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At least 1,369 records · Page 76

Elevating zero dimensional global scaling predictions to self-consistent theory-based simulations

In this work, we have developed an innovative workflow, Stability, Transport, Equilibrium, and Pedestal (STEP)-zero-dimensional (0D), within the OMFIT integrated modeling framework. Through systematic validation against the International Tokamak Physics Activity global H-mode confinement database, we demonstrated that STEP-0D, on average, predicts the energy confinement time with a mean relative error of less than 19%. Moreover, this workflow showed promising potential in predicting plasmas for proposed fusion reactors such as the affordable, robust, compact (ARC) reactor, the European demonstration power plant (EU-DEMO), and the China fusion engineering test reactor (CFETR) indicating moderate H-factors between 0.9 and 1.2. STEP-0D allows theory-based prediction of tokamak scenarios, beginning with 0D quantities. The workflow initiates with the PRO-create module, generating physically consistent plasma profiles and equilibrium using the same 0D quantities as the IPB98(y,2) confinement scaling. This sets the starting point for the STEP module, which further iterates between theory-based physics models of equilibrium, core transport, and pedestal to yield a self-consistent solution. Given these attributes, STEP-0D not only improves the accuracy of predicting plasma performance but also provides a path toward a novel fusion power plant design workflow. When integrated with engineering and costing models within an optimization, this new approach could eliminate the iterative reconciliation between plasma models of varying fidelity. This potential for a more efficient design process underpins STEP-0D's significant contribution to future fusion power plant development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A semi-supervised machine learning detector for physics events in tokamak discharges

Databases of physics events have been used in various fusion research applications, including the development of scaling laws and disruption avoidance algorithms, yet they can be time-consuming and tedious to construct. This paper presents a novel application of the label spreading semi-supervised learning algorithm to accelerate this process by detecting distinct events in a large dataset of discharges, given few manually labeled examples. A high detection accuracy (> 85%) for H-L back transitions and initially rotating locked modes is demonstrated on a dataset of hundreds of discharges from DIII-D with manually identified events for which only 3 discharges are initially labeled by the user. Lower yet reasonable performance (~75%) is also demonstrated for the core radiative collapse, an event with a much lower prevalence in the dataset. Additionally, analysis of the performance sensitivity indicates that the same set of algorithmic parameters is optimal for each event. Furthermore, this suggests that the method can be applied to detect a variety of other events not included in this paper, given that the event is well described by a set of 0D signals robustly available on many discharges. Procedures for analysis of new events are demonstrated, showing automatic event detection with increasing fidelity as the user strategically adds manually labeled examples. Detections on Alcator C-Mod and EAST are also shown, demonstrating the potential for this to be used on a multi-tokamak dataset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Radiation-Hard 8-Channel 15-Bit 40-MSPS ADC for the ATLAS Liquid Argon Calorimeter Readout

The custom design of a radiation-hardened, 8-channel, 40-MSPS, 15-bit resolution, 14.2-bit dynamic range, 11.4-ENOB ADC data acquisition ASIC fabricated in a commercial 65-nm triple-well CMOS technology is presented. The ADC is developed for and integrates seamlessly into the readout system for the ATLAS liquid argon (LAr) calorimeter in the high-luminosity large hadron collider (HLLHC) upgrade at CERN, which will require a total of 364 936 ADC channels. A three-stage MDAC+SAR pipelined ADC architecture was designed to meet the physics requirements and scientific goals of the ATLAS experiment. The ADC is a fully self-contained data acquisition system that includes foreground calibration, digital data processing, digital control, and supporting circuitry. The measured performance shows the ADC achieves a competitive dynamic range and SNDR, and it meets or exceeds the ATLAS analog requirements. Radiation tolerance and scalability design considerations were implemented at the device-, circuit-, and system-level. Radiation-hardening-by-design techniques used include redundancy for digital circuits, the use of MiM capacitors, and a hybrid RC-DAC for the ADC core. The ADC ASIC was demonstrated to be robust against the effects of the intense radiation expected in the HL-LHC experimental environment.

DAQ↗

A semi-supervised machine learning detector for physics events in tokamak discharges

Databases of physics events have been used in various fusion research applications, including the development of scaling laws and disruption avoidance algorithms, yet they can be time-consuming and tedious to construct. This paper presents a novel application of the label spreading semi-supervised learning algorithm to accelerate this process by detecting distinct events in a large dataset of discharges, given few manually labeled examples. A high detection accuracy (>85%) for H-L back transitions and initially rotating locked modes is demonstrated on a dataset of hundreds of discharges from DIII-D with manually identified events for which only 3 discharges are initially labeled by the user. Lower yet reasonable performance (~75%) is also demonstrated for the core radiative collapse, an event with a much lower prevalence in the dataset. Additionally, analysis of the performance sensitivity indicates that the same set of algorithmic parameters is optimal for each event. This suggests that the method can be applied to detect a variety of other events not included in this paper, given that the event is well described by a set of 0D signals robustly available on many discharges. Procedures for analysis of new events are demonstrated, showing automatic event detection with increasing fidelity as the user strategically adds manually labeled examples. Detections on Alcator C-Mod and EAST are also shown, demonstrating the potential for this to be used on a multi-tokamak dataset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-zone shell and tube heat exchanger

A shell and tube heat exchanger has elongated shell having first and second opposing ends and an open interior. A core divides the open interior of the shell into first and second enclosed portions. The shell has first and second tube fluid openings at opposing ends. End plates divide the first and second enclosed portions into manifold portions and enclosed shell chamber portions. Tubes extend from the end plates, through the enclosed shell chambers to the core. Shell fluid openings are at sides of the elongated shell, a first fluid opening communicating with the first shell chamber, and a second fluid opening communicating with the second shell chamber. The shell has a long axis, and the end plates are angled relative to the long axis. The tubes are polygonal with rounded corners and straight sides. The heat exchanger can be used for both evaporation and condensation processes.

Sabau, Adrian S.↗

Alert Classification for the ALeRCE Broker System: The Light Curve Classifier

We present the first version of the Automatic Learning for the Rapid Classification of Events (ALeRCE) broker light curve classifier. ALeRCE is currently processing the Zwicky Transient Facility (ZTF) alert stream, in preparation for the Vera C. Rubin Observatory. The ALeRCE light curve classifier uses variability features computed from the ZTF alert stream and colors obtained from AllWISE and ZTF photometry. We apply a balanced random forest algorithm with a two-level scheme where the top level classifies each source as periodic, stochastic, or transient, and the bottom level further resolves each of these hierarchical classes among 15 total classes. This classifier corresponds to the first attempt to classify multiple classes of stochastic variables (including core- and host-dominated active galactic nuclei, blazars, young stellar objects, and cataclysmic variables) in addition to different classes of periodic and transient sources, using real data. We created a labeled set using various public catalogs (such as the Catalina Surveys and Gaia DR2 variable stars catalogs, and the Million Quasars catalog), and we classify all objects with ≥6 g-band or ≥6 r-band detections in ZTF (868,371 sources as of 2020 June 9), providing updated classifications for sources with new alerts every day. For the top level we obtain macro-averaged precision and recall scores of 0.96 and 0.99, respectively, and for the bottom level we obtain macro-averaged precision and recall scores of 0.57 and 0.76, respectively. Updated classifications from the light curve classifier can be found at the ALeRCE Explorer website (http://alerce.online).

47 OTHER INSTRUMENTATION↗

Design and Fabrication of a Temperature-Controlled Fueled Molten Salt Capsule Irradiation Experiment

Idaho National Laboratory (INL) is developing a Molten salt Research Temperature-controlled Irradiation (MRTI) experimental capsule for the Neutron Radiography (NRAD) reactor. The experiment is envisaged to be versatile and able to host a variety of salt-wall material combinations. The first test is designed to contain actinide-bearing chloride salt, which previously has not been subjected to a neutron field. The main objectives of the experiment are to produce irradiated salt samples for Post Irradiation Examination (PIE), to evaluate salt behavior under irradiation, and to test in-situ sensors/instrumentation. The final design for the experiment completed in 2022, and fabrication of the experiment is underway. The salt is double encapsulated providing insulation and redundancy in the case of leakage. A gas-gap between the inner capsule and the outer container enables tuning of thermal conduction to the NRAD coolant by altering its thickness and its gas-mixture. An inert gas mixture ratio in the gas-gap ensures the configurations reached a targeted average salt temperature of 600oC, while avoiding salt freezing or exceeding material limits. A resistive heater placed within a thermowell and controls the temperature of the experiment (both when the reactor is on or off). The selected configurations can contain over 10 cm3 of fuel-bearing chloride salt, which is sufficient for the purposes of the post-irradiation examination (PIE) and provides sufficient volume for two submerged thermocouple probes to monitor salt temperature. The capsule wall material is Inconel 625, and weld qualifications for the assembly have been developed. A glove-box laser weld technique was refined as part of this process to ensure a leak-tight assembly for the salt-bearing assembly and reduce the risks of impurities permeating into the salt. This work was supported through the INL Laboratory Directed Research & Development (LDRD) Program under DOE Idaho Operations Office Contract DE-AC07-05ID14517.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

ENYGF 2023 - Design of Temperature-controlled Fuel-salt Irradiation Experiment

Idaho National Laboratory (INL) is developing a Molten salt Research Temperature-controlled Irradiation (MRTI) experimental capsule for the Neutron Radiography (NRAD) reactor. The experiment is envisaged to be versatile and able to host a variety of salt-wall material combinations. The first test is designed to contain actinide-bearing chloride salt, which previously has not been subjected to a neutron field. The main objectives of the experiment are to produce irradiated salt samples for Post Irradiation Examination (PIE), to evaluate salt behavior under irradiation, and to test in-situ sensors/instrumentation. The final design for the experiment completed in 2022, and fabrication of the experiment is underway. The salt is double encapsulated providing insulation and redundancy in the case of leakage. A gas-gap between the inner capsule and the outer container enables tuning of thermal conduction to the NRAD coolant by altering its thickness and its gas-mixture. An inert gas mixture ratio in the gas-gap ensures the configurations reached a targeted average salt temperature of 600oC, while avoiding salt freezing or exceeding material limits. A resistive heater placed within a thermowell and controls the temperature of the experiment (both when the reactor is on or off). The selected configurations can contain over 10 cm3 of fuel-bearing chloride salt, which is sufficient for the purposes of the post-irradiation examination (PIE) and provides sufficient volume for two submerged thermocouple probes to monitor salt temperature. The capsule wall material is Inconel 625, and weld qualifications for the assembly have been developed. A glove-box laser weld technique was refined as part of this process to ensure a leak-tight assembly for the salt-bearing assembly and reduce the risks of impurities permeating into the salt. This work was supported through the INL Laboratory Directed Research & Development (LDRD) Program under DOE Idaho Operations Office Contract DE-AC07-05ID14517.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nanomorphology of eco-friendly colloidal inks, relating non-fullerene acceptor surface energy to structure formation

Nanoengineered, eco-friendly, solution-processable electroactive materials are in demand for the growing field of printed electronics, and these material requirements can be achieved by the development of waterborne colloidal dispersions. Functionality in these composite materials can be tuned by thermodynamically modifying the material nanomorphology, often by creation of kinetically stabilized aqueous nanoparticle dispersions. In this work we demonstrate that the internal structure of organic nanoparticles is controlled by the surface energy difference between the polymeric donor material and the non-fullerene acceptor (NFA) material. Nanoparticles of the following donor–acceptor combinations, suitable for printed organic photovoltaics, have been synthesized: TQ1:N2200, TQ1:PNDIT10, P3HT:N2200, P3HT:o-IDTBR and P3HT:eh-IDTBR. Advanced synchrotron-based X-ray spectroscopy and microscopy are used to correlate the formation of core–shell nanoparticle morphology to the material surface energy. We subsequently present a viable avenue for customizing the blended nanoparticle structure into (i) core–shell, (ii) molecularly intermixed, or (iii) inverted shell–core structures. Our results showed that TQ1:PNDIT10 and P3HT:o-IDTBR nanoparticles were comprised of a donor-rich shell and an NFA-rich core, however, interestingly we show a reversal to the inverse NFA shell/donor core structure for TQ1:N2200, P3HT:N2200 and P3HT:eh-IDTBR nanoparticles, driven by the low surface energy of N2200 (23.7 mJ m –2 ) and eh-IDTBR (18.3 mJ m –2 ). This article is the first report of a flipped nanoparticle core–shell morphology comprising an NFA-rich shell for the miniemulsion synthesis route. The composition of the shells and cores was able to be controlled by the differential mismatch in the surface energy of the donor and acceptor materials, with ΔG surface > 0, ΔG surface = 0, and ΔG surface < 0 for acceptor core–donor shell, molecularly intermixed, and acceptor shell–donor core, respectively. Accordingly, we introduce an entirely overlooked new figure of merit (FoM) for customizing nanoparticulate colloidal inks: tunable surface energy of non-fullerene-based semiconductors. Finally, the establishment of this FoM opens up electroactive material design to a wide range of functional printing applications with varying device and ink structure requirements, thereby reshaping the nanoengineering toolkit for waterborne colloidal dispersions and hence printed electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Soft Nanoconfinement Nucleates and Stabilizes Ultrasmall Amorphous Calcium Carbonate from Aggregation

Organisms use soft confinement structures, such as vesicles and compartments, to direct the nucleation of calcium carbonate (CaCO 3 ) and its subsequent processes during biomineralization. Despite recent efforts elucidating confinement’s effects on CaCO 3 polymorph selection, we still poorly understand how the size and distribution of CaCO 3 are controlled within soft confinement. Here, using a size-controlled nanoemulsions system made from isooctane, Span 80, Tween 80, and aqueous solutions, we studied CaCO 3 formation in soft confinement. Small angle X-ray scattering (SAXS) confirmed that a 72 nm aqueous core in nanoemulsions served as the confined space for CaCO 3 formation. Unlike the ~ 50 nm CaCO 3 particles that formed in the unconfined solution, small angle neutron scattering (SANS) and transmission electron microscope (TEM) showed that ultrasmall and amorphous calcium carbonate precipitated within soft confinement and did not exhibit any aggregation/coalescence of nanoparticles even after 24 hrs of reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monitoring the compaction of single DNA molecules in Xenopus egg extract in real time

DNA compaction is required for the condensation and resolution of chromosomes during mitosis, but the relative contribution of individual chromatin factors to this process is poorly understood. We developed a physiological, cell-free system using high-speed Xenopus egg extracts and optical tweezers to investigate real-time mitotic chromatin fiber formation and force-induced disassembly on single DNA molecules. Compared to interphase extract, which compacted DNA by ~60%, metaphase extract reduced DNA length by over 90%, reflecting differences in whole-chromosome morphology under these two conditions. Depletion of the core histone chaperone ASF1, which inhibits nucleosome assembly, decreased the final degree of metaphase fiber compaction by 29%, while depletion of linker histone H1 had a greater effect, reducing total compaction by 40%. Compared to controls, both depletions reduced the rate of compaction, led to more short periods of decompaction, and increased the speed of force-induced fiber disassembly. In contrast, depletion of condensin from metaphase extract strongly inhibited fiber assembly, resulting in transient compaction events that were rapidly reversed under high force. Altogether, these findings support a speculative model in which condensin plays the predominant role in mitotic DNA compaction, while core and linker histones act to reduce slippage during loop extrusion and modulate the degree of DNA compaction.

59 BASIC BIOLOGICAL SCIENCES↗

TOI-1235 b: A Keystone Super-Earth for Testing Radius Valley Emergence Models around Early M Dwarfs

Small planets on close-in orbits tend to exhibit envelope mass fractions of either effectively zero or up to a few percent depending on their size and orbital period. Models of thermally driven atmospheric mass loss and of terrestrial planet formation in a gas-poor environment make distinct predictions regarding the location of this rocky/nonrocky transition in period–radius space. Here we present the confirmation of TOI-1235 b (P = 3.44 days, r{sub p}=1.738{sub −0.076}{sup +0.087} R{sub ⊕}), a planet whose size and period are intermediate between the competing model predictions, thus making the system an important test case for emergence models of the rocky/nonrocky transition around early M dwarfs (R {sub s} = 0.630 ± 0.015 R{sub ⊙}, M {sub s} = 0.640 ± 0.016 M{sub ⊙}). We confirm the TESS planet discovery using reconnaissance spectroscopy, ground-based photometry, high-resolution imaging, and a set of 38 precise radial velocities (RVs) from HARPS-N and HIRES. We measure a planet mass of 6.91{sub −0.85}{sup +0.75} M{sub ⊕}, which implies an iron core mass fraction of 20{sub −12}{sup +15}% in the absence of a gaseous envelope. The bulk composition of TOI-1235 b is therefore consistent with being Earth-like, and we constrain an H/He envelope mass fraction to be <0.5% at 90% confidence. Our results are consistent with model predictions from thermally driven atmospheric mass loss but not with gas-poor formation, suggesting that the former class of processes remains efficient at sculpting close-in planets around early M dwarfs. Our RV analysis also reveals a strong periodicity close to the first harmonic of the photometrically determined stellar rotation period that we treat as stellar activity, despite other lines of evidence favoring a planetary origin (P=21.8{sub −0.8}{sup +0.9} days, m{sub p}sin i=13.0{sub −5.3}{sup +3.8} M{sub ⊕}) that cannot be firmly ruled out by our data.

79 ASTRONOMY AND ASTROPHYSICS↗

Leakoff assessment of nanoparticle-stabilized CO 2 foams for fracturing applications

The leakoff of multiphase systems through porous media is a complicated process. In this study, we have designed an experimental setup that is used to assess the leakoff of the liquid and gas phase under pressurized conditions. The novelty of this study is that while most previous studies utilized fluid/gas in the aqueous phase, nanoparticles are introduced in this study, which formed a solid/fluid/gas multiphase system to boost foam performance and reduce leakoff. In the parametric experimental analysis, the effects of foam quality, core permeability, surfactant concentration, and polymer concentration on the dynamic and static leakoff rates of liquid and gas are evaluated. It was found that core permeability affects the leakoff of foam the most with a leakoff coefficient of up to 1.37015 $ft/\sqrt{min}$ for gas and up to 0.1056 $ft/\sqrt{min}$ for liquid under the experiment settings herein. The leakoff rate of gas is generally several magnitudes higher than that of the liquid. When CO 2 gas is present in the foam, the leakoff coefficient falls in the range between 0 and 1.37015 $ft/\sqrt{min}$ for gas, and between 0.0005 and 0.1056 $ft/\sqrt{min}$ for liquid. Finally, the methodology and results of this study shed light on the mechanistic understanding of the leakoff properties of multiphase systems and could be used to assist the design of foam fracturing for reservoir stimulation.

03 NATURAL GAS↗

Fe 3+ /Fe T ratios of amphiboles determined by high spatial resolution single-crystal synchrotron Mössbauer spectroscopy

The Fe 3+ /Fe T ratios (Fe 3+ /[Fe 2+ +Fe 3+ ]) in minerals can be used to understand their crystallization and post-crystallization conditions. However, as natural minerals are often zoned and contain inclusions, bulk techniques, e.g., wet chemistry, may not provide accurate Fe 3+ /Fe T values for a single phase of interest. We determined Fe 3+ /Fe T ratios of amphiboles in different crystallographic orientations by single-crystal synchrotron Mössbauer spectroscopy (SMS) in energy and time domain modes from four volcanic localities (Long Valley Caldera, Mount St. Helens, Lassen Volcanic Center, U.S.A., and Mt. Pinatubo, Philippines). The high spatial resolution (as low as 12 × 12 μm spot size) and standard-free nature of SMS allow the detection of intra-grain compositional heterogeneities in Fe 3+ /Fe T with relatively low uncertainties. Here, we combine SMS with major element compositions, water contents, and hydrogen isotope compositions to document the Fe 3+ /Fe T ratios as a function of mineral composition and post-crystallization dehydrogenation. Spectra were fitted with up to five distinct sites: ferrous iron on M(1), M(2), M(3), and ferric iron on M(2) and M(3), consistent with X-ray diffraction studies on single crystals of amphibole. The Fe 3+ /Fe T ratios range from 0.14 ± 0.03 (Long Valley Caldera), 0.51 to 0.63 ± 0.02 (representing intra-grain heterogeneities, Mount St. Helens) to 0.86 ± 0.03 (Lassen Volcanic Center). The latter grain experienced post-crystallization dehydrogenation, shown by its low water content (0.6 ± 0.05 wt%) and its elevated hydrogen isotope composition (δD = +25 ± 3‰ relative to SMOW). The Fe 3+ /Fe T ratios of 0.62 ± 0.01 and 0.20 ± 0.01 of two Mt. Pinatubo grains correlate with high-Al 2 O 3 cores and low-Al 2 O 3 rims and smaller phenocrysts in the sample, respectively. This study shows that SMS is capable of distinguishing two different domains with dissimilar Fe 3+ /Fe T values formed under different crystallization conditions, demonstrating that SMS in combination with major element, water, and hydrogen isotope compositions allows the interpretation of amphibole Fe 3+ /Fe T ratios in the context of crystallization and post-crystallization processes.

47 OTHER INSTRUMENTATION↗

EvaluateFlux, VARPOW, VARPEAK, and DIF3DtoVTK Utility Programs for DIF3D

The DIF3D-VARIANT solver is part of the DIF3D code which was developed at ANL for engineering level predictive analysis of nuclear reactor cores. Over the course of the last 20 years, the DIF3D-VARIANT option of DIF3D has become increasingly more used because of improvements in computer memory capabilities and performance. This is beneficial to the users of DIF3D as DIF3D-VARIANT is able to apply both p- and h- spatial mesh refinement strategies in diffusion and transport theory. Given its greater use, utility programs were created to assist in post-processing the DIF3D output. This document discusses the basic execution process of DIF3D and the output files it creates but is primarily focused on being the manual for the utility programs EvaluateFlux, VARPOW, VARPEAK, and DIF3DtoVTK.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

thornado+FLASH-X: A Hybrid Discontinuous Galerkin–Implicit-explicit and Finite-volume Framework for Neutrino-radiation Hydrodynamics in Core-collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement–based multiphysics simulation framework FLASH-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $\mathcal{O}(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino–matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino–electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved through a hybrid DG-FV representation of the fluid variables and operator-split evolution within FLASH-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within FLASH-X. thornado’s neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

Endeve, Eirik [Oak Ridge National Laboratory (ORNL↗

Selenocyanate derived Se-incorporation into the nitrogenase Fe protein cluster

The nitrogenase Fe protein mediates ATP-dependent electron transfer to the nitrogenase MoFe protein during nitrogen fixation, in addition to catalyzing MoFe protein-independent substrate (CO 2 ) reduction and facilitating MoFe protein metallocluster biosynthesis. The precise role(s) of the Fe protein Fe 4 S 4 cluster in some of these processes remains ill-defined. Herein, we report crystallographic data demonstrating ATP-dependent chalcogenide exchange at the Fe 4 S 4 cluster of the nitrogenase Fe protein when potassium selenocyanate is used as the selenium source, an unexpected result as the Fe protein cluster is not traditionally perceived as a site of substrate binding within nitrogenase. The observed chalcogenide exchange illustrates that this Fe 4 S 4 cluster is capable of core substitution reactions under certain conditions, adding to the Fe protein’s repertoire of unique properties.

59 BASIC BIOLOGICAL SCIENCES↗

Building a new multiphysics workflow in MOOSE: application to tritium migration, trapping and advection in TMAP8

Fusion devices are anticipated to produce and consume several kilograms of tritium per year. This rare fuel resource is both highly mobile and radioactive, making tracking inventories a priority for operation and safety. The fusion safety program at the Idaho National Laboratory has been developing the Tritium Migration and Analysis Program (TMAP), of which the latest version is a MOOSE-based application. TMAP8 is verified against its predecessors and possesses additional multi-dimensional tritium migration modeling capabilities. As we extend its capabilities towards both whole device (in multiple dimensions) and whole plant (with multiple components) simulations, the syntax of inputs must become compact, descriptive, compatible with quality assurance processes, and as error-proof as achievable. The new Physics system developed MOOSE can set up equations and instantiating them on plant components. The system permits the automatic definition of complex discretization with a consistency between object parameters achieved programmatically. The Physics system can currently instantiate the equations for heat conduction and Navier Stokes weakly compressible flow. In MOOSE-terms, it automates the definition of kernels, boundary conditions, and several core and helper materials and fields. As part of this effort, Physics classes were developed for tritium migration, trapping and advection within either a multi-dimensional Navier Stokes fluid dynamics simulation, or a 1D thermal hydraulics piping system. In this presentation, we will showcase the new syntax, its application to several verification and validation cases which were already studied using the classical TMAP8 syntax, and a demonstration of the new coupling capabilities for the migration of tritium into blanket coolant channels and the subsequent advection into the coolant loop.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗