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At least 739 records · Page 41

GOME Calibration and Validation Using Backscatter UV Techniques

GOME radiance, irradiance, and ozone products were validated by NASA Goddard Space Flight Center through three tasks which included, pre-launch calibration comparisons with SBUV and TOMS radiometric standards, validation of GOME Level-1 irradiance and radiance and Level 2 total ozone data products using SBUV/2 and TOMS algorithms and data, and studies of GOME data using the Goddard radiative transfer code. The prelaunch calibration using the NASA large aperture integrating sphere was checked against that provided by TPD. Agreement in the calibration constants, derived in air, between the Goddard and TPD system were better than 3%. Validation of Level-1 irradiance data included comparison of GOME and SSBUV and the UARS solar irradiances measurements. Large wavelength dependent differences, as high as 10%, were noted between GOME and the US instruments. This discrepancy has now been attributed to radiometric sensitivity changes experienced by GOME when operating in a vacuum. GOME Earth radiance data were then compared to the NOAA-14 SBUV/2 radiances. These results show that between 340 and 400 nm the differences in GOME and SBUV/2 data are less than 5% with some wavelength dependence. At wavelengths shorter than 300 nm, differences are of the order of 10% or more where the GOME radiances are larger. To test GOME DOAS retrieved total ozone values, these values were compared with ozone amounts retrieved using GOME radiances in the TOMS version-7 algorithm. The differences showed a solar zenith angle dependence ranging from 0 to 10% where the TOMS algorithm values were higher. GOME radiances below 300 nm were further validated by selecting radiances at wavelengths normally used by SBUV and processing them through the SBUV ozone profile algorithm and then compared to climatological values. The GOME ozone profiles ranged from 10-30% lower over altitude compared to climatological values. This is consistent with the offsets detected in the SBUV/2 radiance comparisons at wavelengths shorter than 300 nm.

Hilsenrath, E.↗

History of the Nuclei Important for Cosmochemistry

An essential aspect of studying the nuclei important for cosmochemistry is their production in stars. Over the grant period, we have further developed the Clemson/American University of Beirut stellar evolution code. Through use of a biconjugate-gradient matrix solver, we now routinely solve l0(exp 6) x l0(exp 6) sparse matrices on our desktop computers. This has allowed us to couple nucleosynthesis and convection fully in the 1-D star, which, in turn, provides better estimates of nuclear yields when the mixing and nuclear burning timescales are comparable. We also have incorporated radiation transport into our 1-D supernova explosion code. We used the stellar evolution and explosion codes to compute iron abundances in a 25 Solar mass star and compared the results to data from RIMS.

Meyer, Bradley S.↗

Multidisciplinary High-Fidelity Analysis and Optimization of Aerospace Vehicles: Preliminary Results - Part 2

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity finite-element structural analysis and computational fluid dynamics aerodynamic analysis in a distributed, heterogeneous computing environment that includes high performance parallel computing. A software system has been designed and implemented to integrate a set of existing discipline analysis codes, some of them computationally intensive, into a distributed computational environment for the design of a high-speed civil transport configuration. The paper describes both the preliminary results from implementing and validating the multidisciplinary analysis and the results from an aerodynamic optimization. The discipline codes are integrated by using the Java programming language and a Common Object Request Broker Architecture compliant software product. A companion paper describes the formulation of the multidisciplinary analysis and optimization system.

Walsh, J. L.↗

Technology Infusion of CodeSonar into the Space Network Ground Segment (RII07)

The NASA Software Assurance Research Program (in part) performs studies as to the feasibility of technologies for improving the safety, quality, reliability, cost, and performance of NASA software. This study considers the application of commercial automated source code analysis tools to mission critical ground software that is in the operations and sustainment portion of the product lifecycle.

Benson, Markland↗

Mechanisms of Ionospheric Mass Ejection

Ionospheric outflows are directly responsive to solar wind disturbances, particularly in the dayside auroral cusp or cleft regions. Inputs of both electromagnetic energy (Poynting flux) and kinetic energy (particle precipitation) are closely correlated with these outflows. We assess the importance of processes thought to drive ionospheric outflows. These begin with the diffuse effects of photoionization and thermal equilibrium of the ionospheric topside, enhancing Jeans' escape, with ambipolar diffusion and acceleration. Auroral outflows begin with dayside reconnexion and resultant field-aligned currents and driven convection. These produce plasmaspheric plumes, collisional heating and wave-particle interactions, centrifugal acceleration, and auroral acceleration by parallel electric fields, including enhanced ambipolar fields from electron heating by precipitation particles. Solar wind energy dissipation is concentrated by the geomagnetic field into auroral regions with an amplification factor of 10-100, enhancing heavy species plasma and gas escape from gravity, and providing more current carrying capacity. Internal plasmas thus enable electromagnetic driving via coupling to the plasma and neutral gas. We assess the importance of each of these processes in terms of local escape flux production as well as global outflow, and suggest methods for their implementation within multi-species global simulation codes. We conclude by assessing outstanding obstacles to this objective.

Moore, Thomas Earle↗

Annular Metallic Nuclear Fuel Informatics at 50 nm Resolution

U-10wt.% Zr (U-10Zr) based metallic fuel is the leading candidate for next-generation sodium cooled fast reactor in United States. Advanced post-irradiation characterization (from sub-nanometer to micrometer) helps to understand fuel microstructure and property change during irradiation, benefiting fuel qualification for commercial application. With high velocity image data generating method, an automatic way to extract the microstructural information quantitively can better serve the needs from post irradiation characterization. A trained machine learning model, named Decision Tree, is employed to categorize pores caused by fission gas release and to aid phase identification. This work presents a showcase of this approach on different irradiated U-10Zr metallic fuels. This quantitative data offers insights into the fission product migration and potentially thermal conductivity degradation. This information from machine learning will be fed into fuel design code for better prediction of fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

BISON TRISO Modeling Advancements and Validation to AGR-1 Data

BISON is a finite element-based nuclear fuel performance code. Among its unique characteristics are its ability to model 1D, 2D, and 3D geometries and its applicability to a wide variety of nuclear fuels. For the last eight years, BISON has included a beginning capability to model tri-structural isotropic (TRISO) fuel. Recently, interest in TRISO fuel has grown, and a significant effort has been made to improve BISON’s capabilities in this area. Capability development has occurred for each material present in TRISO fuel particles: the buffer, inner pyrolytic carbon, silicon carbide, and outer pyrolytic carbon layers, as well as the fuel kernel. New elastic, creep, swelling, thermal expansion, thermal conductivity, and fission gas release (FGR) models are available. New models for the graphite matrix are also now available. Another important addition is the ability to perform statistical failure analysis of large samples of fuel particles. This new capability, which continues to grow, enables evaluation of failure due to pressure or crack formation by analyzing many thousands of particles. This enables realistic calculations of fission product release from the many particles in a TRISO-fueled reactor. These capabilities were checked via regression and verification tests. A large number of code benchmarking problems were also run, showing that BISON’s results closely match those of other software tools. Finally, a significant validation effort was completed in which fission product release, measured as part of the AGR-1 capsule experiments, was compared to BISON outputs. BISON outputs compared very well to the experimental data and to PARFUME results. Interest in BISON’s TRISO capabilities is growing, with the U.S. Nuclear Regulatory Commission (NRC) and Westinghouse Electric Company receiving training during the past year. Multiple other entities have expressed interest in or are actively using BISON. Kairos Power, LLC, has a strong partnership with Idaho National Laboratory (INL) regarding the use of BISON for TRISO analysis. While its capabilities still continue to grow, BISON has already become a powerful tool for TRISO analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DDFRG2: Double-Differential FRaGmentation Model with Pion Production

A set of Double-Differential FRaGmentation (DDFRG) models for production of fragments from nucleon-nucleus and nucleus-nucleus collisions, relevant to space radiation, is currently being developed. DDFRG1 was a previous model developed for production of protons and light ions. A new model for pion production is developed in the present work and is called DDFRG2, which is based upon thermal production of pions from a central fireball source. The Lorentzinvariant double-differential cross section is calculated in the central fireball frame, and is Lorentz transformed to the laboratory frame, which results in a closed-form analytic formula involving no numerical integration, and which can be run very efficiently in radiation transport codes. The Lorentz-invariant double-differential cross section is then integrated over angle to give the singledifferential energy spectral distribution. Two versions of the DDFRG2 pion production are developed, namely DDFRG2-SIMPLE and DDFRG2-FULL. Both versions produce pion production Lorentz-invariant double-differential cross sections and also pion production single-differential spectral (energy) distributions. The SIMPLE version contains only one adjustable parameter. The FULL version contains three additional adjustable parameters. Both DDFRG2 versions are compared to over 1,000 data points. The SIMPLE version describes the p + 12 C → π − much better than the current HZETRN pion model. For other reactions, the SIMPLE version is of comparable quality to the current HZETRN pion model compared to data. For both the p + 12 C → π − reaction and all other reactions, DDFRG2-FULL describes the data much more accurately than the current HZETRN pion model.

John W. Norbury↗

Then and Now: Improving Software Portability, Productivity, and 100× Performance

The US Exascale Computing Project (ECP) has succeeded in preparing applications to run efficiently on the first reported Exascale supercomputers in the world. To achieve this, it modernized the whole leadership software stack, from libraries to simulation codes. In this article, we contrast selected leadership software before and after ECP. We discuss how sustainable research software development for leadership computing can embrace the conversation with the hardware vendors, the leadership computing facilities, the software community, and the domain scientists who are the application developers and integrators of software products. We elaborate on how software needs to take portability as a central design principle and to benefit from interdependent teams; we also demonstrate how moving to programming languages with high momentum, like modern C++, can help improve the sustainability, interoperability, and performance of research software. Finally, we showcase how cross-institutional efforts can enable algorithm advances that are beyond incremental performance optimization.

97 MATHEMATICS AND COMPUTING↗

Effects of the Serber First Step in 3DHZETRN-v2.1

3DHZETRN-v2 includes a detailed three dimensional (3D) treatment of neutron/light-ion transport based on a quasi-elastic/multiple-production assumption allowing improved agreement of the neutron/light-ion fluence compared with results of three Monte Carlo (MC) codes in the sense that the variance with respect to the individual MC results is less than the variance among the MC code results. The current numerical methods are no longer the main limitation to HZETRN code development and further changes in the nuclear model are required. In a prior study, an improved quasi-elastic spectrum based on a solution of the transport approximation to nuclear media effects showed promise, but the remaining multiple-production spectrum was based on a database derived from the Ranft model that used Bertini multiplicities. In the present paper, we will implement a more complete Serber first step into the 3DHZETRN-v2 code, but we retain the Bertini-Ranft branching ratios and evaporation multiplicities. It is shown that the new Serber model in the 3HZETRN-v2 code reduces the variance with individual MC codes, which are largely due to nuclear cross section model differences.

Wilson, John W.↗

PeleMP: The Multiphysics Solver for the Combustion Pele Adaptive Mesh Refinement Code Suite

Combustion encompasses multiscale, multiphase reacting flow physics spanning a wide range of scales from the molecular scales, where chemical reactions occur, to the device scales, where the turbulent flow is affected by the geometry of the combustor. This scale disparity and the limited measurement capabilities from experiments make modeling combustion a significant challenge. Recent advancements in high-performance computing (HPC), particularly with the Department of Energy's Exascale Computing Project (ECP), have enabled high-fidelity simulations of practical applications to be performed. The major physics submodels, including chemical reactions, turbulence, sprays, soot, and thermal radiation, exhibit distinctive computational characteristics that need to be examined separately to ensure efficient utilization of computational resources. This paper presents the multiphysics solver for the Pele code suite, called PeleMP, which consists of models for spray, soot, and thermal radiation. Here, the mathematical and algorithmic aspects of the model implementations are described in detail as well as the verification process. The computational performance of these models is benchmarked on multiple supercomputers, including Frontier, an exascale machine. Results are presented from production simulations of a turbulent sooting ethylene flame and a bluff-body swirl stabilized spray flame with sustainable aviation fuels to demonstrate the capability of the Pele codes for modeling practical combustion problems with multiphysics. This work is an important step toward the exascale computing era for high-fidelity combustion simulations providing physical insights and data for predictive modeling of real-world devices.

42 ENGINEERING↗

Two-link Staggered Quark Smearing in QUDA

Gauge covariant smearing based on the 3D lattice Laplacian can be used to create extended operators that have better overlap with hadronic ground states. For staggered quarks, we make use of two-link parallel transport to preserve taste properties. We have implemented the procedure in QUDA. We present the performance of this code on the NVIDIA A100 GPUs in Indiana University's Big Red 200 supercomputer and on the AMD MI250X GPUs in Oak Ridge Leadership Computer Facility's (OLCF's) Crusher and discuss its scalability. We also study the performance improvement from using NVSHMEM on OLCF's Summit. Reusing precomputed two-link products for all sources and sinks, it reduces the total smearing time for a baryon correlator measurement by a factor of 100-120 as compared with the original MILC code and reduces the overall time by 60-70%.

Gottlieb, Steven↗

Designing Iowa Agricultural Landscapes to Improve Environmental Co-Benefits of Bioenergy Production

Cellulosic bioenergy feedstocks are needed to improve carbon (C) management while provisioning biomass for bioproducts and biofuel. The transition to increased cellulosic biomass production can be guided by land management plans designed to improve economic, environmental, and ecological performance. We constructed a sustainability model to compare landscape designs for biofuel production from corn (Zea mays L.) stover and switchgrass (Panicum virgatum L.) in central Iowa, USA. We used the model to compare environmental and socioeconomic outcomes associated with four landscape management strategies, with and without cellulosic biomass markets. We evaluated (1) a fuelshed area containing over 1.2 million ha (3 million acres) of corn and soybean (Glycine max (L.) Merr.) within 80 km (50 miles) of a commercial-scale cellulosic biorefinery in Nevada, Iowa, and (2) the South Fork watershed containing over 72,000 ha (178,000 acres) of these row crops within eight north central Iowa HUC-12 (hydrologic unit code) watersheds. At both landscape scales, we found that it is possible to achieve multiple environmental and socioeconomic benefits concomitantly with cellulosic biomass production by strategically collecting corn stover and converting the 10% of the lowest-profitability row crop land to perennial switchgrass. Potential benefits from landscape design include increased biodiversity, soil and water quality improvements, increased soil carbon sequestration for climate change mitigation, and reduced fertilizer use and cost. Our model results showed that increasing benefits can accrue when complementary conservation practices (e.g., reduced tillage, use of a rye cover crop) are combined and integrated throughout a fuelshed or watershed area. We conclude that ecologically based landscape designs offer valuable insights about costs and benefits of land management alternatives, with relevance for achieving stakeholder goals.

54 ENVIRONMENTAL SCIENCES↗

A heavy-ion production channel of 149 Tb via 63 Cu bombardment of 89 Y

We report the radionuclide 149 Tb (t 1/2 = 4.1 h) is a potential theranostic isotope which can simultaneously be used for targeted-alpha-particle therapy and positron-emission tomography. Feasibility experiments were performed to test a near-symmetric heavy-ion reaction of 63 Cu bombardment on monoisotopic 89 Y. The indirect reaction was studied to avoid isomer production. Offline gamma spectroscopy was used to quantify thick-target physical yields and experimental results show modest agreement to the fusion-evaporation code PACE4. A near-symmetric fission yield was also observed.

149Tb↗

Evaluation of Programming Language-Aware Diffs for Improving Developer Productivity

As the number of supported platforms for SNL software increases, so do the testing requirements. This increases the total time spent between when a developer submits code for testing, and when tests are completed. This in turn leads developers to hold off submitting code for testing, meaning that when code is ready for testing there's a lot more of it. This increases the likelihood of merge conflicts which the developer must resolve by hand -- because someone else touched the files near the lines the developer touched. Current text-based diff tools often have trouble resolving conflicts in these cases. Work in Europe and Japan has demonstrated that, using programming language aware diff tools (e.g., using the abstract syntax tree (AST) a compiler might generate) can reduce the manual labor necessary to resolve merge conflicts. These techniques can detect code blocks which have moved, as opposed than current text-based diff tools, which only detect insertions / deletions of text blocks. In this study, we evaluate one such tool, GumTree, and see how effective it is as a replacement for traditional text-based diff approaches.

97 MATHEMATICS AND COMPUTING↗

Assessment of Critical Experiment Benchmark Applicability to a Large-Capacity HALEU Transportation Package Concept

This work presents an assessment of the applicability of existing benchmark critical experiments to the criticality safety code validation for a large-capacity high-assay low-enriched uranium (HALEU) transportation package concept. Numerous next-generation nuclear reactor designs require HALEU fuel, which is characterized by an enrichment between 5 and 20 wt% 235 U. The U.S. Department of Energy (DOE) has proposed to recover and downblend highly enriched uranium from DOE-owned used nuclear fuel to accelerate the demonstration of commercially viable microreactor technologies. One element of the infrastructure needed to demonstrate HALEU-fueled reactors is the ability to safely transport enriched product to be used for fuel fabrication. There is uncertainty as to whether existing critical benchmark experiment data are sufficient to support criticality safety code validation for HALEU transportation applications. The anticipated chemical form of the HALEU in the proposed transportation concept is UO 2 with 20 wt% 235 U/U. The concept uses a combination of an existing transportation packaging design and a novel basket design, including borated aluminum flux traps. The basket provides space for 18 reusable, stainless steel canisters that contain the HALEU. In 10 CFR 71, normal conditions of transport (NCTs) and hypothetical accident conditions (HACs) are defined for fissile material transportation packages. NCT and HAC KENO-VI models of the transportation package were developed using the Standardized Computer Analyses for Licensing Evaluation (SCALE) 6.2.3 computer code package, and optimum moderation conditions were determined using the SCALE SAMPLER sequence. The SCALE Tools for Sensitivity and Uncertainty Analysis Methodology Implementation (TSUNAMI) sequences were then used to compare the neutronic characteristics of 1584 International Criticality Safety Benchmark Evaluation Project benchmark critical experiments with the NCT and HAC HALEU transportation models. The TSUNAMI integral correlation coefficient c k was the criterion used to rank neutronic similarity. Thirty-four experiments were identified as similar (c k ≥ 0.9) to the NCT model, and 55 experiments were identified as similar to the HAC model. Hundreds of experiments were also identified as at least marginally similar (c k ≥ 0.8) to both models. The results indicate that additional critical experiments are unlikely to be needed to support HALEU transportation criticality safety analyses for package concepts similar to the concept package analyzed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A quantal diffusion approach for multinucleon transfer in heavy-ion collisions

The stochastic mean-field (SMF) approach beyond the time-dependent-Hartree-Fock theory is used to explore the primary production cross sections in 64 Ni + 130 Te at the bombarding energy E c.m. = 184.3 MeV and 206 Pb + 118 Sn at E c.m. = 436.8 MeV. Secondary production cross-sections in the same systems are calculated using a statistical de-excitation model with GEMINI++ code. Furthermore, the obtained results are compared with available experimental data. Analysis employing SMF and GEMINI++ exhibit a good agreement with the experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Determining the 9 $\mathrm{Be}$($n, γ$) 10 $\mathrm{Be}$ integral cross section at fission neutron energies

The 9 B neutron capture cross section has significant implications for Be materials in the nuclear industry as well as the α process in stellar nucleosynthesis. While the cross section is well constrained at thermal neutron energies, there is a lack of experimental data at higher neutron energies, and the evaluated nuclear data libraries can differ by up to two orders of magnitude. We calculate the 9 Be(n, γ) 10 Be integral cross section at fission neutron energies in an effort to resolve disagreements amongst the nuclear data libraries. Foil irradiation experiments were performed using the Flattop critical assembly at the National Criticality Experiments Research Center with either the highly enriched U or Pu cores, with target foil stacks placed at multiple locations to exploit different neutron energy profiles. Accelerator mass spectrometry was used to measure the 10 Be/ 9 Be ratio in irradiated Be foils, while all other activation products were quantified through gamma spectrometry. The experiments were simulated using the Monte Carlo N-Particle radiation transport code and combined with experimental results to determine the total neutron fluence, while the staysl-pnnl suite and fispact-ii code were used to validate the model and assess the systematic uncertainty. The new 9 Be(n, γ) 10 Be integral cross sections calculated in this work are 26.5 ± 2.2µb at 0.59 ± 0.07 MeV, 24 ± 3 µb at 0.98 ± 0.14 MeV, 21.7 ± 1.3 µb at 1.26 ± 0.11 MeV, 21.8 ± 1.4 µb at 1.32 ± 0.11 MeV, and 18.6 ± 1.1 µb at 1.46 ± 0.13 MeV. These results do not agree with integral cross sections from any of the nuclear data library evaluations. Discrepancies between the new integral cross sections reported here and the nuclear data libraries suggest a more complex cross-section structure in the MeV range which allows for more resonance contributions, and more work is needed to further constrain the evaluated cross sections.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗