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At least 649 records · Page 36

Developing Uintah's Runtime System for Forthcoming Architectures

The need to solve ever-more complex science and engineering problems on computer architectures that are rapidly evolving poses considerable challenges for modern simulation frameworks and packages. While the decomposition of software into a programming model that generates a task-graph for execution by a runtime system make portability and performance possible, it also imposes considerable demands on that runtime system. Here, the challenge of meeting those demands for near-term and longer term systems in the context of the Uintah framework is considered in key areas such as support for data structures, tasks on heterogeneous architectures, performance portability, power management and designing for resilience by the use of replication based upon adaptive mesh refinement processes is addressed. Examples of techniques in these areas are used to illustrate performance improvements obtained for present large-scale systems and the needs of proposed systems considered.

97 MATHEMATICS AND COMPUTING↗

Mitovirus and Mitochondrial Coding Sequences from Basal Fungus Entomophthora muscae

Fungi constituting the Entomophthora muscae species complex (members of subphylum Entomophthoromycotina, phylum Zoopagamycota) commonly kill their insect hosts and manipulate host behaviors in the process. In this study, we made use of public transcriptome data to identify and characterize eight new species of mitoviruses associated with several different E. muscae isolates. Mitoviruses are simple RNA viruses that replicate in host mitochondria and are frequently found in more phylogenetically apical fungi (members of subphylum Glomeromyoctina, phylum Mucoromycota, phylum Basidiomycota and phylum Ascomycota) as well as in plants. E. muscae is the first fungus from phylum Zoopagomycota, and thereby the most phylogenetically basal fungus, found to harbor mitoviruses to date. Multiple UGA (Trp) codons are found not only in each of the new mitovirus sequences from E. muscae but also in mitochondrial core-gene coding sequences newly assembled from E. muscae transcriptome data, suggesting that UGA (Trp) is not a rarely used codon in the mitochondria of this fungus. The presence of mitoviruses in these basal fungi has possible implications for the evolution of these viruses.

59 BASIC BIOLOGICAL SCIENCES↗

Investigation of thermolytic hydrogen generation rate of tank farm simulated and actual waste

To support resolution of Potential Inadequacies in the Safety Analysis for the Savannah River Site (SRS) Tank Farm, Savannah River National Laboratory conducted research to determine the thermolytic hydrogen generation rate (HGR) with simulated and actual waste. Gas chromatography methods were developed and used with air-purged flow systems to quantify hydrogen generation from heated simulated and actual waste at rates applicable to the Tank Farm Documented Safety Analysis (DSA). Initial simulant tests with a simple salt solution plus sodium glycolate demonstrated the behavior of the test apparatus by replicating known HGR kinetics. Additional simulant tests with the simple salt solution excluding organics apart from contaminants provided measurement of the detection and quantification limits for the apparatus with respect to hydrogen generation. Testing included a measurement of HGR on actual SRS tank waste from Tank 38. A final series of measurements examined HGR for a simulant with the most common SRS Tank Farm organics at temperatures up to 140 °C. The following conclusions result from this testing. HGR was measured for an actual-waste Tank 38 sample. The HGR measurements at 80, 90, 100, and 110 °C were 1.7×10 -7 , 4.7×10 -7 , 5.9×10 -7 , and 2.6×10 -6 ft 3 hr -1 gal -1 , respectively. The Limit of Detection and Limit of Quantification for the HGR measurements were 2.6×10-8 ft3 hr-1 gal-1 and 5.1×10 -8 ft 3 hr -1 gal -1 , respectively. HGR was measured in a high boiling point (HBP) simulant with major known SRS Tank Farm organic compounds. Testing used fresh organics and did not simulate the long-term exposure of these organics already experienced in the waste. Hence, testing is expected to provide high bias to the hydrogen generation rates. The final HGR measurements at 75, 100, and 140 °C were 6.2×10 -7 , 3.0×10 -6 , and 8.1×10 -5 ft 3 hr -1 gal -1 , respectively. Decreases in the HGR were noted at isothermal conditions with steady gas tracer concentration, which clouds development of a temperature dependent correlation for generation rate. While the simulant contains high concentrations of major SRS organics tested at high temperatures found in the 3H Evaporator, this limited data set may not fully bound values under all possible operating conditions. The HGR measurement apparatus was successfully employed to replicate hydrogen production rate experiments. Simulant without deliberately added organic carbon was found to contain approximately 200 mg/L of organic carbon from tramp organics in the reagents used to prepare the solution. The tests using such simulant generated hydrogen at rates consistent with, but somewhat lower than, those predicted at equivalent carbon and aluminum loadings by methods used at the Hanford Site. Prior to identifying the organic contaminants, potential sources of hydrogen in simulants without deliberately added organic carbon were examined. Testing determined that this hydrogen is not due to caustic reaction of organic materials of construction within the reaction vessel, electrolysis due to current leak, anode/cathode reactions, corrosion, or the method of heating employed in the experiment. During the HBP and Tank 38 testing, a peak was identified at a retention time greater than the retention time of the inert tracer of krypton. This peak has been identified as methane, and the data have been reexamined to obtain methane concentrations. For the HBP testing, methane concentration was constant at the highest temperature studied (140 °C) and higher than hydrogen. At the lower temperatures (100 and 75 °C), methane and hydrogen tracked closely, with methane concentration generally lower than hydrogen. For Tank 38, methane concentration was approximately 1/3 of the hydrogen concentration during testing (100 and 110 °C). At lower temperatures for Tank 38 testing (90, 80, and 27 °C), methane fell below the quantification range.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Data Driven Smart Proxy for CFD Application of Big Data Analytics & Machine Learning in Computational Fluid Dynamics, Part Three: Model Building at the Layer Level

To ensure the usefulness of simulation technologies in practice, their credibility needs to be established with Uncertainty Quantification (UQ) methods. In this project smart proxy is introduced to significantly reduce the computational cost of conducting large number of multiphase CFD simulations. Smart proxy for CFD models are developed using pattern recognition capabilities of Artificial Intelligence (AI), Machine Learning (LM) and Data Mining (DM) technologies. Several CFD simulation runs with different inlet air velocities for a rectangular fluidized bed are used to create a smart CFD proxy that is capable of replicating the CFD results for a wide variety of inlet velocities. The smart CFD proxy is validated with blind CFD runs (CFD runs that have not played any role during the development [training, calibration and validation] of the smart CFD proxy). In our earlier work, CFD data was used to train ANN at the cell level. That is an ANN was trained for each computational cell used in the CFD simulations. In the present work, the ANN is constructed and trained based on cross sectional area average of each variable, such as pressure, velocities and volume fraction (Layer Level). This leads to improvements in the training time at the expense of less spatial resolution. The resulting trained ANN provides spatially average value of parameters of interest, along the length of the fluidized bed. Upon completion of this project, UQ studies that rely on hundreds or thousands of smart CFD proxy runs can be accomplished in minutes. Following figure demonstrates a validation example (blind CFD run) showing the results from the MFiX and the smart CFD proxy for pressure drop across a fluidized bed at time-step of 1400 (the layer number corresponds to the vertical location in the bed).

97 MATHEMATICS AND COMPUTING↗

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between vapor and liquid phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved autogenous pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures and temperatures agree well with experimental data, whereas the pressurant mass predictions are within 16% of observed values. This study emphasizes the importance of selecting appropriate turbulence models to accurately simulate the complex flow and heat transfer phenomena during tank autogenous pressurization and expulsion. By improving the accuracy and reliability of CFD models for these processes, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗

First study of polarized proton-proton scattering with small-𝑥 helicity evolution

We perform a phenomenological study of helicity-dependent parton distribution functions (PDFs) using small-𝑥 helicity evolution equations, incorporating for the first time single-inclusive jet production data in polarized proton-proton (𝑝⁢𝑝) scattering at parton momentum fractions 𝑥 <0.1. We also simultaneously include double-longitudinal spin asymmetries in inclusive and semi-inclusive deep-inelastic scattering probing 𝑥 <0.1. Employing the polarized small-𝑥 pure-glue calculation of 𝑝⁢𝑝 → 𝑔⁡𝑋 for the jet production cross section, we modify the large-𝑁 𝑐 &𝑁 𝑓 KPS-CTT evolution equations by setting 𝑁 𝑓 = 0 to replicate the large-𝑁𝑐 (pure-glue) limit, while retaining external quark flavors for the spinor field operators. We find that the 𝑝⁢𝑝 data have a considerable impact on the helicity PDFs at small 𝑥, reducing their uncertainties and leading to a total quark and gluon helicity in the proton for 𝑥 < 0.1 of −0.04 ±0.23. Combining our analysis with a recent JAM helicity PDF analysis of the world polarized data, which includes 𝑥 > 0.1, we find a total quark and gluon helicity contribution for 𝑥 >10 −7 of between 0.02 and 0.51.

Adamiak, Daniel [Michigan State University] (ORCID↗

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between liquid and vapor phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures, temperatures, and pressurant requirements agree with experimental data, with pressurant mass predictions within 16\% of observed values. This study highlights the importance of selecting appropriate turbulence models to accurately simulate complex flow and heat transfer phenomena during tank pressurization and expulsion. By enhancing the accuracy and reliability of CFD models for liquid hydrogen under cryogenic conditions, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗

On the thermal oxidation of nuclear graphite relevant to high-temperature gas cooled reactors

Thermal oxidation of nuclear graphite components is highly undesirable because it can cause structural and property degradation that negatively affect a reactor's intended operation. In this work, the body of knowledge of nuclear graphite oxidation is highlighted, including when O 2 , H 2 O, and/or CO 2 are the oxidant. Oxidation conditions relevant to high-temperature gas-cooled reactors (i.e., when oxidation could occur either as an acute or chronic phenomenon) are emphasized. Here, the objective is to summarize graphite oxidation data in a practical and accessible way to inform future research and regulatory requirements. Although each grade of nuclear graphite is different, the oxidation mechanism has underlying commonalities. Although oxidation behavior is grade dependent, the general temperature dependence is well described by a sequence of elementary steps which become rate limiting. Because the regime transition temperature depends on sample microstructure, size, and oxidant supply rate, extrapolating results beyond the experimental range should be done cautiously. Gravimetric oxidation rate measurements generally replicate well. However, caution must be exercised when rates are estimated by other methods or for samples that deviate significantly in size. Air oxidation data for IG-110, NBG-18, and PCEA graphite is critically reviewed to emphasize this point. Despite the amount of experimental data, gaps remain. Sample size and shape effects are not fully explained. Data on the oxidant penetration depth are insufficient. Analytical assessments demonstrate that lower temperature oxidation does not necessarily imply that oxidation is uniform throughout the bulk. Oxidation occurs faster at higher temperature but is more localized to the exposed surface. Paradoxically, at equal mass loss percentage, low temperature oxidation leads to greater property degradation than at high temperature. The isolated effect of oxidation is important; however, a gap remains in the systematic understanding of any potential effect of neutron irradiation on graphite structure and reactivity.

36 MATERIALS SCIENCE↗

Within-Tunnel Variations in Pressure Data for Three Transonic Wind Tunnels

This paper compares the results of pressure measurements made on the same test article with the same test matrix in three transonic wind tunnels. A comparison is presented of the unexplained variance associated with polar replicates acquired in each tunnel. The impact of a significance component of systematic (not random) unexplained variance is reviewed, and the results of analyses of variance are presented to assess the degree of significant systematic error in these representative wind tunnel tests. Total uncertainty estimates are reported for 140 samples of pressure data, quantifying the effects of within-polar random errors and between-polar systematic bias errors.

DeLoach, Richard↗

Two decades of fumigation data from the Soybean Free Air Concentration Enrichment facility

Abstract The Soybean Free Air Concentration Enrichment (SoyFACE) facility is the longest running open-air carbon dioxide and ozone enrichment facility in the world. For over two decades, soybean, maize, and other crops have been exposed to the elevated carbon dioxide and ozone concentrations anticipated for late this century. The facility, located in East Central Illinois, USA, exposes crops to different atmospheric concentrations in replicated octagonal ~280 m 2 Free Air Concentration Enrichment (FACE) treatment plots. Each FACE plot is paired with an untreated control (ambient) plot. The experiment provides important ground truth data for predicting future crop productivity. Fumigation data from SoyFACE were collected every four seconds throughout each growing season for over two decades. Here, we organize, quality control, and collate 20 years of data to facilitate trend analysis and crop modeling efforts. This paper provides the rationale for and a description of the SoyFACE experiments, along with a summary of the fumigation data and collation process, weather and ambient data collection procedures, and explanations of air pollution metrics and calculations.

60 APPLIED LIFE SCIENCES↗

A phosphatidylinositol transfer protein integrates phosphoinositide signaling with lipid droplet metabolism to regulate a developmental program of nutrient stress-induced membrane biogenesis

Lipid droplet (LD) utilization is an important cellular activity that regulates energy balance and release of lipid second messengers. Because fatty acids exhibit both beneficial and toxic properties, their release from LDs must be controlled. Here we demonstrate that yeast Sfh3, an unusual Sec14-like phosphatidylinositol transfer protein, is an LD-associated protein that inhibits lipid mobilization from these particles. We further document a complex biochemical diversification of LDs during sporulation in which Sfh3 and select other LD proteins redistribute into discrete LD subpopulations. The data show that Sfh3 modulates the efficiency with which a neutral lipid hydrolase-rich LD subclass is consumed during biogenesis of specialized membrane envelopes that package replicated haploid meiotic genomes. These results present novel insights into the interface between phosphoinositide signaling and developmental regulation of LD metabolism and unveil meiosis-specific aspects of Sfh3 (and phosphoinositide) biology that are invisible to contemporary haploid-centric cell biological, proteomic, and functional genomics approaches.

59 BASIC BIOLOGICAL SCIENCES↗

A Framework for Model Validation and Calibration of Microgrid Components Using PMU Data

This paper presents a framework for phasor measurement-based component model validation and calibration islanded microgrids, with emphasis on grid-forming inverters. Real measurements from the Plum Island microgrid facility are used to calibrate the model of a commercial inverter in the open-source phasor-based distribution system simulator GridLAB-D.Limitations of current distribution system simulators in replicating the behavior of commercial inverters are also identified.

microgrid, Synchrophasor data, model validation↗

Simplified Abrasion Test Methodology for Candidate EVA Glove Lay-Ups

During the Apollo Program, space suit outer‐layer fabrics were badly abraded after performing just a few extravehicular activities (EVAs). For example, the Apollo 12 commander reported abrasive wear on the boots that penetrated the outer‐layer fabric into the thermal protection layers after less than 8 hrs of surface operations. Current plans for the exploration planetary space suits require the space suits to support hundreds of hours of EVA on a lunar or Martian surface, creating a challenge for space suit designers to utilize materials advances made over the last 40 years and improve on the space suit fabrics used in the Apollo Program. Over the past 25 years the NASA Johnson Space Center Crew and Thermal Systems Division has focused on tumble testing as means of simulating wear on the outer layer of the space suit fabric. Most recently, in 2009, testing was performed on 4 different candidate outer layers to gather baseline data for future use in design of planetary space suit outer layers. In support of the High Performance EVA Glove Element of the Next Generation Life Support Project, testing a new configuration was recently attempted in which require 10% of the fabric per replicate of that need in 2009. The smaller fabric samples allowed for reduced per sample cost and flexibility to test small samples from manufacturers without the overhead to have a production run completed. Data collected from this iteration was compared to that taken in 2009 to validate the new test method. In addition the method also evaluated the fabrics and fabric layups used in a prototype thermal micrometeoroid garment (TMG) developed for EVA gloves under the NASA High Performance EVA Glove Project. This paper provides a review of previous abrasion studies on space suit fabrics, details methodologies used for abrasion testing in this particular study, results of the validation study, and results of the TMG testing.

Rabel, Emily↗

Data for Intra- and inter-annual variability of nitrification in the rhizosphere of field-grown bioenergy sorghum

These data were collected in 2018 and 2019 at the University of Illinois Energy Farm (N 40.063607, W 88.206926). During each growing season, bulk and rhizosphere soil were collected from replicate Sorghum bicolor nitrogen use efficiency trial plots at three separate time points (approximately July 1, August 1, and September 1). We measured soil moisture, pH, soil nitrate and ammonium, potential nitrification, potential denitrification, and extracted and sequenced the V4 region of the 16S rRNA gene for microbial community analysis. All microbial sequence data is archived in the National Center for Biotechnology Information’s (NCBI) Sequence Read Archive (accession number SRP326979, project number PRJNA741261).

bioenergy↗

Quantitative 3-D imaging topogrammetry for telemedicine applications

The technology to reliably transmit high-resolution visual imagery over short to medium distances in real time has led to the serious considerations of the use of telemedicine, telepresence, and telerobotics in the delivery of health care. These concepts may involve, and evolve toward: consultation from remote expert teaching centers; diagnosis; triage; real-time remote advice to the surgeon; and real-time remote surgical instrument manipulation (telerobotics with virtual reality). Further extrapolation leads to teledesign and telereplication of spare surgical parts through quantitative teleimaging of 3-D surfaces tied to CAD/CAM devices and an artificially intelligent archival data base of 'normal' shapes. The ability to generate 'topogrames' or 3-D surface numerical tables of coordinate values capable of creating computer-generated virtual holographic-like displays, machine part replication, and statistical diagnostic shape assessment is critical to the progression of telemedicine. Any virtual reality simulation will remain in 'video-game' realm until realistic dimensional and spatial relational inputs from real measurements in vivo during surgeries are added to an ever-growing statistical data archive. The challenges of managing and interpreting this 3-D data base, which would include radiographic and surface quantitative data, are considerable. As technology drives toward dynamic and continuous 3-D surface measurements, presenting millions of X, Y, Z data points per second of flexing, stretching, moving human organs, the knowledge base and interpretive capabilities of 'brilliant robots' to work as a surgeon's tireless assistants becomes imaginable. The brilliant robot would 'see' what the surgeon sees--and more, for the robot could quantify its 3-D sensing and would 'see' in a wider spectral range than humans, and could zoom its 'eyes' from the macro world to long-distance microscopy. Unerring robot hands could rapidly perform machine-aided suturing with precision micro-sewing machines, splice neural connections with laser welds, micro-bore through constricted vessels, and computer combine ultrasound, microradiography, and 3-D mini-borescopes to quickly assess and trace vascular problems in situ. The spatial relationships between organs, robotic arms, and end-effector diagnostic, manipulative, and surgical instruments would be constantly monitored by the robot 'brain' using inputs from its multiple 3-D quantitative 'eyes' remote sensing, as well as by contact and proximity force measuring devices. Methods to create accurate and quantitative 3-D topograms at continuous video data rates are described.

Altschuler, Bruce R.↗

The influence of permeability anisotropy in the upper ocean crust on advective heat transport by a ridge-flank hydrothermal system

Here, in this study, we highlight the importance of permeability anisotropy on the hydrogeological regime of a ridge-flank hydrothermal system. Our study site, North Pond, is a marine sediment pond on ~8 Ma seafloor in the North Atlantic, and represents a low-temperature, end-member ridge-flank hydrothermal system. Previous simulations of North Pond elucidated long-standing hypotheses concerning hydrothermal fluid and heat transport in the upper volcanic crust but failed to fully explain observed patterns of seafloor heat flux in this area. Here we use variography, a geostatistical method, to quantify relations between seafloor heat-flux measurements, and coupled numerical simulations of fluid and heat flow to simulate the hydrogeologic regime. Directional variography shows that heat-flux observations are correlated along-strike of the regional crustal fabric. Three-dimensional simulations that include permeability anisotropy are able to replicate seafloor heat-flux patterns across North Pond. The simulations that result in the best match to thermal data incorporate permeability anisotropy in the horizontal plane. We find that the feedback between permeability anisotropy and the asymmetric geometry of North Pond combine to promote advective removal of heat and mass within the crustal aquifer. These findings suggest that permeability anisotropy in the oceanic crust may influence ridge-flank hydrothermal circulation more broadly.

58 GEOSCIENCES↗

AdjointBackMapV2: Precise reconstruction of arbitrary CNN unit’s activation via adjoint operators

Adjoint operators have been found to be effective in the exploration of CNN’s inner workings (Wan and Choe, 2022). However, the previous no-bias assumption restricted its generalization. We overcome the restriction via embedding input images into an extended normed space that includes bias in all CNN layers as part of the extended space and propose an adjoint-operator-based algorithm that maps high-level weights back to the extended input space for reconstructing an effective hypersurface. Such hypersurface can be computed for an arbitrary unit in the CNN, and here we prove that this reconstructed hypersurface, when multiplied by the original input (through an inner product), will precisely replicate the output value of each unit. We show experimental results based on the CIFAR-10 and CIFAR-100 data sets where the proposed approach achieves near 0 activation value reconstruction error.

97 MATHEMATICS AND COMPUTING↗

Moisture modulates soil reservoirs of active DNA and RNA viruses

Abstract Soil is known to harbor viruses, but the majority are uncharacterized and their responses to environmental changes are unknown. Here, we used a multi-omics approach (metagenomics, metatranscriptomics and metaproteomics) to detect active DNA viruses and RNA viruses in a native prairie soil and to determine their responses to extremes in soil moisture. The majority of transcribed DNA viruses were bacteriophage, but some were assigned to eukaryotic hosts, mainly insects. We also demonstrated that higher soil moisture increased transcription of a subset of DNA viruses. Metaproteome data validated that the specific viral transcripts were translated into proteins, including chaperonins known to be essential for virion replication and assembly. The soil viral chaperonins were phylogenetically distinct from previously described marine viral chaperonins. The soil also had a high abundance of RNA viruses, with highest representation of Reoviridae . Leviviridae were the most diverse RNA viruses in the samples, with higher amounts in wet soil. This study demonstrates that extreme shifts in soil moisture have dramatic impacts on the composition, activity and potential functions of both DNA and RNA soil viruses.

59 BASIC BIOLOGICAL SCIENCES↗