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DOE OSTI2016

Technical Note: SCUDA: A software platform for cumulative dose assessment

Purpose: Accurate tracking of anatomical changes and computation of actually delivered dose to the patient are critical for successful adaptive radiation therapy (ART). Additionally, efficient data management and fast processing are practically important for the adoption in clinic as ART involves a large amount of image and treatment data. The purpose of this study was to develop an accurate and efficient Software platform for CUmulative Dose Assessment (SCUDA) that can be seamlessly integrated into the clinical workflow. Methods: SCUDA consists of deformable image registration (DIR), segmentation, dose computation modules, and a graphical user interface. It is connected to our image PACS and radiotherapy informatics databases from which it automatically queries/retrieves patient images, radiotherapy plan, beam data, and daily treatment information, thus providing an efficient and unified workflow. For accurate registration of the planning CT and daily CBCTs, the authors iteratively correct CBCT intensities by matching local intensity histograms during the DIR process. Contours of the target tumor and critical structures are then propagated from the planning CT to daily CBCTs using the computed deformations. The actual delivered daily dose is computed using the registered CT and patient setup information by a superposition/convolution algorithm, and accumulated using the computed deformation fields. Both DIR and dose computation modules are accelerated by a graphics processing unit. Results: The cumulative dose computation process has been validated on 30 head and neck (HN) cancer cases, showing 3.5 ± 5.0 Gy (mean±STD) absolute mean dose differences between the planned and the actually delivered doses in the parotid glands. On average, DIR, dose computation, and segmentation take 20 s/fraction and 17 min for a 35-fraction treatment including additional computation for dose accumulation. Conclusions: The authors developed a unified software platform that provides accurate and efficient monitoring of anatomical changes and computation of actually delivered dose to the patient, thus realizing an efficient cumulative dose computation workflow. Evaluation on HN cases demonstrated the utility of our platform for monitoring the treatment quality and detecting significant dosimetric variations that are keys to successful ART.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Summary of LANL FY19 Technical Interface Coordination with SHINE

In FY19, Los Alamos National Laboratory (LANL) provided technical support for SHINE emergent needs and technical interface coordination including coordination of SHINE CFD and thermal hydraulics conference calls, Mo-99 meetings and reviews, national laboratory conference calls, and program management activities such as reporting and tracking requirements for current FY19 activities. LANL has also provided general technology consultation support for emerging issues. LANL has participated in the bi-weekly conference calls with SHINE and other national laboratories regarding LANL’s current activities. Activities discussed include FY18 carryover items including the ANSYS Fluent-Nek5000 comparison study (for assessment of Nek5000 for coupled calculations), Supo 3-D CFD model geometry validation, and releasing CFD-MCNP coupled codes for the generic solution vessel simulations. Also, additional mid-year funded activities discussed during these conference calls include the ANL bubble experiment #2 collaboration. SHINE had a general technology consultation request in FY19. SHINE inquired about LANL’s capability to measure enrichment percentage of uranium samples, however, additional information is needed to continue. The meeting minutes for these activities are shown in Appendix A. LANL has also been providing monthly updates on the laboratory SharePoint site (managed by Pacific Northwest National Laboratory) regarding current FY19 activities. Monthly updates include current activity milestone and deliverable status, completion date updates and variances if applicable, and actual cost at the task dependent activity level. LANL attended several Mo-99 meetings and reviews in FY19. LANL attended the FY19 Mo-99 Laboratory Mid-Year Program and Financial Review at Argonne National Laboratory (ANL) on March 20-21, 2019, as well as the FY19 Mo-99 Program Meeting and Mid-Year Financial Review in Chicago, IL on April 29-30, 2019. LANL also attended the FY20 Laboratory Work Package Planning Meeting at ANL on June 4-6, 2019.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM SciDAC) (Technical Final Report)

Runaway electrons can severely damage the plasma facing components on ITER during a major disruption and pose a major risk for tokamak fusion. It has been recognized that an adequate disruption mitigation system (DMS) is essential for the safe operation of ITER. The United States is responsible for the design and implementation of the disruption mitigation system on ITER, and in July 2016 the Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM) was launched by DOE, in a joint Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) collaboration. SCREAM was a comprehensive theory and simulation SciDAC center that provided physics guidance in the avoidance and mitigation of runaway electrons, and in tandem with domestic and international experiments, helped establish the qualitative and quantitative bases for safe operational scenarios and viable mitigation techniques. The SCREAM center assembled a national team of experts in runaway electron physics, tokamak disruptions, magnetohydrodynamic (MHD) simulation, and advanced algorithms and computing. The team combined advanced simulation and analysis capability facilitated by direct participation of ASCR SciDAC institutes with theoretical models and code development by FES scientists to focus on the runaway risk for ITER and tokamaks in general. The research scope was focussed on integrated simulations of kinetic runaway electrons, including MHD and fluid models of impurity transport, within a research plan guided by theory. The specific research tasks were (1) establish the fundamental physics of runaway generation, saturation, and dynamical evolution in a tokamak; (2) examine the critical path toward runaway avoidance; and (3) investigate the viability and effectiveness of the leading candidate schemes for runaway mitigation. In all three areas, members of the team carried out scoping studies that established the readiness for rapid and critical advances, especially in the deployment and further development of large-to extreme-scale simulation tools. Our multi-pronged computational approach included (1) relativistic Fokker-Planck solvers with discretization in phase space, (2) self-consistent particle-in-cell techniques, (3) particle-based Monte-Carlo, and (4) MHD-particle hybrid simulations. Cross-check between these different methods provided an additional means for verification and further bolstered the fidelity of our physics prediction. Validation against experimental results brings confidence to the predictive capability for ITER and frequently leads to new ideas for understanding and mitigating the thermal quench driven runaway electron phenomenon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Agentic framework for programmatic crystal structure generation using a fine-tuned worker–supervisor large language model

Platinum group metals (PGMs) underpin many catalytic technologies but face severe supply constraints, motivating the search for alternative materials and computational methods to accelerate discovery. While atomistic simulation tools such as Pymatgen and ASE have streamlined structure manipulation, they require detailed inputs, limiting accessibility for experimentalists and slowing early-stage exploration. Here, in this study, we present an AI-driven agentic framework that orchestrates worker–supervisor large language models (LLMs). The worker translates natural-language prompts of varying abstraction into valid crystallographic structures using a compact LLM fine-tuned with low-rank adaptation on a curated text–code–CIF dataset, emphasizing energy-efficient training. Benchmarking against the baseline CodeGen-350M-mono model shows that fine-tuning reduces hallucination rates from 100% to as low as 5% and improves structural match accuracy to up to 82% for fully specified inputs. Accuracy declines with decreasing prompt detail but remains nontrivial even when only stoichiometry and space group are provided, underscoring the LLM’s capacity for crystallographic inference. The supervisor Claude LLM evaluates the outputs and triggers iterative refinement through the worker’s built-in structure manipulation capabilities (e.g., supercell scaling, strain, vacancy, and substitution operations). We further demonstrate use cases for technologically relevant catalysts, including IrO 2 , pyrochlore Pb 2 Ir 2 O 7 , Ni 2 FeO 4 , and Ni 3 Mo, where the framework generates physically consistent structures that can be refined via geometry optimization. This work introduces a low-energy, language-driven pathway for integrating human and machine intelligence in materials design, paving the way for AI-assisted synthesis planning and high-throughput screening of complex oxides.

AI agent↗

NASA NTRS1999

Isolated Nozzle Analysis Using OVERFLOW

LaRC conducted a code validation study for the OVERFLOW code to ascertain its accuracy for boattail drag prediction. The OVERFLOW results compared favorably with the LaRC 16-ft. Transonic Wind Tunnel (TWT) data, and prior CFD solutions from PAB3D and CFL3D. The ultimate goal is to investigate the installation drag of the nacelle boattails with powered nozzles at transonic mach numbers. The OVERFLOW solver was chosen because of its ability to accept volume overlapping structured grid for very complex airframe configurations. Structured grid components for representing the transonic nozzle boattail can be added to the BCAG grid for a TCA airframe with 2D bifurcated inlet and flow through nacelle without alteration. The focus of this research was to determine the suitability of the OVERFLOW solver for accomplishing this ultimate goal. This presentation will first introduce the transonic nozzle boattail wind-tunnel model geometry, followed by an examination of aerodynamic features based on the current OVERFLOW solutions and the solutions obtained previously using PAB3D, comparisons of Cp on the flap surface between the OVERFLOW solutions, wind tunnel data, and solutions from other CFD codes, an assessment of boattail drag count prediction, and a work plan for FY99.

Wong, Tin-Chee↗

DOE OSTI2017

Development of the Advanced D1S for Shutdown Dose Rate Calculations in Fusion Reactors

The assessment of the shutdown dose rate due to neutron activation is fundamental for shielding design, materials selection, licensing and planning of maintenance operations in high performances fusion devices. The shutdown dose rate calculations require the combined use of radiation transports and inventory codes. The typical approach consists in a two steps procedure. A pure neutron transport simulation is performed in a first step to calculate the spatial distribution of neutron spectra. The results are used as input for an activation calculation that provides the decay gamma source used in a second step for a pure gamma transport simulation (rigorous-two step, R2S). The Direct 1-Step (D1S) approach has been developed more than ten years ago by ENEA and the ITER team: this technique relies on a coupled neutron-decay gamma transport in a single simulation. It is based on the use of a modified version of the MCNP5 Monte Carlo code with specially tailored nuclear cross-section data for transport and FISPACT inventory code for temporal behaviour. The 'Advanced-D1S' is an improved version of D1S in which additional computational features have been introduced, such as the mesh tally capability and continuous time evolution assessment of the dose rate in single run dose. It has been validated through measurements at JET tokamak and comparison with R2S codes and a future benchmark experiment during next high performance deuterium-tritium campaign is in preparation at JET. It has also been extensively used for ITER calculations and recently applied to DEMO assessment. Present limitations and in progress code improvement strategy are described and discussed in this paper.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2017

Development on the National Ignition Facility of a High Energy Density Opacity Platform

X-ray opacity is a crucial factor in all radiation-hydrodynamics calculations, yet it is one of the least validated of the material properties in simulation codes for high-energy-density plasmas. Recent opacity experiments at the Sandia Z-machine have shown up to factors of two discrepancies between theory and experiment for various mid-Z elements (Fe, Cr, Ni). These discrepancies raise doubts regarding the accuracy of the opacity models which are used in ICF and stewardship as well as in astrophysics. Therefore, a new experimental opacity platform has been developed on the National Ignition Facility (NIF), not only to verify the Z-machine experimental results, but also to extend the experiments to other temperatures and densities. Within the context of the national opacity strategy, the first NIF experiments were directed towards measuring the opacity of iron at a temperature of ~160 eV and an electron density of ~7xl021 cm-3(Anchor 1). The Z data agree with theory at these conditions, providing a reference point for validation of the NIF platform. Development shots on NIF have demonstrated the ability to create a sufficiently bright point backlighter using an imploding plastic capsule, and also a combined hohlraum, sample and laser drive able to produce iron plasmas at the desired conditions. Spectrometer qualification has been completed, albeit with additional improvements planned, and the first iron absorption spectra have now been obtained.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Infrared Observations of the Orion Capsule During EFT-1 Hypersonic Reentry

High-resolution infrared observations of the Orion capsule during its atmospheric reentry on December 5, 2015 were made from a US Navy NP-3D. This aircraft, equipped with a long-range optical sensor system, tracked the capsule from Mach 10 to 7 from a distance of approximately 60 nmi. Global surface temperatures of the capsule's thermal heatshield were derived from near infrared intensity measurements. The global surface temperature measurements complemented onboard instrumentation and were invaluable to the interpretation of the in-depth thermocouple measurements which rely on inverse heat transfer methods and material response codes to infer the desired surface temperature from the sub-surface measurements. The full paper will address the motivations behind the NASA Engineering Safety Center sponsored observation and highlight premission planning processes with an emphasis on aircraft placement, optimal instrument configuration and sensor calibrations. Critical aspects of mission operations coordinated from the NASA Johnson Spaceflight Center and integration with the JSC Flight Test Management Office will be discussed. A summary of the imagery that was obtained and processed to global surface temperature will be presented. At the capsule's point of closest approach relative to the imaging system, the spatial resolution was estimated to be approximately 15-inches per pixel and was sufficient to identify localized temperature increases associated with compression pad support hardware on the heatshield. The full paper will discuss the synergy of the quantitative imagery derived temperature maps with in-situ thermocouple measurements. Comparison of limited onboard surface thermocouple data to the image derived surface temperature will be presented. The two complimentary measurements serve as an example of the effective leveraging of resources to advance the understanding of high Mach number environments associated with an ablated heatshield and provide unique data for the validation of design tools and numerical flight simulation techniques. Collaborative opportunities and technology investments in support of planned observations of NASA's next Orion flight test in 2018 will be explored in the full manuscript.

Horvath, Thomas J.↗

DOE OSTI2020

Update on the United States Advanced Ultra-Supercritical Program with Full Scale Component Fabrication to Develop Utility Scale Power Plants with 760°C Steam Temperature

Following the successful completion of a 15-year effort to develop and test materials that would allow coal-fired power plants to be operated at advanced ultra-supercritical (A-USC) steam conditions, a United States-based consortium is presently engaged in Phase 2 of a project which includes an advanced manufacturing effort to complete US-based supply chain development for full commercial scale (800-850 MWe) A-USC components made of nickel-based alloys, components operating at up to 760°C. The project, funded under U.S. Department of Energy Award No. DE-FE0025064, falls under the US DOE overall goal to Develop cost-effective, reliable technologies to improve the efficiency of new and existing coal-fired power plants. A-USC steam cycles have the potential to improve cycle efficiency, reduce fuel costs, and reduce greenhouse gas emissions. Current development and demonstration efforts are focused on enabling the construction of A-USC plants, operating with steam temperatures as high as 1400°F (760°C) and steam pressures up to 5000 psi (35 MPa), which can potentially increase cycle efficiencies to 47% HHV (higher heating value), or approximately 50% LHV (lower heating value), and reduce CO 2 emissions by roughly 25%, compared to today’s U.S. fleet. A-USC technology provides a lower-cost method to reduce CO 2 emissions, compared to CO 2 capture technologies, while retaining a viable coal option for owners of coal generation assets. Among the specific goals of Phase 2 of the ComTest Project are to: validate that components made from advanced nickel-based alloys can operate and perform under A-USC conditions accelerate the development of a U.S.-based supply chain for the full complement of A-USC components close the remaining gaps and reduce the risks for manufacturing components from advanced materials for commercial demonstration fabricate full-scale versions of selected key components made of nickel-based alloys validate a qualified U.S. supply chain, to provide greater cost certainty for components obtain American Society of Mechanical Engineers (ASME) code approval for new materials, components and processes Additional benefit: Manufacturing technology will be applicable to other advanced fossil energy high temperature cycles, and can support increased flexibility of existing power plants The ComTest project is managed by Energy Industries of Ohio, and technically directed by the Electric Power Research Institute, Inc., with General Electric designing the A-USC components. As stated earlier, the current phase of the effort is primarily funded by the U.S. Department of Energy, through the National Energy Technology Laboratory. This presentation outlines the motivation for the project, explains the project’s structure and schedule, and provides some of the technical details on the design of the ComTest components.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Report of the Atmosphere to Electrons Land-Based Mesoscale-to-Microscale Coupling Project (FY2020)

The overall goal of the Mesoscale-to-Microscale Coupling (MMC) project is to improve coupling between mesoscale and microscale simulations via improved guidance and new strategies for setting up simulations and for the development of new tools that can be used across the community. Including the mesoscale forcing is critical to modeling the full energy transfer across scales in the atmosphere. The project-specific objectives include: 1) To apply rigorous verification and validation (V&V) techniques to the new modeling tools that are developed as part of the project to ensure the accuracy of our codes and results and to develop estimates of the relative uncertainty. 2) To improve computational performance of the coupled MMC models through the development of methods that can be used to reduce turbulence spin-up time and hence the size of computational domains. 3) To improve representation of the surface layer in microscale models to enhance simulations of hub-height wind speed. 4) To develop guidance for the community describing the best ways to couple mesoscale and microscale models, including specific spatial scales at which the handoff to the microscale model should occur. 5) To prepare documentation and a suite of software tools that can be used across the community. And 6) To transition MMC research to the offshore environment. Major progress was made in each of these areas during FY20. The land-based portion of the project is reported herein, while the offshore portion will be reported separately. The team continued to advance the MMC tools and methodologies as well as to document their performance in journal papers and conference presentations, although several planned conferences were cancelled due to the COVID-19 pandemic.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

High Level Waste in Salt Repositories: Experiments and Simulations of Evaporation in the Underground - 17167

Advances in simulation of coupled heat and mass transfer in granular salt using the Finite Element Heat and Mass Transfer Code (FEHM) is presented in this paper. The modeling focuses on reproducing the results of an in-situ subsurface evaporation experiment beginning during the summer of 2015 carried out in the underground at the Waste Isolation Pilot Plant (WIPP). Run-of-mine (granular) salt was placed in a metal pan, and sample mass, as well as ambient temperature and humidity, were measured continuously on a data logger through May 2016. Changes in moisture content of the salt are interpreted from the change in mass, and these data provide insight into evaporation and water retention characteristics from salt in the WIPP underground. To allow simulation of the experimental data, FEHM was modified to include a variable humidity boundary condition. The new humidity boundary condition can adjust streams of inflowing air to reflect fractions of air and water at prescribed temperature and pressure conditions that in turn represent relative humidity. Attributes for the flow such as temperature, air mass fraction, and humidity can be specified for inflowing air. The in-situ experiment provided data for validation of FEHM code development to accurately compute water-vapor pressure lowering due to dissolved salt and capillary pressure for pore water stored granular WIPP salt. Using this new boundary condition capabilities, a numerical representation of the pan experiment was created. The numerical domain is a 2-dimensional square grid of 30 by 30 cm axes. Salt and air properties are assigned based on measured values. A low flow rate of air is specified across the pile of salt to represent drift ventilation airflow. Humidity and temperature of the flowing air are fixed to measured values, and the simulated pile of salt is allowed to take up or release water based only on gradients in humidity and water-vapor pressure. Mass changes of the modeled salt pan were compared to measured mass changes in the bench-scale experiment. Directionality of the modeled changes tracks well with measured values, with good correlation between peak and valley inflection points. This shows that in situations with airflow where the relative humidity boundary can apply, FEHM can produce accurate values if humidity, air flow, and initial conditions are well established. Finally, this work supports phased-field-thermal testing in salt planned for the underground at WIPP that is expected to begin in early 2017. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2013

Science Opportunity Analyzer (SOA) Version 8

SOA allows scientists to plan spacecraft observations. It facilitates the identification of geometrically interesting times in a spacecraft s orbit that a user can use to plan observations or instrument-driven spacecraft maneuvers. These observations can then be visualized multiple ways in both two- and three-dimensional views. When observations have been optimized within a spacecraft's flight rules, the resulting plans can be output for use by other JPL uplink tools. Now in its eighth major version, SOA improves on these capabilities in a modern and integrated fashion. SOA consists of five major functions: Opportunity Search, Visualization, Observation Design, Constraint Checking, and Data Output. Opportunity Search is a GUI-driven interface to existing search engines that can be used to identify times when a spacecraft is in a specific geometrical relationship with other bodies in the solar system. This function can be used for advanced mission planning as well as for making last-minute adjustments to mission sequences in response to trajectory modifications. Visualization is a key aspect of SOA. The user can view observation opportunities in either a 3D representation or as a 2D map projection. Observation Design allows the user to orient the spacecraft and visualize the projection of the instrument field of view for that orientation using the same views as Opportunity Search. Constraint Checking is provided to validate various geometrical and physical aspects of an observation design. The user has the ability to easily create custom rules or to use official project-generated flight rules. This capability may also allow scientists to easily assess the cost to science if flight rule changes occur. Data Output allows the user to compute ancillary data related to an observation or to a given position of the spacecraft along its trajectory. The data can be saved as a tab-delimited text file or viewed as a graph. SOA combines science planning functionality unique to both JPL and the sponsoring spacecraft. SOA is able to ingest JPL SPICE Kernels that are used to drive the tool and its computations. A Percy search engine is then included that identifies interesting time periods for the user to build observations. When observations are then built, flight-like orientation algorithms replicate spacecraft dynamics to closely simulate the flight spacecraft s dynamics. SOA v8 represents large steps forward from SOA v7 in terms of quality, reliability, maintainability, efficiency, and user experience. A tailored agile development environment has been built around SOA that provides automated unit testing, continuous build and integration, a consolidated Web-based code and documentation storage environment, modern Java enhancements, and a focus on usability

Witoff, Robert J.↗

DOE OSTI2020

Update on the United States Advanced Ultra-Supercritical Program with Full Scale Component Fabrication to Develop Utility Scale Power Plants with 760°C Steam Temperature

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2018

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation in a Single Injector Cooling Flow

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient thin film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better turbulence models. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity and also the mean temperature and normalized root mean square (rms) temperatures in a single injector cooling flow arrangement. In addition to flowfield measurements, thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of radial and axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures and Mach numbers, across a 30.48 cm long plate equipped with a single injector cooling hole. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 15 axial stations were collected in the same flows. The velocity and temperature data were then compared against Wind-US CFD code predictions for the same flow conditions. The results of this and planned follow-on studies will support NASA's development and assessment of turbulence models for heated flows.

Raman Scattering↗

NASA NTRS2018

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation in a Single Injector Cooling Flow

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient thin film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better turbulence models. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity and also the mean temperature and normalized root mean square (rms) temperatures in a single injector cooling flow arrangement. In addition to flowfield measurements, thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of radial and axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures and Mach numbers, across a 30.48cm long plate equipped with a single injector cooling hole. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 15 axial stations were collected in the same flows. The velocity and temperature data were then compared against Wind-US CFD code predictions for the same flow conditions. The results of this and planned follow-on studies will support NASA's development and assessment of turbulence models for heated flows.

Wernet, Mark P.↗

NASA NTRS2018

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation in a Single Injector Cooling Flow

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient thin film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better turbulence models. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity and also the mean temperature and normalized root mean square (rms) temperatures in a single injector cooling flow arrangement. In addition to flowfield measurements, thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of radial and axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures and Mach numbers, across a 30.48cm long plate equipped with a single injector cooling hole. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 15 axial stations were collected in the same flows. The velocity and temperature data were then compared against Wind-US CFD code predictions for the same flow conditions. The results of this and planned follow-on studies will support NASA's development and assessment of turbulence models for heated flows.

Turbulence Modeling↗

DOE OSTI2022

The DESI N -body simulation project – I. Testing the robustness of simulations for the DESI dark time survey

ABSTRACT Analysis of large galaxy surveys requires confidence in the robustness of numerical simulation methods. The simulations are used to construct mock galaxy catalogues to validate data analysis pipelines and identify potential systematics. We compare three N-body simulation codes, abacus, gadget-2, and swift, to investigate the regimes in which their results agree. We run N-body simulations at three different mass resolutions, 6.25 × 108, 2.11 × 109, and 5.00 × 109 h−1 M⊙, matching phases to reduce the noise within the comparisons. We find systematic errors in the halo clustering between different codes are smaller than the Dark Energy Spectroscopic Instrument (DESI) statistical error for $s\ \gt\ 20\ h^{-1}$ Mpc in the correlation function in redshift space. Through the resolution comparison we find that simulations run with a mass resolution of 2.1 × 109 h−1 M⊙ are sufficiently converged for systematic effects in the halo clustering to be smaller than the DESI statistical error at scales larger than $20\ h^{-1}$ Mpc. These findings show that the simulations are robust for extracting cosmological information from large scales which is the key goal of the DESI survey. Comparing matter power spectra, we find the codes agree to within 1 per cent for k ≤ 10 h Mpc−1. We also run a comparison of three initial condition generation codes and find good agreement. In addition, we include a quasi-N-body code, FastPM, since we plan use it for certain DESI analyses. The impact of the halo definition and galaxy–halo relation will be presented in a follow-up study.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Perform Design Support with MCNP for New Measurements

This report incorporates our work carried out during our 5-month internship at LANL under an internship agreement with EAMEA (École des Applications Militaires de l’Énergie Atomique). After outlining the context in which we worked, we present our work as aid to modeling and predicting the neutronic behavior of nuclear systems, with a view to carrying out criticality experiments qualifying the MCNP code as part of innovative projects. Fourth generation reactors will enable to tackle a lot of issues such as environmental crisis, affordable energy access, and nuclear waste management. They seem to be one of the keys for a sustainable future. Most of the projects that emerge nowadays include the use of HALEU (high assay low enriched uranium) or MOX recycled fuels. Our projects are part of this dynamic and addresses concrete scientific research issues in the nuclear field. Studies of HALEU package are essential to anticipate the need, therefore the Optimus L (OPTImal Modular Universal Shipping cask technology) designed by NAC (Nuclear Assurance Corporation) international but filled with 20 % enriched uranium dioxide (UO 2 ) will be studied to support safe transportation. However, it seems there is no benchmark with a high correlation with the combination of this fuel and this package to validate MCNP simulations. As such, the study will focus on the development of new criticality safety benchmarks for this case. On the other hand, there is a great need for critical benchmarks in the intermediate energy range with MOX fuel. An IER (Integral Experiment Request) has then be requested to answer it through a partnership between French institution IRSN and U.S. Department of Energy's Nuclear Criticality Safety Program (NCSP). This experience planned for 2025 requires to gather calculated data through a MCNP model to be realized safely. Finally, a presentation of our one-week experience at the DAF as part of our discovery of criticality experiments will be introduced in Appendix 1: Week at the DAF (Device Assembly Facility)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗