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At least 847 records · Page 47

Thermal Safety Analyses for the Production of Plutonium-238 at the High Flux Isotope Reactor

There has been a considerable effort over the previous few years to demonstrate and optimize the production of plutonium-238 ( 238 Pu) at the High Flux Isotope Reactor (HFIR). This effort has involved resources from multiple divisions and facilities at the Oak Ridge National Laboratory (ORNL) to demonstrate the fabrication, irradiation, and chemical processing of targets containing neptunium-237 ( 237 Np) dioxide (NpO 2 )/aluminum (Al) cermet pellets. A critical preliminary step to irradiation at the HFIR is to demonstrate the safety of the target under irradiation via documented experiment safety analyses. The steady-state thermal safety analyses of the target are simulated in a finite element model with the COMSOL Multiphysics code that determines, among other crucial parameters, the limiting maximum temperature in the target. Safety analysis efforts for this model discussed in the present report include: (1) initial modeling of single and reduced-length pellet capsules in order to generate an experimental knowledge base that incorporate initial non-linear contact heat transfer and fission gas equations, (2) modeling efforts for prototypical designs of partially loaded and fully loaded targets using limited available knowledge of fabrication and irradiation characteristics, and (3) the most recent and comprehensive modeling effort of a fully coupled thermo-mechanical approach over the entire fully loaded target domain incorporating burn-up dependent irradiation behavior and measured target and pellet properties, hereafter referred to as the production model. These models are used to conservatively determine several important steady-state parameters including target stresses and temperatures, the limiting condition of which is the maximum temperature with respect to the melting point. The single pellet model results provide a basis for the safety of the irradiations, followed by parametric analyses in the initial prototypical designs that were necessary due to the limiting fabrication and irradiation data available. The calculated parameters in the final production target model are the most accurate and comprehensive, while still conservative. Over 210 permutations in irradiation time and position were evaluated, and are supported by the most recent inputs and highest fidelity methodology. The results of these analyses show that the models presented in this report provide a robust and reliable basis for previous, current and future experiment safety analyses. In addition, they reveal an evolving knowledge of the steady-state behavior of the NpO 2 /Al pellets under irradiation for a variety of target encapsulations and potential conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ROS-DOE: Leveraging Open-Source Robotics Software for the DOE-EM Mission? - 17181

In order to establish a common software framework for its robotic systems, the United States Department of Energy - Environmental Management (DOE-EM) is considering the possibility of extending the Robot Operating System (ROS) open source robotics software to address the varied, complex challenges facing DOE-EM. The effort, preliminarily called ROS-DOE, would enhance the reliability, robustness, security, and user friendliness of ROS to meet the requirements of the nuclear waste remediation mission, and those of DOE as a whole. As envisioned, the ROS DOE program would also support rapid progress to mature cross-cutting capabilities including supervised autonomy, inter-operability with off-the-shelf industrial equipment, and physics-based robot simulation (i.e., Gazebo). This paper provides background context about the current state of ROS software and its supporting community, surveys DOE-EM needs and requirements for robotic solutions, and analyzes the gaps between the current state of ROS and those needed for DOE-EM robotics. It then identifies new capabilities that are recommended for ROS-DOE and outlines software development practices that could be leveraged to blend the best of the open-source world with high-reliability software development practices. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Estimation of Fission Product Transport Parameters for Cesium in the AGR-3/4 TRISO Fuel Experiment

A one-dimensional (1D) finite-element model of fission product transport in the AGR-3/4 experiment has been developed using the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and implemented in the fuel performance code, BISON. The model resolves capsule-specific geometries, materials, and temperature histories and simulates radial migration of fission products from the fuel compact through the inner ring, outer ring, and into the sink ring. Model parameters governing diffusion and sorption were estimated for key fission products – cesium (Cs), and europium (Eu) – by simultaneously fitting modeled isotopic concentration profiles and total ring inventories to a post-irradiation experimental measurement. These data include gamma scanning, liquid scintillation for Sr-90, radial deconsolidation leach-burn-leach analysis, tomographic reconstructions, and destructive physical sampling. A mortar-based interfacial sorption framework was implemented to enforce physically consistent mass transfer and flux conservation across gas gaps. Two classes of parameter sets were derived: a least-squares best-fit, and a safety-oriented conservative-fit, what applies strong penalties for underprediction of sink inventories. Across all twelve capsules, the model successfully reproduces the dominant radial transport trends for Cs, Sr, with decreasing concentrations from the compact outward through successive rings. Cs behavior is captured most consistently, while strontium predictions reveal systematic trade-offs between compact accuracy and conservative sink-ring bounding. The results demonstrate that sink ring weighted calibration provides conservative, safety relevant bounds on low temperature fission product transport, but at the cost of underpredicting compact inventories for Sr isotopes. These discrepancies highlight the need for additional physics, including fast-slow diffusion model, incorporating trapping mechanism in the transport behavior. Overall, this work establishes a robust, capsule-specific modeling framework for AGR-3/4 fission product transport and provides a defensible basis for parameter selection in source-term and fuel performance analyses for high temperature gas-cooled reactors.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Computer model for electrochemical cell performance loss over time in terms of capacity, power, and conductance (CPC)

Available capacity, power, and cell conductance figure centrally into performance characterization of electrochemical cells (such as Li-ion cells) over their service life. For example, capacity loss in Li-ion cells is due to a combination of mechanisms, including loss of free available lithium, loss of active host sites, shifts in the potential-capacity curve, etc. Further distinctions can be made regarding irreversible and reversible capacity loss mechanisms. There are tandem needs for accurate interpretation of capacity at characterization conditions (cycling rate, temperature, etc.) and for robust self-consistent modeling techniques that can be used for diagnostic analysis of cell data as well as forecasting of future performance. Analogous issues exist for aging effects on cell conductance and available power. To address these needs, a modeling capability was developed that provides a systematic analysis of the contributing factors to battery performance loss over aging and to act as a regression/prediction platform for cell performance. The modeling basis is a summation of self-consistent chemical kinetics rate expressions, which as individual expressions each covers a distinct mechanism (e.g., loss of active host sites, lithium loss), but collectively account for the net loss of premier metrics (e.g., capacity) over time for a particular characterization condition. Specifically, sigmoid-based rate expressions are utilized to describe each contribution to performance loss. Through additional mathematical development another tier of expressions is derived and used to perform differential analyses and segregate irreversible versus reversible contributions, as well as to determine concentration profiles over cell aging for affected Li+ ion inventory and fraction of active sites that remain at each time step. Reversible fade components are surmised by comparing fade rates at fast versus slow cycling conditions. The model is easily utilized for predictive calculations so that future capacity performance can be estimated. The invention covers mathematical and theoretical frameworks, and demonstrates application to various Li-ion cells covering test periods that vary in duration, and shows model predictions well past the end of test periods. Version 2.0 Enhancements: the code now covers path-dependent aging scenarios, wherein the framework allows for arbitrarily-chosen aging conditions over a timeline to accommodate prediction of battery aging over a multiplicity of changing conditions. The code framework also allows for cell conductance and power loss evaluations over cell aging, analysis of series strings that contain a thermal anomaly (hot spot), and evaluation of battery thermal management parameters that impact battery lifetimes. Lastly, a comprehensive GUI now resides in the Ver. 2.0 code.

Gering, KevinL.↗

SU-C-201-07: Towards Clinical Cherenkov Emission Dosimetry: Stopping Power-To-Cherenkov Power Ratios and Beam Quality Specification of Clinical Electron Beams

Purpose: We propose a Cherenkov emission (CE)-based reference dosimetry method, which in contrast to ionization chamber-based dosimetry, employs spectrum-averaged electron restricted mass collision stopping power-to-Cherenkov power ratios (SCRs), and we examine Monte Carlo-calculated SCRs and beam quality specification of clinical electron beams. Methods: The EGSnrc user code SPRRZnrc was modified to compute SCRs instead of stopping-power ratios (single medium: water; cut-off: CE threshold (observing Spencer-Attix conditions); CE power: Frank-Tamm). SCRs are calculated with BEAMnrc for realistic electron beams with nominal energies of 6–22 MeV from three Varian accelerators (TrueBeam Clinac 21EX, Clinac 2100C/D) and for mono-energetic beams of energies equal to the mean electron energy at the water surface. Sources of deviation between clinical and mono-energetic SCRs are analyzed quantitatively. A universal fit for the beam-quality index R{sub 50} in terms of the depth of 50% CE C{sub 50} is carried out. Results: SCRs at reference depth are overestimated by mono-energetic values by up to 0.2% for a 6-MeV beam and underestimated by up to 2.3% for a 22-MeV beam. The variation is mainly due to the clinical beam spectrum and photon contamination. Beam angular spread has a small effect across all depths and energies. The influence of the electron spectrum becomes increasingly significant at large depths, while at shallow depths and high beam energies photon contamination is predominant (up to 2.0%). The universal data fit reveals a strong linear correlation between R{sub 50} and C{sub 50} (ρ > 0.99999). Conclusion: CE is inherent to radiotherapy beams and can be detected outside the beam with available optical technologies, which makes it an ideal candidate for out-of-beam high-resolution 3D dosimetry. Successful clinical implementation of CE dosimetry hinges on the development of robust protocols for converting measured CE to radiation dose. Our findings constitute a key step towards clinical CE dosimetry.

60 APPLIED LIFE SCIENCES↗

Neutron Capture Energies for Flux Normalization and Approximate Model for Gamma-Smeared Power

The Consortium for Advanced Simulation of Light Water Reactors (CASL) Virtual Environment for Reactor Applications (VERA) neutronics simulator MPACT has used a single recoverable fission energy for each fissionable nuclide assuming that all recoverable energies come only from fission reaction, for which capture energy is merged with fission energy. This approach includes approximations and requires improvement by separating capture energy from the merged effective recoverable energy. This report documents the procedure to generate recoverable neutron capture energies and the development of a program called CapKappa to generate capture energies. Recoverable neutron capture energies have been generated by using CapKappa with the evaluated nuclear data file (ENDF)/B-7.0 and 7.1 cross section and decay libraries. The new capture kappas were compared to the current SCALE-6.2 and the CASMO-5 capture kappas. These new capture kappas have been incorporated into the Simplified AMPX 51- and 252-group libraries, and they can be used for the AMPX multigroup (MG) libraries and the SCALE code package. The CASL VERA neutronics simulator MPACT does not include a gamma transport capability, which limits it to explicitly estimating local energy deposition from fission, neutron, and gamma slowing down and capture. Since the mean free path of gamma rays is typically much longer than that for the neutron, and the total gamma energy is about 10% to the total energy, the gamma-smeared power distribution is different from the fission power distribution. Explicit local energy deposition through neutron and gamma transport calculation is significantly important in multi-physics whole core simulation with thermal-hydraulic feedback. Therefore, the gamma transport capability should be incorporated into the CASL neutronics simulator MPACT. However, this task will be timeconsuming in developing the neutron induced gamma production and gamma cross section libraries. This study is to investigate an approximate model to estimate gammasmeared power distribution without performing any gamma transport calculation. A simple approximate gamma smearing model has been investigated based on the facts that pinwise gamma energy depositions are almost flat over a fuel assembly, and assembly-wise gamma energy deposition is proportional to kappa-fission energy deposition. The approximate gamma smearing model works well for single assembly cases, and can partly improve the gamma smeared power distribution for the whole core model. Although the power distributions can be improved by the approximate gamma smearing model, still there is an issue to explicitly obtain local energy deposition. A new simple approach or gamma transport/diffusion capability may need to be incorporated into MPACT to estimate local energy deposition for more robust multi-physics simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

THE SWIFT X-RAY TELESCOPE CLUSTER SURVEY. III. CLUSTER CATALOG FROM 2005-2012 ARCHIVAL DATA

We present the Swift X-ray Cluster Survey (SWXCS) catalog obtained using archival data from the X-ray telescope (XRT) on board the Swift satellite acquired from 2005 February to 2012 November, extending the first release of the SWXCS. The catalog provides positions, soft fluxes, and, when possible, optical counterparts for a flux-limited sample of X-ray group and cluster candidates. We consider the fields with Galactic latitude |b| > 20° to avoid high H I column densities. We discard all of the observations targeted at groups or clusters of galaxies, as well as particular extragalactic fields not suitable to search for faint extended sources. We finally select ∼3000 useful fields covering a total solid angle of ∼400 deg{sup 2}. We identify extended source candidates in the soft-band (0.5-2 keV) images of these fields using the software EXSdetect, which is specifically calibrated for the XRT data. Extensive simulations are used to evaluate contamination and completeness as a function of the source signal, allowing us to minimize the number of spurious detections and to robustly assess the selection function. Our catalog includes 263 candidate galaxy clusters and groups down to a flux limit of 7 × 10{sup –15} erg cm{sup –2} s{sup –1} in the soft band, and the logN-logS is in very good agreement with previous deep X-ray surveys. The final list of sources is cross-correlated with published optical, X-ray, and Sunyaev-Zeldovich catalogs of clusters. We find that 137 sources have been previously identified as clusters in the literature in independent surveys, while 126 are new detections. Currently, we have collected redshift information for 158 sources (60% of the entire sample). Once the optical follow-up and the X-ray spectral analysis of the sources are complete, the SWXCS will provide a large and well-defined catalog of groups and clusters of galaxies to perform statistical studies of cluster properties and tests of cosmological models.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-F-BRD-01: A Novel 4D Robust Optimization Mitigates Interplay Effect in Intensity-Modulated Proton Therapy for Lung Cancer

Purpose: To compare the impact of interplay effect on 3D and 4D robustly optimized intensity-modulated proton therapy (IMPT) plans to treat lung cancer. Methods: Two IMPT plans were created for 11 non-small-cell-lung-cancer cases with 6–14 mm spots. 3D robust optimization generated plans on average CTs with the internal gross tumor volume density overridden to deliver 66 CGyE in 33 fractions to the internal target volume (ITV). 4D robust optimization generated plans on 4D CTs with the delivery of prescribed dose to the clinical target volume (CTV). In 4D optimization, the CTV of individual 4D CT phases received non-uniform doses to achieve a uniform cumulative dose. Dose evaluation software was developed to model time-dependent spot delivery to incorporate interplay effect with randomized starting phases of each field per fraction. Patient anatomy voxels were mapped from phase to phase via deformable image registration to score doses. Indices from dose-volume histograms were used to compare target coverage, dose homogeneity, and normal-tissue sparing. DVH indices were compared using Wilcoxon test. Results: Given the presence of interplay effect, 4D robust optimization produced IMPT plans with better target coverage and homogeneity, but slightly worse normal tissue sparing compared to 3D robust optimization (unit: Gy) [D95% ITV: 63.5 vs 62.0 (p=0.014), D5% - D95% ITV: 6.2 vs 7.3 (p=0.37), D1% spinal cord: 29.0 vs 29.5 (p=0.52), Dmean total lung: 14.8 vs 14.5 (p=0.12), D33% esophagus: 33.6 vs 33.1 (p=0.28)]. The improvement of target coverage (D95%,4D – D95%,3D) was related to the ratio RMA3/(TVx10−4), with RMA and TV being respiratory motion amplitude (RMA) and tumor volume (TV), respectively. Peak benefit was observed at ratios between 2 and 10. This corresponds to 125 – 625 cm3 TV with 0.5-cm RMA. Conclusion: 4D optimization produced more interplay-effect-resistant plans compared to 3D optimization. It is most effective when respiratory motion is modest compared to TV. NIH/NCI K25CA168984; Eagles Cancer Research Career Development; The Lawrence W. and Marilyn W. Matteson Fund for Cancer Research; Mayo ASU Seed Grant; The Kemper Marley Foundation.

60 APPLIED LIFE SCIENCES↗

SPARC-X: Quantum simulations at extreme scale - reactive dynamics from first principles

We have developed the massively parallel electronic structure code SPARC-X: a computational framework for performing Kohn-Sham Density Functional Theory (DFT) calculations that can scale linearly with the number of atoms in the system, while being able to leverage petascale and emerging exascale parallel computers to study chemical phenomena at unprecedented length and time scales. SPARC-X exploits a recent breakthrough in electronic structure methodologies: systematically improvable, strictly local, orthonormal, discontinuous real-space bases that efficiently and systematically capture the local chemistry of the system. With further adaptation using new machine-learning techniques and the use of the massively parallel Spectral Quadrature (SQ) electronic structure method, the algorithmic complexity and prefactor associated with DFT calculations involving semilocal as well as hybrid functionals are dramatically reduced. Using petascale computational resources, SPARC-X enables quantum mechanical simulations at length and time scales previously accessible only by empirical approaches, e.g., 1,000,000 atoms for a few picoseconds using semilocal functionals or 1,000 atoms for a few picoseconds using hybrid functionals. Using exascale resources, the sizes and times targeted are two orders of magnitude larger. Such a capability has applications in a wide variety of chemical sciences, including reactive interfaces where large length- and/or long time-scales are needed and traditional force fields fail. This is particularly important in dynamic catalysis, where bond breaking and formation must be understood in detail. We developed, tested, and employed the SPARC-X framework to understand the photocatalytic properties of TiO 2 nanoparticles, revealing finite size effects that cannot be captured with standard model systems or functionals. This integrated development and application strategy ensures that SPARC-X remains a robust, efficient, and scalable software package for quantum simulations on current petascale and emerging exascale computing resources.

97 MATHEMATICS AND COMPUTING↗

Analog-to-digital converter based on voltage-controlled superconducting devices

The increasing demand for cryogenic electronics in superconducting and quantum computing systems calls for ultra-energy-efficient data conversion architectures that remain functional at deep cryogenic temperatures. Here, in this work, we present the first design of a voltage-controlled superconducting flash analog-to-digital converter (ADC) based on a voltage-controlled quantum-enhanced Josephson junction field-effect transistor (JJFET). Exploiting its strong gate tunability and transistor-like behavior, the JJFET offers a scalable alternative to conventional current-controlled superconducting devices while aligning naturally with CMOS-style design methodologies. Building on our previously developed Verilog-A compact model calibrated to experimental data, we design and simulate a three-bit JJFET-based flash ADC targeted for integration within cryogenic control and readout circuitry in quantum computing. The core comparator block is realized through careful bias current selection and augmented with a three-terminal nanocryotron to precisely define reference voltages. Cascaded JJFET comparators ensure robust voltage gain, cascadability, and logic-level restoration across stages. Simulation results demonstrate accurate quantization behavior with ultra-low power dissipation, underscoring the feasibility of voltage-driven superconducting mixed-signal circuits. This work establishes a critical step toward unifying superconducting logic and data conversion, paving the way for scalable cryogenic architectures in quantum–classical co-processors, low-power artificial intelligence accelerators, and next-generation energy-constrained computing platforms.

Analog-to-digital converter↗

SU-E-T-152: Building An Ultrafast, Earthquake Proof Treatment Planning System

Purpose: Situated 20 miles from 5 major fault lines in California’s Bay Area, Stanford Universityhas a critical need for IT infrastructure planning to handle the high probability devastating earthquakes. Recently, a multi-million dollar project has been underway to overhaul Stanford’s radiation oncology information systems, maximizing planning system performance and providing true disaster recovery abilities. An overview of the project will be given with particular focus on lessons learned throughout the build. Methods: In this implementation, two isolated external datacenters provide geographical redundancy to Stanford’s main campus datacenter. Real-time mirroring is made of all data stored to our serial attached network (SAN) storage. In each datacenter, hardware/software virtualization was heavily implemented to maximize server efficiency and provide a robust mechanism to seamlessly migrate users in the event of an earthquake. System performance is routinely assessed through the use of virtualized data robots, able to log in to the system at scheduled times, perform routine planning tasks and report timing results to a performance dashboard. A substantial dose calculation framework (608 CPU cores) has been constructed as part of the implementation. Results: Migration to a virtualized server environment with a high performance SAN has resulted in up to a 45% speed up of common treatment planning tasks. Switching to a 608 core DCF has resulted in a 280% speed increase in dose calculations. Server tuning was found to further improved read/write performance by 20%. Disaster recovery tests are carried out quarterly and, although successful, remain time consuming to perform and verify functionality. Conclusion: Achieving true disaster recovery capabilities is possible through server virtualization, support from skilled IT staff and leadership. Substantial performance improvements are also achievable through careful tuning of server resources and disk read/write operations. Developing a streamlined method to comprehensively test failover is a key requirement to the system’s success.

60 APPLIED LIFE SCIENCES↗

SU-G-TeP4-06: An Integrated Application for Radiation Therapy Treatment Plan Directives, Management, and Reporting

Purpose: With electronic medical records, patient information for the treatment planning process has become disseminated across multiple applications with limited quality control and many associated failure modes. We present the development of a single application with a centralized database to manage the planning process. Methods: The system was designed to replace current functionalities of (i) static directives representing the physician intent for the prescription and planning goals, localization information for delivery, and other information, (ii) planning objective reports, (iii) localization and image guidance documents and (iv) the official radiation therapy prescription in the medical record. Using the Eclipse Scripting Application Programming Interface, a plug-in script with an associated domain-specific SQL Server database was created to manage the information in (i)–(iv). The system’s user interface and database were designed by a team of physicians, clinical physicists, database experts, and software engineers to ensure usability and robustness for clinical use. Results: The resulting system has been fully integrated within the TPS via a custom script and database. Planning scenario templates, version control, approvals, and logic-based quality control allow this system to fully track and document the planning process as well as physician approval of tradeoffs while improving the consistency of the data. Multiple plans and prescriptions are supported along with non-traditional dose objectives and evaluation such as biologically corrected models, composite dose limits, and management of localization goals. User-specific custom views were developed for the attending physician review, physicist plan checks, treating therapists, and peer review in chart rounds. Conclusion: A method was developed to maintain cohesive information throughout the planning process within one integrated system by using a custom treatment planning management application that interfaces directly with the TPS. Future work includes quantifying the improvements in quality, safety and efficiency that are possible with the routine clinical use of this system. Supported in part by NIH-P01-CA-059827.

60 APPLIED LIFE SCIENCES↗

Refreshing Waste Tracking Software for the 2020's - 20059

The Waste Compliance and Tracking System (WCATS) is a software application designed to manage waste operations from cradle to grave. The system provides the support needed for characterization, generation, processing, and shipment of all waste generated or stored at Los Alamos National Laboratory (LANL). Waste is tracked with task records for containers in real-time via both desktop and mobile device applications. The software allows application administrators to configure sites with appropriate limits for Pu-239 equivalent Curies (PE-Ci), fissile gram equivalents (FGEs), volume limits, as well as custom limits for site-specific technical safety requirements (TSRs). WCATS was developed based on a need at Los Alamos National Laboratory for a modern, customizable waste tracking system that could support many different waste types. The application is built using Oracle{sup R} database and Oracle{sup R} ADF Swing application framework. The technologies and software frameworks selected for the system were finalized in 2006. Although Oracle{sup R} Database has proven to be robust, the user interface and application framework interface with the database have been deprecated and need to be replaced. The technologies selected for modernization follow the open-source model, which allows the WCATS team to more easily recruit developers, improve the speed of development, and ease the deployment and adoption of the system. The tools that support the re-engineering effort are Vue.js{sup R}, a JavaScript{sup R} framework, and Spring Boot{sup R}, an API (application programming interface) development tool written in Java{sup R}. An API allows for simplified communication from the database to the user interface of the application. In addition, legacy Crystal Reports{sup R} will be replaced with reports developed with the open source Pentaho{sup TM}f Report Designer community edition. Because the application uses HTML and JavaScript{sup R}, it builds upon tools that have been used for many years in web development. These tools have large community support and their proven track record will ensure that enhancements to WCATS can continue for years to come. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Progress in preparing scenarios for operation of the International Thermonuclear Experimental Reactor

The development of operating scenarios is one of the key issues in the research for ITER which aims to achieve a fusion gain (Q) of ∼10, while producing 500 MW of fusion power for ≥300 s. The ITER Research plan proposes a success oriented schedule starting in hydrogen and helium, to be followed by a nuclear operation phase with a rapid development towards Q ∼ 10 in deuterium/tritium. The Integrated Operation Scenarios Topical Group of the International Tokamak Physics Activity initiates joint activities among worldwide institutions and experiments to prepare ITER operation. Plasma formation studies report robust plasma breakdown in devices with metal walls over a wide range of conditions, while other experiments use an inclined EC launch angle at plasma formation to mimic the conditions in ITER. Simulations of the plasma burn-through predict that at least 4 MW of Electron Cyclotron heating (EC) assist would be required in ITER. For H-modes at q{sub 95} ∼ 3, many experiments have demonstrated operation with scaled parameters for the ITER baseline scenario at n{sub e}/n{sub GW} ∼ 0.85. Most experiments, however, obtain stable discharges at H{sub 98(y,2)} ∼ 1.0 only for β{sub N} = 2.0–2.2. For the rampup in ITER, early X-point formation is recommended, allowing auxiliary heating to reduce the flux consumption. A range of plasma inductance (l{sub i}(3)) can be obtained from 0.65 to 1.0, with the lowest values obtained in H-mode operation. For the rampdown, the plasma should stay diverted maintaining H-mode together with a reduction of the elongation from 1.85 to 1.4. Simulations show that the proposed rampup and rampdown schemes developed since 2007 are compatible with the present ITER design for the poloidal field coils. At 13–15 MA and densities down to n{sub e}/n{sub GW} ∼ 0.5, long pulse operation (>1000 s) in ITER is possible at Q ∼ 5, useful to provide neutron fluence for Test Blanket Module assessments. ITER scenario preparation in hydrogen and helium requires high input power (>50 MW). H-mode operation in helium may be possible at input powers above 35 MW at a toroidal field of 2.65 T, for studying H-modes and ELM mitigation. In hydrogen, H-mode operation is expected to be marginal, even at 2.65 T with 60 MW of input power. Simulation code benchmark studies using hybrid and steady state scenario parameters have proved to be a very challenging and lengthy task of testing suites of codes, consisting of tens of sophisticated modules. Nevertheless, the general basis of the modelling appears sound, with substantial consistency among codes developed by different groups. For a hybrid scenario at 12 MA, the code simulations give a range for Q = 6.5–8.3, using 30 MW neutral beam injection and 20 MW ICRH. For non-inductive operation at 7–9 MA, the simulation results show more variation. At high edge pedestal pressure (T{sub ped} ∼ 7 keV), the codes predict Q = 3.3–3.8 using 33 MW NB, 20 MW EC, and 20 MW ion cyclotron to demonstrate the feasibility of steady-state operation with the day-1 heating systems in ITER. Simulations using a lower edge pedestal temperature (∼3 keV) but improved core confinement obtain Q = 5–6.5, when ECCD is concentrated at mid-radius and ∼20 MW off-axis current drive (ECCD or LHCD) is added. Several issues remain to be studied, including plasmas with dominant electron heating, mitigation of transient heat loads integrated in scenario demonstrations and (burn) control simulations in ITER scenarios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NucMesh: nuclear reactor geometry creation and mesh generation module in NEMoSys

NucMesh is a parameterized geometry and mesh generator for nuclear reactors developed within the Nuclear Energy Modeling System NEMoSys at Illinois Rocstar. NEMoSys is a platform developed for mesh generation, adaptive refinement, and solution verification. NucMesh is implemented to be generalized and extensible with a robust computer aided design engine and multiple mesh generation algorithms for unstructured triangular, quad-dominant, and structured quadrilateral meshing. In this paper, we present the geometric and meshing features of NucMesh. Geometrically objects are constructed bottom-to-top and overlaps are addressed automatically. A sophisticated object tracking algorithm prevents data from being lost for segmented objects. We discuss the primitive objects of circle and polygons that constitute the module and show how they are used with example inputs. Arrays of primitives and arrays of arrays are utilized to build large assemblies of objects. The concept of saved objects is discussed to demonstrate how repetitive objects can be reused easily and augmented in place. Three dimensional meshes can be obtained through mesh extrusion where all materials and side sets are extended to three dimensions. We show that side sets can be defined nearly anywhere within the geometry and can then be applied to the mesh. Finally, example reactor meshes are demonstrated for the Idaho National Laboratory Advanced Test Reactor and Los Alamos National Lab Empire reactor, both of which use control drums that NucMesh handles easily. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Identification of Leakage Spectra from Neutron Activation in Glass/Cherenkov Detectors - Paper 96

Oak Ridge National Laboratory has developed a new detector system concept that can be deployed in major US cities to identify the leakage spectrum of a nuclear weapon detonation. The detector is based on a small piece of glass that has been doped with an element that has a high activation cross section and creates a radioactive activation product with a reasonable length half-life. The decay of the activation product(s) after exposure creates Cherenkov light which can propagate to a photomultiplier and can be turned into a count-rate signal. The signal from each glass in each detector in a city can be individually analyzed to determine the amount of activation products produced in the initial exposure. Several activation products can be determined in a single glass if the half-lives are not the same. With a known source location and a detailed 3D model of a city, neutron transport simulations can be made by using a library of known sources to predict the activation amounts each source would have made in the glass detectors. A simple comparison of the measured activation amounts and the predicted activation amounts can identify the source spectrum contained in the library that is the best match. Choosing dopants with a large range in the threshold energy for the activation reactions can help to differentiate the spectra in the library. The method of matching the measured activation amounts to the predicted activation amounts to identify the source spectrum is similar to the analysis used for the passive Activation Foil Integrated Detector System (AFIDS), also developed at Oak Ridge National Laboratory. In AFIDS, wires or foils of known mass and isotopic composition are deployed before and then collected after exposure. Counting gammas in a nearby laboratory determines the activation amounts. The glass/Cherenkov system is active - it uses a battery-powered detector to count flashes of Cherenkov light and to communicate its count rates to a remote location for further analysis. Work has been performed in several areas, including glass making, automated detection and communication systems and software tools for analysis of the signal and source spectrum identification. Bell and Boatner have developed phosphate glasses that incorporate elements with high capture cross sections, and Hayward has simulated the response with Geant4 and measured the response with isotopic gamma sources. This paper will focus on the software tools for determining the activation amounts from the Cherenkov count-rate signal and finding the best matching source spectrum. A test problem in an urban environment is used to demonstrate the potential of a spectrum identification system using neutron activation. The analysis methods developed to identify the neutron leakage spectra from Cherenkov light given off by neutron activation in doped glasses work well. The calculation used to unfold the count-rate information into the number of actual activation products uses robust algorithms that can also compute associated uncertainties. These uncertainties and the known uncertainties of the glass tube material compositions are incorporated into the matching analysis to determine which of the source spectra in the library best matches the measured activation data. Any measurement method used to identify a neutron source spectrum relies at some point on a comparison against known sources; no identification method is definitive. Detection systems measure some physical aspect of the source, not its serial number. Many systems measure the physical aspect to determine that the source has some property, and then leave it to experts to determine which potential sources share that property. The analysis system presented here incorporates the comparison into the analysis itself. The statistical tests show which of the known library sources match the measured data the best and whether that match is a good match. If the best match still does not fit the measured data well (a very high χ{sup 2} value), that indicates the true source is not one of the sources in the library. This is still valuable information for decision makers. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗

kynema-fmb [SWR-23-07]

Kynema-FMB (FKA: Kynema) is an open-source performance portable flexible multibody (FMB) dynamics solver designed for time-domain simulations. While originally tailored for wind turbine structural dynamics, the formulation and implementation are those of a general flexible-multidbody dynamics solver that can readily be applied to a wide range of systems. Kynema was designed with a narrow focus, namely to provide a lightweight, fast, accurate FMD solver for coupling to computational-fluid-dynamics (CFD) codes, especially the CFD codes in the Kynema suite, for fluid-structure-interaction (FSI) simulations. Kynema-FMB is equipped to model systems that can be represented as a collection of beams and rigid bodies that are connected through constraints. Degrees of freedom are defined in the inertial/global frame of reference and include displacements and rotations (formally as rotation matrices, but stored as quaternions). The underlying formulation is built on a Lie-group time integrator designed for index-3 differential-algebraic equations, which is second-order accurate in time (Bruls et al., 2012). Beam models are based on geometrically exact beam theory and are discretized as high-order spectral finite elements similar to those in BeamDyn (Wang et al., 2017). The governing equations for a FMD system like a wind turbine constitute a highly nonlinear system of constrained partial-differential equations. Kynema-FMB uses analytical Jacobians in the nonlinear-system solves in each time step. Linear systems use sparse storage and several third-party sparse-linear-system solvers are enabled. Ill conditioning of linear systems is mitigated with preconditioning described in Bottasso et al, 2008. Kynema-FMB is integrated with a simple open-source controller (ROSCO). There is an application programming interface (API) for coupling to geometry-resolved CFD (like that in Sharma et al., 2023) and actuator-force CFD (like that in Kuhn et al., 2025). In the latter, for actuator-line models, Kynema-FMB includes an internal blade-element solver that depends on user-provided lookup tables for coefficients of lift and drag, i.e., aerodynamic polars. Kynema-FMB is written in C++ and leverages Kokkos and Kokkos-Kernels (KokkosEcosystem) as its performance portability layer enabling simulations on both CPU and GPU systems. The repository is equipped with extensive automated testing at the unit and regression/system levels. The following describes the high-level development objectives conceived for Kynema: *Kynema will follow modern software development best practices, including test-driven development (TDD), version control, hierarchical automated testing, and continuous integration (CI) for a robust development environment. *The core data structures are memory efficient and enable vectorization and parallelization at multiple levels. *Data structures are data-oriented to exploit methods for accelerated computing including high utilization of chip resources (e.g., single instruction multiple data (SIMD) instruction sets) and parallelization using GP-GPUs. *The computational algorithms incorporate robust open-source libraries for mathematical operations, resource allocation, and data management. *The API design considers multiple stakeholder needs and ensure integration with existing and future ecosystems for data science, machine learning, and AI. *Kynema-FMB is written in modern C++ and leverages Kokkos as its performance-portability library with inspiration from the kynema stack.

Sprague, MichaelA.↗