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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

X-Ray Computed Tomography of Apollo Drive Tube 73001 as Part of the Apollo Next Generation Sample Analysis Program

Introduction: Starting in 2019, the Apollo Next Generation Sample Analysis (ANGSA) Program has enabled consortium studies of specially curated Apollo samples that were previously unstudied (or under studied). This program was intended as a participating scientist program for these Apollo samples, as well as a preparation for upcoming lunar sample return missions (e.g., Artemis). The work began with studies of unsealed core tube 73002 [1,2] that is the upper ~35 cm of an Apollo 17 double drive tube (~70 cm total depth) collected on the landslide deposit near Lara Crater at Station 3 in the Taurus Littrow Valley. More recently the program extended to the study of a variety of frozen Apollo 17 samples [3], as well as the gas extraction [4] and dissection [5] of 73001, the lower half of the station 3 double drive tube. Sample 73001 was sealed under vacuum on the Moon in a Core Sample Vacuum Container (CSVC). In this abstract we will examine the role of X-ray Computed Tomography (XCT) during the preliminary examination process for sealed core 73001, including: (1) engineering scans to aid in understanding the gas extraction process, (2) whole-core scanning prior to opening to inform extrusion and dissection work, and (3) individual particle scanning to characterize rock fragment lithologies for follow on studies. Methodology: Sample 73001 is a 33 cm long, 4 cm diameter regolith sample collected inside a lunar drive tube (~1 mm aluminum walls). That drive tube was sealed inside a 0.5 mm thick stainless steel (SS) CSVC. XCT scans for engineering purposes were done on the Nikon XTH 320 system at Johnson Space Center using the 225 kV multi-metal reflection source at 215 kV, 179 A, and a 38.49 m voxel size. Individual >4 mm particles separated from the core during processing (then triply sealed in Teflon bags) were also scanned at JSC using the 180 kV source at 90 kV, 33 A, and a 2.98 – 10.65 m voxel size. Whole-core scans were done at the University of Texas High-Resolution X-ray Computed Tomography Facility (UTCT) on the 225 kV reflection source on the North Star Imaging cabinet XCT system. These scans included: (1) a series of 9 overlapping super-resolution scans each covering a ~4 cm length of the tube at 190 kV, 180 µA, and a 12.9 µm voxel size and (2) a lower resolution continuous helical scan of the entire core at 190 kV, 180 µA, and a 51.8 µm voxel size. Progress and Results: Before piercing and extracting the gas from sample 73001, an XCT scan of the bottom portion of the CSVC was used to confirm the location of the Teflon cap on the inner drive tube and whether there was an “air” gap between the Teflon cap and the CSVC. This was to ensure the Teflon cap (which immobilized the soil inside the drive tube) was not accidentally pierced during gas extraction. Similarly, after piercing, the bottom and top portions of the CSVC were scanned in order to capture engineering knowledge about the results of the piercing process, as well as the metal knife edge vacuum seal (SS into an In-Ag alloy). Both scans will provide constraints on future work of this type, both for the design of tools used on the lunar surface during Artemis, as well as how we open future samples of this type. An unexpected finding from these engineering scans was that the device in the drive tube that immobilizes the regolith (the keeper) was not seated in the tube properly. This meant that (1) the drive tube could not be removed from the CSVC for the trip to UTCT, and (2) the procedure for opening and extruding the drive tube had to be modified. Had either of these things not been known prior to opening the CSVC, it could have led to an inability to XCT scan the whole core at high resolution and/or potential disruption of the core stratigraphy during extrusion. At UTCT, the entire length of the core was scanned at high resolution (12.9 microns per voxel). This scan serves multiple purposes: (1) A lower resolution (and uncorrected) version of these scans stitched together was used to help inform the processors of potential pitfalls during extrusion and dissection (voids, angular fragments at the edges of the sample, etc.); and (2) the full resolution corrected data will serve as the permanent in situ record of the stratigraphy of the sample and will enable future researchers to perform a variety of analyses. All 121 >4 mm particles separated during dissection pass 1 of sample 73001 have been individually scanned. These scans clearly show the lithology of each particle while keeping the particles in pristine condition (they are individually triply bagged in Teflon within our N2 purged processing cabinets). Because of the dust adhering to particle exteriors, it would otherwise be impossible to determine lithologies in a non-contaminating way. Thus far the types of lithologies seen in sample 73001 (e.g., regolith breccias, impact-melt breccias, agglutinates, and bas-alts) are similar to those previously identified in sample 73002 [2]. By the time of the meeting, all particles from all 3 dissection passes will have been scanned and statistics on the different lithologies in 73001 compiled. References: [1] Shearer et al. (2020) 51st LPSC, abstract 1181. [2] Zeigler et al. (2020) 51st LPSC, abstract 3023. [3] Kent et al. (2022) This Volume. [4] McDonald et al. (2022) European Lunar Symposium. [5] Gross et al (2022) This volume.

Moon↗
NASA NTRS1977

Measurement of vortex velocities over a wide range of vortex age, downstream distance and free stream velocity

A wind tunnel test was conducted to obtain vortex velocity signatures over a wide parameter range encompassing the data conditions of several previous researchers while maintaining a common instrumentation and test facility. The generating wing panel was configured with both a revolved airfoil tip shape and a square tip shape and had a semispan aspect of 4.05/1.0 with a 121.9 cm span. Free stream velocity was varied from 6.1 m/sec to 76.2 m/sec and the vortex core velocities were measured at locations 3, 6, 12, 24 and 48 chordlengths downstream of the wing trailing edge, yielding vortex ages up to 2.0 seconds. Wing pitch angles of 6, 8, 9 and 12 deg were investigated. Detailed surface pressure distributions and wing force measurements were obtained for each wing tip configuration. Correlation with vortex velocity data taken in previous experiments is good. During the rollup process, vortex core parameters appear to be dependent primarily on vortex age. Trending in the plateau and decay regions is more complex and the machanisms appear to be more unstable.

Rorke, J. B.↗
DOE OSTI2023

PhytoOracle: Scalable, modular phenomics data processing pipelines

As phenomics data volume and dimensionality increase due to advancements in sensor technology, there is an urgent need to develop and implement scalable data processing pipelines. Current phenomics data processing pipelines lack modularity, extensibility, and processing distribution across sensor modalities and phenotyping platforms. To address these challenges, we developed PhytoOracle (PO), a suite of modular, scalable pipelines for processing large volumes of field phenomics RGB, thermal, PSII chlorophyll fluorescence 2D images, and 3D point clouds. PhytoOracle aims to ( i ) improve data processing efficiency; ( ii ) provide an extensible, reproducible computing framework; and ( iii ) enable data fusion of multi-modal phenomics data. PhytoOracle integrates open-source distributed computing frameworks for parallel processing on high-performance computing, cloud, and local computing environments. Each pipeline component is available as a standalone container, providing transferability, extensibility, and reproducibility. The PO pipeline extracts and associates individual plant traits across sensor modalities and collection time points, representing a unique multi-system approach to addressing the genotype-phenotype gap. To date, PO supports lettuce and sorghum phenotypic trait extraction, with a goal of widening the range of supported species in the future. At the maximum number of cores tested in this study (1,024 cores), PO processing times were: 235 minutes for 9,270 RGB images (140.7 GB), 235 minutes for 9,270 thermal images (5.4 GB), and 13 minutes for 39,678 PSII images (86.2 GB). These processing times represent end-to-end processing, from raw data to fully processed numerical phenotypic trait data. Repeatability values of 0.39-0.95 (bounding area), 0.81-0.95 (axis-aligned bounding volume), 0.79-0.94 (oriented bounding volume), 0.83-0.95 (plant height), and 0.81-0.95 (number of points) were observed in Field Scanalyzer data. We also show the ability of PO to process drone data with a repeatability of 0.55-0.95 (bounding area).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Equilibrium Core Model for Micro Pebble Bed Reactors Using OpenMC

Estimating the equilibrium state for pebble bed reactors (PBRs) presents complex challenges as it requires simultaneous consideration of changes in the pebbles’ movement as well as their fuel compositions. Whereas traditional approaches use multigroup diffusion codes for neutronics calculations of PBRs’ equilibrium state, the double-heterogeneity of PBRs complicates neutron cross-section generation. Continuous-energy Monte Carlo (MC) methods are better suited for detailed PBR analysis because of their natural handling of double-heterogeneity, but they demand substantially more computational resources. Here, this study introduces a novel method for efficiently estimating the equilibrium state in small and micro PBRs with reduced computational cost. The method is anticipated to accelerate the processes of core design and performing parametric studies for utilizing advanced fuel and structural materials. The HTR-10 reactor design was used for validating the method’s predictions and evaluating its computational efficiency. When compared to reference calculation values from the literature, criticality (k-effective) was predicted to be approximately within the margin of error of the MC transport calculation, average core power density (in megawatts per cubic meter) was predicted within 2.5% relative error, and maximum thermal flux (10 13 n/cm 2 .s −1 ) was predicted within 1.8% relative error. The calculated inventory of fission products and fuel composition in the equilibrium core were within 15% and 16.6%, respectively, when compared to reported values from the literature. The difference is attributed to variance in the considered values of the core temperature, which was found to significantly affect the depletion analyses.

Equilibrium core↗
NASA NTRS2018

Parallelization of a Six Degree of Freedom Entry Vehicle Trajectory Simulation Using OpenMP and OpenACC

The art and science of writing parallelized software, using methods such as Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC), is dominated by computer scientists. Engineers and non-computer scientists looking to apply these techniques to their project applications face a steep learning curve, especially when looking to adapt their original single threaded software to run multi-threaded on graphics processing units (GPUs). There are significant changes in mindset that must occur; such as how to manage memory, the organization of instructions, and the use of if statements (also known as branching). The purpose of this work is twofold: 1) to demonstrate the applicability of parallelized coding methodologies, OpenMP and OpenACC, to tasks outside of the typical large scale matrix mathematics; and 2) to discuss, from an engineer’s perspective, the lessons learned from parallelizing software using these computer science techniques. This work applies OpenMP, on both multi-core central processing units (CPUs) and Intel® Xeon Phi™ 7210, and OpenACC on GPUs. These parallelization techniques are used to tackle the simulation of thousands of entry vehicle trajectories through the integration of six degree of freedom (DoF) equations of motion (EoM). The forces and moments acting on the entry vehicle, and used by the EoM, are estimated using multiple models of varying levels of complexity. Several benchmark comparisons are made on the execution of six DoF trajectory simulation: single thread Intel® Xeon® E5-2670 CPU, multi-thread CPU using OpenMP, multi-thread Xeon Phi™ 7210 using OpenMP, and multi-thread NVIDIA® Tesla® K40 GPU using OpenACC. These benchmarks are run on the Pleiades Supercomputer Cluster at the National Aeronautics and Space Administration (NASA) Ames Research Center (ARC), and a Xeon Phi™ 7210 node at NASA Langley Research Center (LaRC).

Green, Justin S.↗
DOE OSTI2024

A functional microbiome catalogue crowdsourced from North American rivers

Predicting elemental cycles and maintaining water quality under increasing anthropogenic influence requires knowledge of the spatial drivers of river microbiomes. However, understanding of the core microbial processes governing river biogeochemistry is hindered by a lack of genome-resolved functional insights and sampling across multiple rivers. Here we used a community science effort to accelerate the sampling, sequencing and genome-resolved analyses of river microbiomes to create the Genome Resolved Open Watersheds database (GROWdb). GROWdb profiles the identity, distribution, function and expression of microbial genomes across river surface waters covering 90% of United States watersheds. Specifically, GROWdb encompasses microbial lineages from 27 phyla, including novel members from 10 families and 128 genera, and defines the core river microbiome at the genome level. GROWdb analyses coupled to extensive geospatial information reveals local and regional drivers of microbial community structuring, while also presenting foundational hypotheses about ecosystem function. Building on the previously conceived River Continuum Concept, we layer on microbial functional trait expression, which suggests that the structure and function of river microbiomes is predictable. We make GROWdb available through various collaborative cyberinfrastructures, so that it can be widely accessed across disciplines for watershed predictive modelling and microbiome-based management practices.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Modes of Visual Recognition and Perceptually Relevant Sketch-based Coding for Images

A review of visual recognition studies is used to define two levels of information requirements. These two levels are related to two primary subdivisions of the spatial frequency domain of images and reflect two distinct different physical properties of arbitrary scenes. In particular, pathologies in recognition due to cerebral dysfunction point to a more complete split into two major types of processing: high spatial frequency edge based recognition vs. low spatial frequency lightness (and color) based recognition. The former is more central and general while the latter is more specific and is necessary for certain special tasks. The two modes of recognition can also be distinguished on the basis of physical scene properties: the highly localized edges associated with reflectance and sharp topographic transitions vs. smooth topographic undulation. The extreme case of heavily abstracted images is pursued to gain an understanding of the minimal information required to support both modes of recognition. Here the intention is to define the semantic core of transmission. This central core of processing can then be fleshed out with additional image information and coding and rendering techniques.

Jobson, Daniel J.↗
NASA NTRSDate not supplied

X-Ray Computed Tomography During Preliminary Examination of Apollo Drive Tube 73001

Introduction: Starting in 2019, the Apollo Next Generation Sample Analysis (ANGSA) Program has enabled consortium studies of specially curated Apollo samples that were previously unstudied (or under studied). This began with unsealed core tube 73002 [1,2] that is the upper part of a station 3 double drive tube. More recently the pro-gram extended to the study of a variety of frozen Apollo 17 samples [3], as well as the gas extraction [4] and dis-section [5] of 73001, the lower half of the station 3 double drive tube, that was sealed under vacuum on the Moon. In this abstract we will examine the role of X-ray Computed Tomography (XCT) during the preliminary examination process for sealed core 73001, including: (1) engineering scans to aid in understanding the gas extraction process, whole-core scanning prior to opening to inform extrusion and dissection work, and (3) individual particle scanning to characterize rock fragment lithologies for follow on studies. Methodology: Sample 73001 is a 33 cm long, 4 cm diameter regolith sample collected inside a drive tube (~1 mm aluminum walls). That drive tube was sealed inside a 0.5 mm thick stainless steel (SS) Core Sample Vacuum Container (CSVC). XCT scans for engineering purposes were done on the Nikon XTH 320 system at Johnson Space Center using the 225 kV multi-metal reflection source at 215 kV, 179 A, and a 38.49 m voxel size. Individual >4 mm particles separated from the core during processing (then triply sealed in Teflon bags) were also scanned at JSC using the 180 kV source at 90 kV, 33 A, and a 2.98 – 10.65 m voxel size. Whole-core scans were done at the University of Texas High-Resolution X-ray Computed Tomography Facility (UTCT) on the 225 kV reflection source on the North Star Imaging cabinet XCT system. These scans included: (1) a series of 9 overlapping super-resolution scans each covering a ~4 cm length of the tube at 190 kV, 180 µA, and a 12.9 µm voxel size and (2) a lower resolution continuous helical scan of the entire core at 190 kV, 180 µA, and a 51.8 µm voxel size. Progress and Results: Before piercing and extracting the gas from sample 73001, an XCT scan of the bottom portion of the CSVC was used to confirm the location of the Teflon cap on the inner drive tube, to ensure it was not accidentally pierced during gas extraction. Similarly, after piercing, the bottom and top portions of the CSVC were scanned in order to capture engineering knowledge about the results of the piercing process, as well as the metal knife edge vacuum seal (SS into In-Ag alloy). Both scans will provide constraints on future work of this type, particularly for samples collected during the Artemis mission. Another finding from these "engineering" scans was that the device in the drive tube that immobilizes the regolith (the keeper) was not seated in the tube properly. This meant that (1) the drive tube could not be removed from the CSVC for the trip to UTCT, and (2) the procedure for opening and extruding the drive tube had to be modified. Had either of these things not been known prior to opening the CSVC, it could have led to an inability to XCT scan the whole core at high resolution and/or potential disruption of the core stratigraphy during extrusion. At UTCT, the entire length of the core was scanned at high resolution (12.9 microns per voxel). This scan serves multiple purposes: (1) A lower resolution (and uncorrected) version of these scans stitched together was used to help inform the processors of potential pitfalls during extrusion and dissection; and (2) the full resolution corrected data will serve as the permanent in situ record of the stratigraphy of the sample and will enable future researchers to perform a variety of analyses. So far, 92 of the 121 >4 mm particles separated during dissection pass 1 of sample 73001 have been individually scanned. These scans clearly show the lithology of each particle while keeping the particles in pristine condition. Because of the dust adhering to particle exteriors it would otherwise be impossible to determine lithologies in a non-contaminating way. Thus far the types of lithologies seen in sample 73001 (e.g., regolith breccias, impact-melt breccias, agglutinates, and basalts) are similar to those previously identified in sample 73002 [2]. By the time of the meeting, all particles from all 3 dissection passes will have been scanned and statistics on the different lithologies in 73001 compiled. References: [1] Shearer et al. (2020) 51st LPSC, abstract 1181. [2] Zeigler et al. (2020) 51st LPSC, abstract 3023. [3] Kent et al. (2022) This Volume. [4] McDonald et al. (2022) European Lunar Symposium. [5] Gross et al (2022) This volume.

Moon↗
DOE OSTI2020

Using Community Science to Reveal the Global Chemogeography of River Metabolomes

River corridor metabolomes reflect organic matter (OM) processing that drives aquatic biogeochemical cycles. Recent work highlights the power of ultrahigh-resolution mass spectrometry for understanding metabolome composition and river corridor metabolism. However, there have been no studies on the global chemogeography of surface water and sediment metabolomes using ultrahigh-resolution techniques. Here, we describe a community science effort from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) consortium to characterize global metabolomes in surface water and sediment that span multiple stream orders and biomes. We describe the distribution of key aspects of metabolomes including elemental groups, chemical classes, indices, and inferred biochemical transformations. We show that metabolomes significantly differ across surface water and sediment and that surface water metabolomes are more rich and variable. We also use inferred biochemical transformations to identify core metabolic processes shared among surface water and sediment. Finally, we observe significant spatial variation in sediment metabolites between rivers in the eastern and western portions of the contiguous United States. Our work not only provides a basis for understanding global patterns in river corridor biogeochemical cycles but also demonstrates that community science endeavors can enable global research projects that are unfeasible with traditional research models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

SequenceL: Automated Parallel Algorithms Derived from CSP-NT Computational Laws

With the introduction of new parallel architectures like the cell and multicore chips from IBM, Intel, AMD, and ARM, as well as the petascale processing available for highend computing, a larger number of programmers will need to write parallel codes. Adding the parallel control structure to the sequence, selection, and iterative control constructs increases the complexity of code development, which often results in increased development costs and decreased reliability. SequenceL is a high-level programming language that is, a programming language that is closer to a human s way of thinking than to a machine s. Historically, high-level languages have resulted in decreased development costs and increased reliability, at the expense of performance. In recent applications at JSC and in industry, SequenceL has demonstrated the usual advantages of high-level programming in terms of low cost and high reliability. SequenceL programs, however, have run at speeds typically comparable with, and in many cases faster than, their counterparts written in C and C++ when run on single-core processors. Moreover, SequenceL is able to generate parallel executables automatically for multicore hardware, gaining parallel speedups without any extra effort from the programmer beyond what is required to write the sequen tial/singlecore code. A SequenceL-to-C++ translator has been developed that automatically renders readable multithreaded C++ from a combination of a SequenceL program and sample data input. The SequenceL language is based on two fundamental computational laws, Consume-Simplify- Produce (CSP) and Normalize-Trans - pose (NT), which enable it to automate the creation of parallel algorithms from high-level code that has no annotations of parallelism whatsoever. In our anecdotal experience, SequenceL development has been in every case less costly than development of the same algorithm in sequential (that is, single-core, single process) C or C++, and an order of magnitude less costly than development of comparable parallel code. Moreover, SequenceL not only automatically parallelizes the code, but since it is based on CSP-NT, it is provably race free, thus eliminating the largest quality challenge the parallelized software developer faces.

Cooke, Daniel↗
DOE OSTI2020

Effect of ATF Cr-coated-Zircaloy on BWR In-vessel Accident Progression during a Station Blackout

The deposition of protective coatings on nuclear fuel cladding has been considered as a near-term Accident Tolerant Fuel (ATF) concept that will reduce the high-temperature oxidation rate and enhance accident tolerance of the cladding while providing additional benefits during normal and transient. In this study, the performance of the proposed ATF concept of Cr-coated-Zircaloy is assessed using a generic Boiling Water Reactor MELCOR plant model considering a Short-term Station Blackout (STSBO) scenario. Simulation results indicate that the use of Cr-coated-Zircaloy as cladding and canister material mitigates the core degradation process as compared to the traditional Zircaloy cladding and canister design. The onset of fuel degradation and collapse is delayed by over thirty minutes, and the extent of fuel degradation is reduced. Specifically, the gross in-vessel hydrogen generation decreased by almost a factor of three. Although the eutectic reaction between Cr-coating and Zircaloy could cause an early failure of the coating, the improvement in the delay of fuel degradation is still notable. In addition, a thicker coating is found helpful to obtain additional coping time and to decrease hydrogen generation. In addition to the eutectic formation that may compromise Cr-coated Zr, a different failure mode is identified for the Cr-coated-Zr when compared to Zircaloy; i.e., a complete melt of base material leads to component collapse before the coating is oxidized and consumed. These findings can help the industry focus on productive areas of research and development for accident-tolerant fuel concepts and enhancement of core safety margins.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Material Interactions in Severe Accidents – Benchmarking the MELCOR V2.2 Eutectics Model for a BWR-3 Mark-I Station Blackout: Part II – Uncertainty Analysis

Single case comparisons between severe accident simulations can provide detailed insights into severe accident model behavior, however, they cannot offer insights into model uncertainty, sensitivity to uncertain parameters, or underlying model biases.Here in this analysis, the single case benchmark comparison of the MELCOR material interaction models for a station blackout (SBO) scenario of a boiling water reactor (BWR) using representative Fukushima Daiichi Unit 1 boundary conditions is expanded to include an uncertainty analysis. As part of this uncertainty analysis, 1200 simulations are performed for each material interaction model (2400 total), with random sampling of 14 uncertain MELCOR input parameters. Input parameters are selected for their impact on models representing core degradation processes. These include candling, fuel rod failure, debris quenching and dryout. The analysis performed here is not a traditional “best-estimate” uncertainty analysis that uses best-estimate parameters or identifies best-estimate figure of merit distributions. Instead, it is an exploratory uncertainty analysis that identifies and interrogates underlying model form biases of the two material interaction models (eutectics and interactive materials models). Uniform distributions are applied to all uncertain parameters to ensure coverage of the model parameter uncertainty space. Key findings from this study include underlying model form biases exhibited by material interaction models, and notable differences in accident progression outcomes between the material interaction models. This uncertainty study extends and confirms the conclusions from the first part of this study, which compared the impact of material interaction modeling on simulation of a short-term station blackout scenario with representative Fukushima Daiichi Unit I boundary conditions. In particular, this study confirms that the eutectics model generally exhibits accelerated degradation and failure of fuel components, the core plate, and the lower head. The eutectics model also has a tendency to exhibit a greater degree of core degradation, greater debris mass formation, and larger debris mass ejection. Finally, the eutectics model exhibits higher maximum temperatures for fuel, cladding, particulate debris, oxidic molten pool, and metallic molten pool components than the interactive materials model; interactive materials model simulations exhibit a soft “limitation” on maximum temperatures that is related to the temperature at which material relocation occurs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Equity and modeling in sustainability science: Examples and opportunities throughout the process

Equity is core to sustainability, but current interventions to enhance sustainability often fall short in adequately addressing this linkage. Models are important tools for informing action, and their development and use present opportunities to center equity in process and outcomes. This Perspective highlights progress in integrating equity into systems modeling in sustainability science, as well as key challenges, tensions, and future directions. We present a conceptual framework for equity in systems modeling, focused on its distributional, procedural, and recognitional dimensions. We discuss examples of how modelers engage with these different dimensions throughout the modeling process and from across a range of modeling approaches and topics, including water resources, energy systems, air quality, and conservation. Synthesizing across these examples, we identify significant advances in enhancing procedural and recognitional equity by reframing models as tools to explore pluralism in worldviews and knowledge systems; enabling models to better represent distributional inequity through new computational techniques and data sources; investigating the dynamics that can drive inequities by linking different modeling approaches; and developing more nuanced metrics for assessing equity outcomes. We also identify important future directions, such as an increased focus on using models to identify pathways to transform underlying conditions that lead to inequities and move toward desired futures. By looking at examples across the diverse fields within sustainability science, we argue that there are valuable opportunities for mutual learning on how to use models more effectively as tools to support sustainable and equitable futures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Climate Change Impacts on the South American Monsoon System and Its Surface–Atmosphere Processes Through RegCM4 CORDEX-CORE Projections

Here, we evaluate projected changes in surface water and energy balances and surface–atmosphere coupling in the South American Monsoon System (SAMS) for the end of the century (2080–2099). The analyses are based on two ensemble datasets, which follow Representative Concentration Pathway 8.5 in the future period, and cover four subdomains (Northern and Southern—NAMZ and SAMZ—Amazon, La Plata Basin—LPB, and Southern Southeast Brazil—SSB). One ensemble consists of three Global Climate Models (HadGEM2-ES, MPI-ESM-MR and NorESM1-M), while the other consists of their dynamically downscaled version at 25 km horizontal grid spacing using Regional Climate Model version 4 (RegCM4). As both ensembles are able in reproducing the annual cycle of the components of the surface water and energy balances in the present climate, they can be used in the study of future climate. During the wet season (November–March), both ensembles project a decrease in precipitation over NAMZ and SAMZ (an exception is RegCM4 that projects a slight increase in SAMZ), and an increase across the LPB and SSB. These changes do not cause retreat or expansion of the monsoon area over the continent, which is similar to the present climate (1995–2014). For the wet season, the ensembles are in line with the presence of a strong surface–atmosphere coupling in LPB and SSB, weak coupling in SAMZ and very weak coupling in NAMZ. For future climate, the coupling is even weaker in NAMZ, which may be a driver for the negative changes in precipitation. For the other subdomains, while the ensembles project similar signals of precipitation changes, they disagree with the surface-atmosphere coupling highlighting the uncertainties in future climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Portable chemical detection platform for on-site monitoring of odorant levels in natural gas

The adequate odorization of natural gas is critical to identify gas leaks and to reduce accidents. To ensure odorization, natural gas utility companies collect samples to be processed at core facilities or a trained human technician smells a diluted natural gas sample. In this work, we report a detection platform that addresses the lack of mobile solutions capable of providing quantitative analysis of mercaptans, a class of compounds used to odorize natural gas. Detailed description of the platform hardware and software components is provided. Designed to be portable, the platform hardware facilitates extraction of mercaptans from natural gas, separation of individual mercaptan species, and quantification of odorant concentration, with results reported at point-of-sampling. The software was developed to accommodate skilled users as well as minimally trained operators. Detection and quantification of six commonly used mercaptan compounds (ethyl mercaptan, dimethyl sulfide, n-propylmercaptan, isopropyl mercaptan, tert–butyl mercaptan, and tetrahydrothiophene) at typical odorizing concentrations of 0.1–5 ppm was performed using the device. We demonstrate the potential of this technology to ensure natural gas odorizing concentrations throughout distribution systems.

03 NATURAL GAS↗
DOE OSTI2023

Residual estimation for grid modification in wall-modeled large eddy simulation using unstructured high-order methods

Here, the accuracy and computational cost of a large eddy simulation are highly dependent on the computational grid. Building optimal grids manually from a priori knowledge is not feasible in most practical use cases; instead, solution-adaptive strategies can provide a robust and cost-efficient method to generate a grid with the desired accuracy. We adapt the residual estimation algorithm developed by Toosi and Larsson for Discontinuous Galerkin Spectral Elements Methods (DGSEM) to guide the grid-adaptation process. The core of the method is the computation of the estimated modeling residual using the polynomial basis functions used in DGSEM, and the averaging of the estimated residual over each element. The final method is assessed in multiple channel flow test cases and for the transonic flow over an airfoil, in both cases making use of mortar interfaces between elements with hanging nodes. The method is found to be robust and reliable, and to provide solutions on grids with significantly fewer elements at comparable accuracy compared to when using human-generated grids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ON-OFF neuromorphic ISING machines using Fowler-Nordheim annealers

We introduce NeuroSA, a neuromorphic architecture specifically designed to ensure asymptotic convergence to the ground state of an Ising problem using a Fowler-Nordheim quantum mechanical tunneling based threshold-annealing process. The core component of NeuroSA consists of a pair of asynchronous ON-OFF neurons, which effectively map classical simulated annealing dynamics onto a network of integrate-and-fire neurons. The threshold of each ON-OFF neuron pair is adaptively adjusted by an FN annealer and the resulting spiking dynamics replicates the optimal escape mechanism and convergence of SA, particularly at low-temperatures. To validate the effectiveness of our neuromorphic Ising machine, we systematically solved benchmark combinatorial optimization problems such as MAX-CUT and Max Independent Set. Across multiple runs, NeuroSA consistently generates distribution of solutions that are concentrated around the state-of-the-art results (within 99%) or surpass the current state-of-the-art solutions for Max Independent Set benchmarks. Furthermore, NeuroSA is able to achieve these superior distributions without any graph-specific hyperparameter tuning. For practical illustration, we present results from an implementation of NeuroSA on the SpiNNaker2 platform, highlighting the feasibility of mapping our proposed architecture onto a standard neuromorphic accelerator platform.

42 ENGINEERING↗