lived events such as sea breezes and low-level jets (among others), which are influenced by SSTs, may not be correctly represented in model results. The use of hourly SST products may improve the forecasting of these events. In this study, we examine the sensitivity of model output from the Weather Research and Forecasting model (WRF) 4.2.1 to different SST products. We first evaluate three different data sets: the Multiscale Ultrahigh Resolution (MUR25) SST analysis, a daily, 0.25∘ × 0.25∘ resolution product; the Operational Sea Surface Temperature and Ice Analysis (OSTIA), a daily, 0.054∘ × 0.054∘ resolution product; and SSTs from the Geostationary Operational Environmental Satellite 16 (GOES-16), an hourly, 0.02∘ × 0.02∘ resolution product. GOES-16 is not processed at the same level as OSTIA and MUR25; therefore, the product requires gap-filling using an interpolation method to create a complete map with no missing data points. OSTIA and GOES-16 SSTs validate markedly better against buoy observations than MUR25, so these two products are selected for use with model simulations, while MUR25 is at this point removed from consideration. We run the model for June and July of 2020 and find that for this time period, in the Mid-Atlantic, although OSTIA SSTs overall validate better against in situ observations taken via a buoy array in the area, the two products result in comparable hub-height (140 m) wind characterization performance on monthly timescales. Additionally, during hours-long flagged events (< 30 h each) that show statistically significant wind speed deviations between the two simulations, both simulations once again demonstrate similar validation performance (differences in bias, earth mover's distance, correlation, and root mean square error on the order of 10−1 or less), with GOES-16 winds validating nominally better than OSTIA winds. With a more refined GOES-16 product, which has been not only gap-filled but also assimilated with in situ SST measurements in the region, it is likely that hub-height winds characterized by GOES-16-informed simulations would definitively validate better than those informed by OSTIA SSTs.

17 WIND ENERGY↗
NASA NTRS2021

Integrating Inland and Coastal Water Quality Data for Actionable Knowledge

Water quality measures for inland and coastal waters are available as discrete samples from professional and volunteer water quality monitoring programs and higher-frequency, near-continuous data from automated in situ sensors. Water quality parameters also are estimated from model outputs and remote sensing. The integration of these data, via data assimilation, can result in a more holistic characterization of these highly dynamic ecosystems, and consequently improve water resource management. It is becoming common to see combinations of these data applied to answer relevant scientific questions. Yet, methods for scaling water quality data across regions and beyond, to provide actionable knowledge for stakeholders, have emerged only recently, particularly with the availability of satellite data now providing global coverage at high spatial resolution. In this paper, data sources and existing data integration frameworks are reviewed to give an overview of the present status and identify the gaps in existing frameworks. We propose an integration framework to provide information to user communities through the the Group on Earth Observations (GEO) AquaWatch Initiative. This aims to develop and build the global capacity and utility of water quality data, products, and information to support equitable and inclusive access for water resource management, policy and decision making.

Ghada Y.H. El Serafy↗
NASA NTRS2020

Synergistic Use of Hyperspectral UV-Visible OMI and Broadband Meteorological Imager MODIS Data for a Merged Aerosol Product

The retrieval of optimal aerosol datasets by the synergistic use of hyperspectral ultraviolet(UV)–visible and broadband meteorological imager (MI) techniques was investigated. The Aura Ozone Monitoring Instrument (OMI) Level 1B (L1B) was used as a proxy for hyperspectral UV–visible instrument data to which the Geostationary Environment Monitoring Spectrometer (GEMS) aerosol algorithm was applied. Moderate-Resolution Imaging Spectroradiometer (MODIS) L1B and dark target aerosol Level 2 (L2) data were used with a broadband MI to take advantage of the consistent time gap between the MODIS and the OMI. First, the use of cloud mask information from the MI infrared (IR) channel was tested for synergy. High-spatial-resolution and IR channels of the MI helped mask cirrus and sub-pixel cloud contamination of GEMS aerosol, as clearly seen in aerosol optical depth (AOD) validation with Aerosol Robotic Network (AERONET) data. Second, dust aerosols were distinguished in the GEMS aerosol-type classification algorithm by calculating the total dust confidence index (TDCI) from MODIS L1B IR channels. Statistical analysis indicates that the Probability of Correct Detection (POCD) between the forward and inversion aerosol dust models (DS) was increased from 72% to 94% by use of the TDCI for GEMS aerosol-type classification, and updated aerosol types were then applied to the GEMS algorithm. Use of the TDCI for DS type classification in the GEMS retrieval procedure gave improved single-scattering albedo (SSA) values for absorbing fine pollution particles (BC) and DS aerosols. Aerosol layer height (ALH) retrieved from GEMS was compared with Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) data, which provides high-resolution vertical aerosol profile information. The CALIOP ALH was calculated from total attenuated backscatter data at 1064 nm, which is identical to the definition of GEMS ALH. Application of the TDCI value reduced the median bias of GEMS ALH data slightly. The GEMS ALH bias approximates zero, especially for GEMS AOD values of>~0.4 and GEMS SSA values of<~0.95.Finally, the AOD products from the GEMS algorithm and MI were used in aerosol merging with the maximum-likelihood estimation method, based on a weighting factor derived from the standard deviation of the original AOD products. With the advantage of the UV–visible channel in retrieving aerosol properties over bright surfaces, the combined AOD products demonstrated better spatial data availability than the original AOD products, with comparable accuracy. Furthermore, pixel-level error analysis of GEMS AOD data indicates improvement through MI synergy.

aerosol↗
DOE OSTI2026

Analytical models of hydrogen transport in graphite

The importance of graphite-hydrogen chemical reactions to fusion, fission, and hydrogen storage applications, combined with the rapidly evolving knowledge on the underlying mechanisms, has led to the development of multiple models to describe hydrogen transport in graphite. Significant differences exist among these models, resulting from discrepancies in the modeling assumptions, intended degree of fidelity, and conditions of applicability. This paper attempts at reconciling these apparent differences by providing a comprehensive description of the constitutive equations governing hydrogen transport in graphite at high-temperature, identifying outstanding gaps in knowledge, illustrating how these different models approach them, and proposing alternative analytical formulations grounded on experimental results from hydrogen-graphite studies. Governing equations, closing relations, and simplifying assumptions are discussed for hydrogen transport at the inter-granular and intra-granular level, accompanied by compiled experimental data and illustrated energy diagrams associated to the proposed transport mechanisms. Analytical formulations are provided to reproduce competing hypotheses on the mechanisms, supporting the development of a range of computational models that can enable resolution of outstanding knowledge gaps through comparative testing against experimental data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRSDate not supplied

Effects of Porous Gap Fillers on Leading-Edge Slat Noise of 30P30N. Part II: PIV Measurements

The leading edge slat of a high-lift system is one of the main contributors to the airframe noise during approach conditions. This paper, the second of two parts, continues our previous studies on the slat gap filler as a passive noise control device on the two-dimensional, 30P30N multielement airfoil. Whereas the earlier study was focused on the effects of an impermeable gap filler that completely blocks the flow through the gap, this follow-on assessment is devoted to permeable slat gap fillers that allow limited amounts of flow to pass through the gap. Part I of this two-part abstract described the aerodynamic and acoustic effects of the permeable gap fillers, as inferred from both the measurements of static and unsteady surface pressures and the microphone array data for the radiated noise. To understand the physical mechanism responsible for the noise reduction documented in Part I, as well as for the accompanying aerodynamic penalty due to the porous gap fillers, Particle Image Velocimetry (PIV) is used in this paper to measure the flow details in the slat-cove region of the 30P30N model. A single angle of attack (𝛼 = 5.5◦) and a chord based Reynolds number of 1.71𝑒6 are selected as the test conditions. The PIV results show that the slat flow features are significantly altered with the presence of the porous gap filler, resulting in a more stable slat-cove shear layer and, thus, reduced velocity fluctuations with a successive decrease in the permeability. The porous gap filler with the lowest permeability acts similar to the solid gap filler. However, flow separation is observed on the upper side of the porous interface, which leads to an aerodynamic performance penalty via a reduction in lift on the main wing.

slat noise↗
DOE OSTI2024

A high-throughput and data-driven computational framework for novel quantum materials

Two-dimensional layered materials, such as transition metal dichalcogenides (TMDs), possess an intrinsic van der Waals gap at the layer interface, allowing for remarkable tunability of the optoelectronic features via external intercalation of foreign guests such as atoms, ions, or molecules. Herein, we introduce a high-throughput, data-driven computational framework for the design of novel quantum materials derived from intercalating planar conjugated organic molecules into bilayer transition metal dichalcogenides and dioxides. By combining first-principles methods, material informatics, and machine learning, we characterize the energetic and mechanical stability of this new class of materials and identify the fifty (50) most stable hybrid materials from a vast configurational space comprising ∼105 materials, employing intercalation energy as the screening criterion.

Kastuar, Srihari M. (ORCID:0000000279001561)↗
DOE OSTI2023

Thermodynamic description of molten salt systems: KCl-LiCl-NaCl and KCl-LiCl-NdCl 3

The mixture of KCl and LiCl has been used as electrolyte in the electrorefining process to recover uranium from used nuclear fuels due to the low melting point. However, lanthanides and sodium in the reactor waste continuously dissolve into it and thus alter its thermodynamic properties. To understand the thermodynamic behavior evolution of the electrolyte with the accumulation of impurities, thermodynamic modeling for KCl-LiCl-NaCl and KCl-LiCl-NdCl 3 and four constituent binary systems in the entire composition space was performed using the CALPHAD (CALculation of PHAse Diagrams) approach. The ionic liquid was described by the two-sublattice model, where neutral species were introduced to consider short-range ordering (SRO) within the melt, whereas the solid solution was modeled based on the Compound Energy Formalism. Literature data on phase equilibria and thermochemical properties were critically evaluated and used during the optimization of thermodynamic parameters for KCl-LiCl-NaCl and KCl-LiCl-NdCl 3 and their subsystems. The calculated phase diagrams and mixing enthalpies are in good agreement with the experimental data. The thermodynamic modeling for the KCl-LiCl-NdCl 3 system was carried out for the first time. To fill the gap in experimental measurement, enthalpy of mixing for the KCl-LiCl-NdCl 3 melt was estimated using the surrounded-ion model. These data then served as critical inputs for thermodynamic optimization. Furthermore, the present study can provide insights into thermodynamic property evolution of the electrolyte and solubility limit of various impurities during the electrorefining process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Sister Rod Destructive Examinations (FY22) Appendix F2: Evaluation of Fuel Rod Fatigue During Spent Fuel Transportation

This report documents work performed under the Spent Fuel and Waste Disposition’s Spent Fuel and Waste Science and Technology program for the US Department of Energy (DOE) Office of Nuclear Energy (NE). This work was performed to fulfill Level 2 Milestone M2SF-23OR010201024, “FY22 Report on ORNL Sibling Rod Testing Results,” within work package SF-23OR01020102 and is an update to the work reported in M2SF-22OR010201047, M2SF-21OR010201032, M2SF-19ORO010201026, and M2SF- 19OR010201028. As a part of DOE NE High Burnup Spent Fuel Data Project, Oak Ridge National Laboratory (ORNL) is performing destructive examinations (DEs) of high burnup (HBU) (>45 GWd/MTU) spent nuclear fuel (SNF) rods from the North Anna Nuclear Power Station operated by Dominion Energy. The SNF rods, called sister rods or sibling rods, are all HBU and include four different kinds of fuel rod cladding: standard Zircaloy-4 (Zirc-4), low-tin (LT) Zirc-4, ZIRLO, and M5. The DEs are being conducted to obtain a baseline of the HBU rods’ condition before dry storage and are focused on understanding overall SNF rod strength and durability. Composite fuel and defueled cladding will be tested to derive material properties. Although the data generated can be used for multiple purposes, one primary goal for obtaining the post-irradiation examination data and the associated measured mechanical properties is to support SNF dry storage licensing and relicensing activities by (1) addressing identified knowledge gaps and (2) enhancing the technical basis for post-storage transportation, handling, and subsequent disposition. This appendix documents an evaluation of the fatigue data to enhance the technical basis for post-storage transportation, handling, and subsequent disposition and to identify future testing needs for Phase 2 of the project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Paramagnetic electronic structure of CrSBr: Comparison between ab initio G W theory and angle-resolved photoemission spectroscopy

Here, we explore the electronic structure of paramagnetic CrSBr by comparative first-principles calculations and angle-resolved photoemission spectroscopy. We theoretically approximate the paramagnetic phase using a supercell hosting spin configurations with broken long-range order and applying quasiparticle self-consistent GW theory, without and with the inclusion of excitonic vertex corrections to the screened Coulomb interaction (QS GW and QS $G\widehat{W}$, respectively). Comparing the quasiparticle band-structure calculations to angle-resolved photoemission data collected at 200 K results in excellent agreement. This allows us to qualitatively explain the significant broadening of some bands as arising from the broken magnetic long-range order and/or electronic dispersion perpendicular to the quasi-two-dimensional layers of the crystal structure. The experimental band gap at 200 K is found to be at least 1.51 eV at 200 K. At lower temperature, no photoemission data can be collected as a result of charging effects, pointing towards a significantly larger gap, which is consistent with the calculated band gap of approximately 2.1 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

CMIP7 data request: Earth system priorities and opportunities

This paper presents a comprehensive overview of the Coupled Model Intercomparison Project Phase 7 (CMIP7) request for data pertaining to Earth systems science, and provides justification for the resources needed to produce this data. Topics within the CMIP7 Earth System (CMIP7-ES) theme centre around tracking of flows of energy, carbon, water and other fluxes across domains, and constraining feedbacks between these cycles and the climate system. These topics are summarized in this paper as scientific “opportunities” describing specific model intercomparison experiments and use cases for next-generation Earth System Model (ESM) output. These opportunities were submitted by modelling groups and scientific consortia following an extended public consultation process. Contained within each opportunity are requests for groups of Climate & Forecasting (CF) variables, which are bundled into variable groups representing all data required to address the opportunities' needs. Novel opportunities in CMIP7 compared with previous phases will include running `emissions-driven' simulations that integrate carbon emissions and removal scenarios with updated representations of the global carbon cycle, expanded variable groups needed to model marine trophic interactions and biogeochemistry, and data needed to understand the risk of global tipping points, among others. The production of these variables will close key gaps and uncertainties identified during previous rounds of CMIP, and support the 7th Intergovernmental Panel on Climate Change Assessment Report (AR7). We argue that CMIP7-ES data will be broadly used by scientific, policy, governmental, industry, and other communities that rely on climate model projections for research and decision making. As an author group we also reflect on the evolution of the CMIP7-ES data request as a part of a deliberative process in support of the global CMIP program.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2018

Modeling and Flight Performance of Supersonic Disk-Gap-Band Parachutes in Slender Body Wakes

NASA's ASPIRE (Advanced Supersonic Parachute Inflation Research and Experiments) project is investigating the supersonic deployment and inflation of full-scale parachutes. To achieve Mars-relevant conditions, the parachutes are deployed at high altitudes over Earth on a sounding rocket platform. During the flight test, Disk-Gap-Band parachutes of 21.5 meter diameter are deployed behind a slender payload 1/6th the diameter of the blunt Mars2020 capsule. Due to the differences in leading body geometry between the test flight and a parachute deployment at Mars, high fidelity numerical simulations of slender and blunt bodywakes, and of rigid parachutes behind them, were used to understand differences and similarities in the flow and the effect on parachute drag. The slender body wake is thinner, closes earlier, and presents a smaller wake deficit. Thus, a parachute deployed in the wake of a slender body is more likely to see a higher dynamic pressure than a parachute deployed behind a blunt body. In the presence of a parachute, the interaction of the unsteady wake with the parachute bow shock is stronger behind the blunt body. Simulations yield highly unsteady forces on the parachute, which was modeled as a rigid body. The mean parachute force behind a slender body is between 3 and 12 percent higher than behind a blunt body, depending on the angle of the parachute with the flow. As the angle of incidence increases, more of the parachute moves out of the leading body wakes, decreasing the sensitivity to leading body shape. To compare the flow past parachutes in Earth's and Mars' atmospheres, simulations were also performed in CO2. At the Mach number considered (1.75), the shock standoff distance ahead of the parachute, post-shock jump conditions, and the resulting parachute forces were found to be very similar in both air and CO2, indicating that a high altitude test is a good proxy for a Mars descent. The results of these numerical simulations and available data on past flight and wind tunnel tests of supersonic Disk-Gap-Band parachutes behind slender bodies were used to generate a parachute drag model for ASPIRE, which in turn was used to help design the flight test. The first flight test occurred in October 2017. The parachute was successfully deployed at Mach 1.77 and an altitude of 42 kilometers. Test instrumentation provided the atmospheric conditions, test vehicle trajectory, and the loads on the parachute along with detailed high-resolution imagery of the inflation process. Reconstruction of the flight test indicated that the measured forces on the parachute were within the model's bounds, although the model over-predicted the parachute force during the first few seconds. The parachute forces during the long subsonic period were well-predicted by the ASPIRE drag model.

Muppidi, Suman↗
DOE OSTI2024

A machine-learning-aided data recovery approach for predicting multi-material thermal behaviors in advanced test reactor capsules

Instrumented experiments conducted at test reactors are essential to the deployment of new advanced reactor systems. Designing new experiments and generating data on specific reactor conditions require significant investments in terms of both time and cost. Finite element analysis software can be used to create high-fidelity models of experiment environments in order to support the actual experiments, but computation time remains a concern in terms of applying outcomes to real-time usage of data (e.g., a digital twin [DT]). Here, the present research proposes a machine-learning (ML) aided approach to making temperature and displacement predictions based on the thickness of the outer gas gap on the experimental capsule used for in-pile demonstration of a novel new thermal conductivity probe in the Advanced Test Reactor (ATR). This capsule consisted of U10Zr fuel, a rodlet, sodium, and inner and outer capsules. Gas gaps existed between the fuel and the rodlet, and between the inner and the outer capsule. The learning data pertained to an experimental capsule's radial distributions of temperature and displacement, as obtained based on Abaqus and the physical features. For the first step of ML sequence, the temperature was predicted using three positional parameters. Next, the displacement was predicted using seven additional parameters. Each physical feature was normalized in order to be both nondimensional and standardized. The temperature and displacement predictions showed good agreement with the simulation results in all cases involving interpolation and extrapolation. Furthermore, data similarity enhancement increased the similarity between the training and the target data, thereby increasing the predictive accuracy of the ML models. In certain extrapolation cases involving limited original ML model accuracy, data similarity enhancement and data recovery was able to somewhat improve this accuracy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2013

Human and Robotic Mission to Small Bodies: Mapping, Planning and Exploration

This study investigates the requirements, performs a gap analysis and makes a set of recommendations for mapping products and exploration tools required to support operations and scientific discovery for near- term and future NASA missions to small bodies. The mapping products and their requirements are based on the analysis of current mission scenarios (rendezvous, docking, and sample return) and recommendations made by the NEA Users Team (NUT) in the framework of human exploration. The mapping products that sat- isfy operational, scienti c, and public outreach goals include topography, images, albedo, gravity, mass, density, subsurface radar, mineralogical and thermal maps. The gap analysis points to a need for incremental generation of mapping products from low (flyby) to high-resolution data needed for anchoring and docking, real-time spatial data processing for hazard avoidance and astronaut or robot localization in low gravity, high dynamic environments, and motivates a standard for coordinate reference systems capable of describing irregular body shapes. Another aspect investigated in this study is the set of requirements and the gap analysis for exploration tools that support visualization and simulation of operational conditions including soil interactions, environment dynamics, and communications coverage. Building robust, usable data sets and visualisation/simulation tools is the best way for mission designers and simulators to make correct decisions for future missions. In the near term, it is the most useful way to begin building capabilities for small body exploration without needing to commit to specific mission architectures.

Neffian, Ara V.↗
DOE OSTI2024

Improving I/O-aware Workflow Scheduling via Data Flow Characterization and trade-off Analysis

The scientific computing paradigm has transitioned from compute-intensive to I/O-intensive and memory-intensive in the past decade, especially when data-driven science has become common practice. Numerous empirical I/O-aware scheduling optimizations have been developed by incorporating I/O capacity and bandwidth as constraints into scheduling. Unfortunately, there is a lack of data flow (I/O) characterization tool and an understanding of trade-offs between concurrency, locality, and I/O bandwidth. To bridge the gap, this work 1) presents a set of descriptors to characterize, organize, and visualize I/O profiles, including flow size, I/O bandwidth, and operation count, which group data flows by I/O types, tasks, and files; 2) proposes an I/O Roofline model-based trade-off analysis to find the optimal trade-off between flow operational intensity, concurrency, and flow performance. The I/O descriptors generate useful insights into complicated I/O behaviors, suggesting distinct concurrency, storage, and scheduling to be used by types, tasks, and files. The proposed trade-off analysis guides scheduling decisions that generate resource assignment with the best flow parallelism. We evaluate our I/O-aware scheduling methodology on a highly I/O-intensive workflow–1000 Genomes. The experimental results demonstrate speedups of up to 2.4× compared to the state-of-the- art methods.

Guo, Luanzheng [BATTELLE (PACIFIC NW LAB)]↗
NASA NTRSDate not supplied

Detection of CH 4 Hotspots from NASA’s GEOS Composition Analysis System

Recent research indicates that 8 to 12% of the global oil and gas production methane emissions could be attributed to ultra-emitters, which result in high concentration ‘hotspots’ near point sources. Identifying these emissions in near real time provides useful information to the policy makers and private industry, who are working to reduce their impact. To meet this need, scientists are increasingly analyzing satellite data from the TROPOspheric Monitoring Instrument (TROPOMI) instrument aboard ESA’s Sentinel 5-Precursor mission. While direct analysis of TROPOMI level 2 swath data has been successful in identifying some large emission events, identifying hotpots is challenging because of the imaging noise due to a variety of artifacts and limits in daily coverage. Here we explore possible methodologies to detect methane hotspots using a new, gap-filled, and temporally continuous methane product from NASA’s Goddard Earth Observing System (GEOS) Constituent Data Assimilation System (CoDAS), which assimilates column averaged methane mole fractions from the TROPOMI with capabilities to assimilate other remote sensing measurements. The CoDAS has been expanded from a heritage of stratospheric composition and carbon dioxide assimilation allowing for the support of regional modeling, validation with non-coincident operations, and merging variety of datasets. The current work mainly explores Observing System Simulation Experiments with methane GEOS simulations without assimilation to prepare the groundwork for further experiments with assimilated TROPOMI. First, known hotspots based on the known inventory are identified to demonstrate the capability of the system to point out emission hotspots. In the next step, a variety of machine learning techniques such as Self-Organizing Maps and Deep Learning are explored to automate detection of the plumes. Finally, a few approaches to quantify emissions from the identified hotspots are presented and are evaluated against the inventory. The effort is directed toward a future evaluation of the CoDAS based methane monitoring system’s ability to successfully detect and quantify hotspots.

Nikolay Balashov↗