Improvements to Particle Merge Algorithms for Sandia National Laboratories Plasma Physics Modeling Code, EMPIRE
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Watrous, Jack↗
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Automatically Recognizing Semantics of List-based Data Structures in Source Code
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Computer science↗
Exosphere Modeling of Proxima b: A Case Study of Photochemical Escape with a Venus-like Atmosphere
Exoplanets orbiting M dwarfs within habitable zones are exposed to stellar environments more extreme than that terrestrial planets experience in our solar system, which can significantly impact the atmospheres of the exoplanets and affect their habitability and sustainability. This study provides the first prediction of hot oxygen corona structure and the associated photochemical loss from a 1 bar CO 2 -dominated atmosphere of a Venus-like rocky exoplanet, where dissociative recombination of O 2 + ions is assumed to be the major source reaction for the escape of neutral O atoms and formation of the hot O corona (or exospheres) as on Mars and Venus. We employ a 3D Monte Carlo code to simulate the exosphere of Proxima Centauri b (PCb) based on the ionosphere simulated by a 3D magnetohydrodynamic model. Our simulation results show that variability of the stellar wind dynamic pressure over one orbital period of PCb does not affect the overall spatial structure of the hot O corona but contributes to the change in the global hot O escape rate that varies by an order of magnitude. The escape increases dramatically when the planet possesses its intrinsic magnetic fields as the ionosphere becomes more extended with the presence of a global magnetic field. Furthermore, the extended hot O corona may lead to a more extended H exosphere through collisions between thermal H and hot O, which exemplifies the importance of considering nonthermal populations in exospheres to interpret future observations.
79 ASTRONOMY AND ASTROPHYSICS↗
The Ristra Project: FY20/21 Milestone Report
The ASC Advanced Technology Development and Mitigation (ATDM) sub-program was established in 2014 to develop new simulation tools operating on exascale-class computers to serve NNSA (see Appendix B). Over the course of ATDM, LANL management have set a strategy for exascale-class application codes that follows two supportive and mutually risk-mitigating paths: evolution for established production integrated design codes (IDCs) – with a strong pedigree within the user community – based upon existing programming paradigms(MPI+X); and a new start ATDM project, Ristra, a high-risk/high-reward push for a next-generation multi-physics, multi-scale simulation toolkit based on emerging advanced programming systems(with an initial focus on data-flow task-based models exemplified by Legion). The role of Ristra as the high-risk/high-reward path for LANL’s codes was fully consistent with the goals of ATDM as described in Appendix B, in particular its emphasis on evolving ASC capabilities through novel computing programming models and computing technologies.
97 MATHEMATICS AND COMPUTING↗
Toward continuum gyrokinetic study of high-field mirrors
High-temperature superconducting (HTS) magnetic mirrors under development exploit strong fields with high mirror ratio to compress loss cones and enhance confinement and may offer cheaper, more compact fusion power plant candidates. This new class of devices could exhibit largely unexplored interchange and gradient-driven modes. Such instabilities, and methods to stabilize them, can be studied with gyrokinetics, given the strong magnetization and prevalence of kinetic effects. Our focus here is to (a) determine if oft-used gyrokinetic models for open field lines produce the electron-confining (Pastukhov) electrostatic potential and (b) examine and address challenges faced by gyrokinetic codes in studying HTS mirrors. Here, we show that a one-dimensional limit of said models self-consistently develops a potential qualitatively approaching the analytical Pastukhov level. Additionally, we describe the computational challenges of studying high mirror ratios with open field line gyrokinetic solvers and offer a force softening method to mitigate small time steps needed for time integration in colossal magnetic field gradients produced by HTS coils, providing a 19X speedup.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Core plasma fueling by fast inward particle transport after hydrogen pellet injection in Wendelstein 7-X
A large database of more than 1000 individual cryogenic hydrogen pellets injected into Wendelstein 7-X for plasma fueling was analyzed to improve the understanding of the three phases of the process: the ablation, deposition and transport of the pellet material. Kilohertz-sampled electron density and temperature measurements revealed a more complex drift behavior than predicted by numerical code simulation. It could be explained by the poloidal plasma E r x B- drift rotation, which plays a significant role in stellarators, but was not previously considered in pellet injection codes like HPI2. The drift results in a fast poloidal rotation of the pellet material around the plasma core, leading to an almost homogeneous deposition over the involved flux surfaces regardless of magnetic high and low field side injection geometry. Additionally, a novel fast inward directed transport mechanism (‘FIT-effect’) was observed. The effect occurs on timescales of tens of milliseconds and cannot be explained by neoclassical transport or diffusion. It might be linked to the turbulence pinch recently found in Wendelstein 7-X. When the FIT-effect occurs, the pellet particles are rapidly transferred from the deposition flux surfaces to the plasma core, causing the plasma density profile to peak, which is beneficial for confinement in Wendelstein 7-X. The large pellet injection database was statistical analyzed with regard to pellet and plasma parameters, which delivered some starting points towards developing an understanding of the physics behind the FIT-effect. The results indicate, that plasma core fueling via pellet injection is largely independent of the injection geometry in stellarators under certain conditions, reducing the technical complexity of the injection system.
Wendelstein 7-X↗
LLM Benchmarking with LLaMA2: Evaluating Code Development Performance Across Multiple Programming Languages
The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the LLaMA 2-70B model in automating these tasks for scientific applications written in commonly used programming languages. Using representative test problems, we assess the model's capacity to generate code, documentation, and unit tests, as well as its ability to translate existing code between commonly used programming languages. Our comprehensive analysis evaluates the compilation, runtime behavior, and correctness of the generated and translated code. Additionally, we assess the quality of automatically generated code, documentation, and unit tests. Here, our results indicate that while LLaMA 2-70B frequently generates syntactically correct and functional code for simpler numerical tasks, it encounters substantial difficulties with more complex, parallelized, or distributed computations, requiring considerable manual corrections. We identify key limitations and suggest areas for future improvements to better leverage AI-driven automation in scientific computing workflows.
97 MATHEMATICS AND COMPUTING↗
ARES. II. Characterizing the Hot Jupiters WASP-127 b, WASP-79 b, and WASP-62b with the Hubble Space Telescope
This paper presents the atmospheric characterization of three large, gaseous planets: WASP-127 b, WASP-79 b, and WASP-62 b. We analyzed spectroscopic data obtained with the G141 grism (1.088–1.68 μm) of the Wide Field Camera 3 on board the Hubble Space Telescope using the Iraclis pipeline and the TauREx3 retrieval code, both of which are publicly available. For WASP-127 b, which is the least dense planet discovered so far and is located in the short-period Neptune desert, our retrieval results found strong water absorption corresponding to an abundance of log(H{sub 2}O) = −2.71{sub −1.05}{sup +0.78} and absorption compatible with an iron hydride abundance of log(FeH) = −5.25{sub −1.10}{sup +0.88}, with an extended cloudy atmosphere. We also detected water vapor in the atmospheres of WASP-79 b and WASP-62 b, with best-fit models indicating the presence of iron hydride, too. We used the Atmospheric Detectability Index as well as Bayesian log evidence to quantify the strength of the detection and compared our results to the hot Jupiter population study by Tsiaras et al. While all the planets studied here are suitable targets for characterization with upcoming facilities such as the James Webb Space Telescope and Ariel, WASP-127 b is of particular interest due to its low density, and a thorough atmospheric study would develop our understanding of planet formation and migration.
79 ASTRONOMY AND ASTROPHYSICS↗
The Development of Kinetic and Radiation Hydrodynamics Modeling of Thermonuclear Burn Propagation in Isochoric p - 11 B Through the Support of the INFUSE Program
The report summarizes DOE INFUSE-supported work between HB11 Energy and the University of Rochester’s TriForce Institute to improve computational modeling of advanced fusion fuels, especially proton–boron-11 (p- 11 B). The project extended the TriForce particle-in-cell/Monte Carlo collision code to include physics needed for dense, high-temperature p- 11 B burn studies, including p- 11 B fusion reactions, three-alpha-particle reaction products, relativistic Coulomb collisions, large-angle nuclear scattering, bremsstrahlung radiation, inverse bremsstrahlung absorption, and photon transport. The upgraded models were verified against focused physics tests and against known deuterium–tritium burn behavior. The study then used one-dimensional spherical simulations to estimate the conditions required for thermonuclear burn propagation in isochoric p- 11 B fuel. The calculations found that burn propagation is possible in the model, but only under very extreme hot-spot conditions, such as about 7000 g/cm 3 at 500 keV or 9000 g/cm 3 at 300 keV for a 20-micron hot spot. These conditions are much more demanding than current demonstrated inertial confinement fusion hot spots. The report concludes that the INFUSE collaboration successfully advanced kinetic and radiation modeling capabilities for p- 11 B fusion and provided useful estimates of ignition requirements. However, the simulated fuel gains remain below what would be needed for practical inertial fusion energy, and further work is needed to reconcile differences among kinetic, radiation-hydrodynamic, and analytic models and to identify more achievable target designs.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Improved galactic foreground removal for B-mode detection with clustering methods
ABSTRACT Characterizing the sub-mm Galactic emission has become increasingly critical especially in identifying and removing its polarized contribution from the one emitted by the cosmic microwave background (CMB). In this work, we present a parametric foreground removal performed on to sub-patches identified in the celestial sphere by means of spectral clustering. Our approach takes into account efficiently both the geometrical affinity and the similarity induced by the measurements and the accompanying errors. The optimal partition is then used to parametrically separate the Galactic emission encoding thermal dust and synchrotron from the CMB one applied on two nominal observations of forthcoming experiments from the ground and from the space. Moreover, the clustering is performed on tracers that are different from the data used for component separation, e.g. the spectral index maps of dust and synchrotron. Performing the parametric fit singularly on each of the clustering derived regions results in an overall improvement: both controlling the bias and the uncertainties in the CMB B-mode recovered maps. We finally apply this technique using the map of the number of clouds along the line of sight, $\mathcal {N}_c$, as estimated from H i emission data and perform parametric fitting on to patches derived by clustering on this map. We show that adopting the $\mathcal {N}_c$ map as a tracer for the patches related to the thermal dust emission, results in reducing the B-mode residuals post-component separation. The code is made publicly available https://github.com/giuspugl/fgcluster.
79 ASTRONOMY AND ASTROPHYSICS↗
A Minimum Creep Rate for 2-1/4Cr-1Mo Steel Consistent With the ASME Section III, Division 5 Rules
This technical note describes a minimum creep rate model for 2-1/4Cr-1Mo steel that is consistent with the current creep strain equation embedded in the ASME Boiler & Pressure Vessel Code Section III, Division 5, Subsection HB, Subpart B isochronous stress–strain curves. Minimum creep rate models for all the Section III, Division 5 Class A materials are required for the development of improved high temperature design methods. Of all the Class A materials, only 2-1/4Cr-1Mo does not have a readily identifying minimum creep rate term in the current isochronous stress–strain curve model.
36 MATERIALS SCIENCE↗
Initial development and verification of a primary load design method based on elastic-perfectly plastic analysis
This report describes a new primary load design method to supplement the current design-by-elastic-analysis rules in Section III, Division 5, Subsection HB, Subpart B of the ASME Boiler and Pressure Vessel Code, covering the design and construction of Class A high temperature nuclear structural components. The main objectives for the new design method are to provide a procedure that can be applied to components with complicated geometries and to simplify the primary load design process by providing rules more compatible with modern finite element analysis. The report includes a complete set of design rules, presented as a draft ASME Code Case, as well as a commentary on the rules and a set of verification problems. The verification design problems demonstrate the new primary load design rules produce safe, efficient components when compared to the current Division 5 approach, while greatly simplifying the design analysis process.
42 ENGINEERING↗
Example Evaluation of a Representative Heat Pipe Test Article Design for Structural Acceptability using ASME Design Rules
This report describes a design analysis of a test article mimicking a core block of a heat-pipe mi-croreactor using the ASME Boiler & Pressure Vessel Code Section III, Division 5, Subsection HB, Subpart B rules. These rules cover the design and construction of elevated temperature nu-clear reactor structural components, like the core block of a heat-pipe microreactor emulated by the test article. The purposes of the report are to: (1) provide a step-by-step example of applying the ASME rules to a reasonable core block geometry and corresponding loading conditions, (2) to provide design feedback on the test article, and (3) to evaluate the ASME rules for use in the design of complex heat-pipe microreactor components. The test article design has a relatively short ASME design life, limited by high thermal stresses. The current ASME rules are adequate for evaluating the core block component designs, though they could be optimized to increase the design efficiency and reduce the amount of designer/analyst time required to execute the design process. The report covers both the current, 2019 edition ASME rules and modified, currently unapproved, rules designed to improve the design process for components with complex geometries and high secondary stresses, like the core block test article.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Initial development for the introduction of provisions for irradiation effects in Division 5 rules
Heat pipe microreactor concept involves the use of a solid core block to encapsulate the nuclear fuel and the passive extraction of heat from the core block to the heat exchanger block by advanced heat pipes. The core block is a key component of the heat pipe microreactor design. It integrates the functions of reactor vessel, core structural components and fuel cladding of traditional Gen IV advanced reactor designs into one single structure. The effects of irradiation on the structural failure modes are outside the scope of the rules of the ASME Boiler and Pressure Vessel Code, Section III, Division 5, Subsection HB, Subpart B for metallic Class A components. Methods to account for the irradiation effect were investigated in order to develop design methods that can be applied to the core block design in the heat pipe microreactor. This report presents an initial development of an approach to account for the irradiation effects in the design rules.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Report on FY 2021 testing in support of integrating Alloy 800H and 2.25Cr-1Mo for EPP analysis
The use of simplified Elastic-Perfectly Plastic (EPP) design methods avoids the complexities and limitations of the elastic analysis approach in evaluating strain limits and creep-fatigue damage for Class A metallic coolant boundary components in ASME Boiler and Pressure Vessel Code, Section III, Division 5, Subsection HB, Subpart B. No stress classification and linearization are required in the EPP methods. Further, the strain limits and creep-fatigue damage evaluation procedures based on elastic analysis results were developed for the reactor operating conditions where uncoupled, rate-independent plasticity and stationary creep can be used to approximate the deformation in the component adequately. But at very high temperatures, the deformation is rate-dependent, and it can only be approximated adequately by unified viscoplastic model. Thus, for example, the elastic analysis approach cannot be used to evaluate strain limits and creep-fatigue damage for Alloy 617 above 650 °C. The EPP methods remove the temperature restriction. They can be used to evaluate strain limits and creep-fatigue damage for the full range of temperatures.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
SPC-70692 Rev 0 MARVEL B4C Powder Specification
A. Idaho National Laboratory (INL) is developing a microreactor to produce electrical power utilizing a small nuclear core and Stirling engines under the Microreactor Application Research Validation and Evaluation (MARVEL) program. This procurement specification defines the requirements for procurement of the B4C Powder. B. Any conflict between this specification and referenced Codes and Standards, or any supplementary specifications in the procurement documents requires written clarification from the Contractor prior to proceeding with any work. Any deviation from the procurement documents requires approval by the Contractor with the change request process.
21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
SPC-70702 Rev 0 Zircaloy-4 Debris Shields for Use in MARVEL Build to Print Fabrication Specification
A. Idaho National Laboratory (INL) is developing a microreactor to produce electrical power utilizing a small nuclear core and Stirling engines under the Microreactor Application Research Validation and Evaluation (MARVEL) program. This procurement specification defines the requirements for fabrication of the Zircaloy-4 debris shields. B. Any conflict between this specification and referenced Codes and Standards, or any supplementary specifications in the procurement documents requires written clarification from the Contractor prior to proceeding with any work. Any deviation from the procurement documents requires approval by the Contractor with the change request process.
21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
SPC-70773 Rev 0 MARVEL Central Insurance Absorber Gray Rod Build to Print Specification
A. Idaho National Laboratory (INL) is developing a microreactor to produce electrical power utilizing a small nuclear core and Stirling engines under the Microreactor Application Research Validation and Evaluation (MARVEL) program. This procurement specification defines the requirements for fabrication of the Central Insurance Absorber Structure (CIAS) Gray Rod (Hafnium). B. Any conflict between this specification and referenced Codes and Standards, or any supplementary specifications in the procurement documents requires written clarification from the Contractor prior to proceeding with any work. Any deviation from the procurement documents requires approval by the Contractor with the change request process.
21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗