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At least 649 records · Page 36

Deep Learning for Subsurface Flow: A Comparative Study of U‐Net, Fourier Neural Operators, and Transformers in Underground Hydrogen Storage

Subsurface flow research is essential for the sustainable management of natural resources and the environment. Deep learning (DL) has significantly advanced this field by developing efficient and accurate surrogate models to replace computationally expensive physics‐based simulations. These surrogate models are commonly used to predict the spatiotemporal evolution of state variables, such as gas saturation and reservoir pressure, in heterogeneous geological formations. Despite the various DL models applied to this task, there is a lack of studies systematically comparing their performance. This absence of comparative analysis leads to somewhat arbitrary DL model selection in subsurface flow research, resulting in suboptimal performance and potentially inaccurate predictions. To bridge this gap, we conduct a systematic comparison study of three popular DL architectures—U‐Net, Fourier Neural Operators (FNO), and Segmentation Transformer (SETR)—in surrogate modeling of underground hydrogen storage (UHS). We focus on UHS due to its promise of enhancing clean energy resilience and its cyclic operational conditions that represent common scenarios in various subsurface applications. We evaluate the models based on accuracy, training cost, and inference speed. The comparison shows that U‐Net achieves the highest accuracy, followed by SETR and FNO. Despite its lower accuracy, FNO has the highest inference speed. SETR offers competitive accuracy with the least training memory usage, demonstrating the potential of transformers in learning subsurface flow. Our results provide guidance for selecting DL models for surrogate modeling in a wide range of subsurface flow problems.

42 ENGINEERING↗

Toward fully automated UED operation using two-stage machine learning model

To demonstrate the feasibility of automating UED operation and diagnosing the machine performance in real time, a two-stage machine learning (ML) model based on self-consistent start-to-end simulations has been implemented. This model will not only provide the machine parameters with adequate precision, toward the full automation of the UED instrument, but also make real-time electron beam information available as single-shot nondestructive diagnostics. Furthermore, based on a deep understanding of the root connection between the electron beam properties and the features of Bragg-diffraction patterns, we have applied the hidden symmetry as model constraints, successfully improving the accuracy of energy spread prediction by a factor of five and making the beam divergence prediction two times faster. The capability enabled by the global optimization via ML provides us with better opportunities for discoveries using near-parallel, bright, and ultrafast electron beams for single-shot imaging. It also enables directly visualizing the dynamics of defects and nanostructured materials, which is impossible using present electron-beam technologies.

36 MATERIALS SCIENCE↗

Advanced characterization-informed machine learning framework and quantitative insight to irradiated annular U-10Zr metallic fuels

Abstract U-10Zr Metal fuel is a promising nuclear fuel candidate for next-generation sodium-cooled fast spectrum reactors. Since the Experimental Breeder Reactor-II in the late 1960s, researchers accumulated a considerable amount of experience and knowledge on fuel performance at the engineering scale. However, a mechanistic understanding of fuel microstructure evolution and property degradation during in-reactor irradiation is still missing due to a lack of appropriate tools for rapid fuel microstructure assessment and property prediction based on post irradiation examination. This paper proposed a machine learning enabled workflow, coupled with domain knowledge and large dataset collected from advanced post-irradiation examination microscopies, to provide rapid and quantified assessments of the microstructure in two reactor irradiated prototypical annular metal fuels. Specifically, this paper revealed the distribution of Zr-bearing secondary phases and constitutional redistribution across different radial locations. Additionally, the ratios of seven different microstructures at various locations along the temperature gradient were quantified. Moreover, the distributions of fission gas pores on two types of U-10Zr annular fuels were quantitatively compared.

36 MATERIALS SCIENCE↗

An approach to separating Pu, U, and Ti from high-purity graphite for isotopic analysis by MC-ICP-MS

Information about elemental and isotopic systematics of ultra-trace level actinides (e.g. U and Pu) and main group elements (e.g. Ti) present within nuclear grade graphite is vital to the nuclear community for improved reactor operation and security. In support of this, extensive effort has been placed on improving analysis methods (i.e., inductively coupled plasma-mass spectrometry). However, significantly less effort has been devoted to the optimization of chemical separation methods. Within the separation community, commercially available Eichrom™ resins are often employed, as their elution characteristics for various elements have been well studied, but the direct optimization of actinides and trace metal separations from a single sample have not been widely investigated. Here, methods using various Eichrom pre-packed cartridges were explored to achieve separation of ultra-trace levels of U, Pu, and Ti from a variety of graphite samples. Once the validity of the combined separation scheme was established using certified reference materials, the method was applied to historic, unirradiated and irradiated, graphite samples. For all samples investigated, precise isotope ratio measurements for the titanium isotope systems were made.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Dimerization and ring-opening in bis(diisopropylamino)cyclopropenylidene (BAC) mediated by [U(NR 2 ) 3 (CCPh)] (R = SiMe 3 )

Here the addition of 2 equiv. of bis(diisopropylamino)cyclopropenylidene (BAC) to [U(NR 2 ) 3 (CCPh)] (1, R = SiMe 3 ), in Et 2 O, results in formation of [cyclo-N(iPr)C(Me) 2 CH(NiPr 2 )C{[double bond, length as m-dash]CHC 3 (NiPr 2 ) 2 }][U(NR 2 ) 2 (N(SiMe 3 )SiMe 2 CH 2 )(CCPh)] (2) in moderate isolated yield. Complex 2 is the result of coupling and protonation of two BAC molecules, where complex 1 contributes the required proton. It was characterized by NMR spectroscopy and X-ray crystallography and represents a new mode of reactivity of the cyclopropenylidene fragment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scoping study of detecting high harmonic fast waves in NSTX-U hot core plasma directly using beam emission spectroscopy

In this paper, we used radio frequency (RF) full wave simulation to explore the feasibility of generating a density beat oscillation formed by high harmonic fast waves (HHFWs) in the National Spherical Tokamak Experiment-Upgrade (NSTX-U) and of measuring it numerically with 2D beam emission spectroscopy (BES). This oscillation is of interest as it can be used to determine the injected RF fields. We began by computing HHFW fields in NSTX-U under a variety of experimental conditions and antenna configurations with Petra-M, a 3D RF wavefield solver. These fields were then used to evaluate the amplitude of δne,beat/ne0 in the volume of measurement, which we predict to be between 5 × 10−10 and 10−9, although it is highly dependent on plasma parameters. Trends in magnetic field, core temperature, core density, and antenna phasing are presented, and the parameters most suitable to this measurement are identified. Finally, we developed a synthetic BES diagnostic to compare the experimental BES signal against.

Rutherford, Grant (ORCID:0000000163620037)↗

AC compensation of 3D magnetic diagnostic signals in DIII-D and National Spherical Torus Experiment-Upgrade (NSTX-U) for real-time application

A time domain algorithm has been developed to remove the vacuum pickup generated by both coil current (DC) and induced vessel current (AC) in real time from three dimensional (3D) magnetic diagnostic signals in the National Spherical Torus Experiment-Upgrade (NSTX-U) and DIII-D tokamaks. The possibility of detecting 3D plasma perturbations in real time is essential in modern and future tokamaks to avoid and control MHD instabilities. The presence of vacuum field pickup, due to toroidally asymmetric (3D) coils or to misalignment between sensors and axisymmetric (2D) coils, pollutes the measured plasma 3D field, making the detection of the magnetic field produced by the plasma challenging. Although the DC coupling between coils and sensors can be easily calculated and removed, the AC part is more difficult. Here, an algorithm based on a layered low-pass filter approach for the AC compensation and its application for DIII-D and NSTX-U data is presented, showing that this method reduces the vacuum pickup to the noise level. Comparison of plasma response measurements with and without vacuum compensation shows that accurate mode locking detection and plasma response identification require precise AC and DC compensations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Structural and optical properties of cubic GaN on U-grooved Si (100)

Cubic GaN epitaxy on large-area U-grooved silicon (100) dies is demonstrated by metalorganic chemical vapor deposition, and its structural and optical properties are reported. Scanning electron, atomic force, and transmission electron microscopy studies reveal that cubic GaN shows no discernible threading dislocations and a low stacking fault density of 3.27 ± 0.18 × 10 4 cm –1 . Temperature-dependent photoluminescence studies reveal as-grown cubic GaN band edge emission internal quantum efficiency as 25.6% ± 0.9%. Selective etching of the low-temperature AlN buffer layer, SiO 2 sidewalls, and hexagonal-phase GaN is demonstrated, which increases the cubic GaN band edge emission internal quantum efficiency to 31.6% ± 0.8%. This increase is attributed to the decrease in the radiative recombination lifetime via the removal of defective hexagonal-phase GaN. Altogether, cubic GaN on U-grooved silicon with high structural and optical quality is reported, promising its suitability for next-generation devices.

36 MATERIALS SCIENCE↗

Design of radial interferometer–polarimeter for internal magnetic and density fluctuation measurements at multiple space–time scales in the National Spherical Torus Experiment-Upgrade (NSTX-U)

A Faraday-effect radial interferometer–polarimeter is designed for the National Spherical Torus Experiment-Upgrade (NSTX-U) to measure multiscale magnetic and density fluctuations critical to understanding fusion plasma confinement and stability, including those originating from magnetohydrodynamic instabilities, energetic particle-driven modes, and turbulence. The diagnostic will utilize the three-wave technique with 5 MHz bandwidth to simultaneously measure line-integrated magnetic and density fluctuations up to the ion-cyclotron frequency. Probe beams will be launched radially from the low-field side at the NSTX-U midplane, where the measured Faraday fluctuations mainly correspond to radial magnetic fluctuations that directly link to magnetic transport. A correlation technique will be employed to reduce the measurement noise to below 0.01° enabling detection of small amplitude fluctuations. Two toroidally displaced chords with 7° separation will be installed to measure toroidal mode numbers up to n = 25 for mode identification. Finally, solid-state microwave sources operating at 321 μm (935 GHz) will be used to minimize the impact of the Cotton–Mouton effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonlinear simulations of GAEs in NSTX-U

A set of nonlinear simulations has been performed in order to study the nonlinear evolution of unstable global Alfvén eigenmodes in the National Spherical Torus Experiment-Upgrade (NSTX-U). Results of the single toroidal mode number, n, simulations are compared with a full nonlinear simulation (all toroidal harmonics included). In single-n simulations, the conservation of two integrals of motion of a particle in a cyclotron resonance with a monochromatic wave is demonstrated, resulting in a one-dimensional evolution of the particle distribution in (E,μ,pϕ) phase-space. Nonlinear simulations (both single-n and full nonlinear) show a significant redistribution of the resonant fast ions, especially in the pitch parameter. Thus, the changes in the resonant particle's parallel and perpendicular energies can be several times larger than the total particle energy change, with only a small fraction transferring into the excitation of the mode itself. This implies that even a relatively small amplitude mode can significantly modify the beam distribution in the resonant region. For the NSTX-U case considered, the single-n simulation results are close to full nonlinear simulation only for the most unstable mode, in which case the saturation amplitudes and changes in the fast ion distribution are comparable. In contrast, peak amplitudes of subdominant modes in all-n simulations are smaller by a factor of 3–10 compared to single-n runs due to the flattening of the beam ion distribution by the fastest growing mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Xenon–metal pair formation in UO 2 investigated using DFT + U

A recent experimental study on a spent uranium dioxide (UO 2 ) fuel sample from Belgium Reactor 3 identified a unique pair structure formed by the noble metal phase (NMP) and fission gas [xenon (Xe)] precipitate. However, the fundamental mechanism behind this structure remains unclear. The present study aims to provide an understanding of the interaction between five different metal precipitates [molybdenum (Mo), ruthenium (Ru), palladium (Pd), technetium (Tc), and rhodium (Rh)] and the Xe fission gas atoms in UO 2 , by using density functional theory (DFT) in combination with the Hubbard U correction to compute the formation energies involved. All DFT + U calculations were performed with occupation matrix control to ensure antiferromagnetic ordering of UO 2 . The calculated formation and binding energies of the Xe and solid fission products in the NMP reveal that these metal precipitates form stable pair structures with Xe. Notably, the formation energy of Xe–metal pairs is lower than that of the isolated single defects in all instances, with Pd and Mo showing the most favorable binding energy, likely accounting for the observed pair structure formation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analysis of the impact of parallel magnetic fluctuations on linear gyrokinetic stability in NSTX-U and verification of gyro-fluid models

In this work, we use the CGYRO gyrokinetic code to analyze two L- and one H-mode discharges from the National Spherical Torus Experiment (NSTX) and NSTX-Upgrade (NSTX-U) selected due to their different mix of ion-scale driftwaves, ion temperature gradient (ITG) mode and trapped electron mode (TEM), and electromagnetic instabilities, kinetic ballooning mode (KBM), and micro-tearing mode (MTM) in the plasma core. It is found that the effect of parallel magnetic fluctuations is strongly destabilizing to the unstable KBMs compared to calculations with only perpendicular magnetic fluctuations. Two discharges have a mix of ITG/TEM and MTMs that are predicted to be dominant instability across the plasma radius. The parallel magnetic fluctuations are found to have little effect on the MTM stability but are destabilizing to ITG/TEM modes. To test the validity of the gyro-fluid linear stability codes TGLF and GFS at low aspect ratio, a database of linear growth rates has been created using the CGYRO gyrokinetic code. The database is comprised of various parameter scans around a standardized set of NSTX-U core parameters. It contains a group of electrostatic cases and an electromagnetic group that includes the effects of perpendicular and parallel magnetic fluctuations. Comparing the results from the GFS and TGLF models, we find that GFS exhibits the best agreement with the database of CGYRO linear growth rates. Comparing the model results for the electromagnetic scans shows that GFS captures the effects of parallel magnetic fluctuations accurately, while the TGLF model does not, as it lacks sufficient perpendicular energy resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Alloying of U-Al-SS as a Simulant for Pu-Al-SS Alloying

The Savannah River National Laboratory evaluated several options for disposition of stainless steel (SS)–clad plutonium metal, particularly Pu-10.6 at. % Al (Pu- 1.3 wt% Al) alloy fuel. One technology considered was alloying fuel with SS. The goal of the alloying would be to make a SS-Pu alloy that was a nonproliferable waste form with secondary Pu-rich microencapsulated regions distributed throughout the refractory SS. The microencapsulation of the Pu regions should therefore allow the waste form to meet the requirements for a low attractiveness waste as defined by the U.S. Department of Energy. Plutonium-bearing alloys at these levels could potentially be suitable for disposal at a waste isolation pilot plant. Four metal ingots were successfully fabricated using U and Al as a surrogate for Pu-Al. The U was distributed and microencapsulated by the alloy matrix, thereby setting the stage for subsequent tests using SS-clad fuel elements containing Pu-10.6Al.

36 MATERIALS SCIENCE↗

Design and Analyses of the NSTX-U PF1A Poloidal Field Coil Support

New poloidal field (PF) coils and supports have been designed for the National Spherical Torus Experiment Upgrade (NSTX-U) Recovery project. The PF1A coil structural requirements demand a large preload to pre-compress the coil insulation. Coil support design accounts for all operational conditions and loads of NSTX-U including bakeout, seismic events, and electromagnetic loads. Background magnetic fields produce coil Lorentz forces that react on the structural supports. These Lorentz forces include interactions from the coil current and all plasma events: normal operations, disruptions, and vertical displacement events. This paper will detail the design and design loads and highlight some of the analyses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

New insights into the electronic structure of α-U and δ-Pu

Here, this work presents the results of a theoretical study of the electronic structure of two actinide metals, α -U and δ -Pu. We compare our ab-initio results obtained with the recently developed self-consistent Vertex corrected GW approach with previously published experimental measurements such as photo-electron spectroscopy, for the occupied density of states, and bremsstralung isochromat spectroscopy (BIS) and inverse photo-electron spectroscopy (IPES), for the unoccupied density of states. Our ab-initio approach includes all important relativistic effects (it is based on Dirac’s equation) and it represents the first application of the Vertex corrected GW approach in the physics of actinides. Overall, our theoretical results are in good agreement with the experimental data, which supports the level of approximations which our theoretical method is based upon. By comparing our vertex corrected GW results with our results obtained with less sophisticated approaches (local density approximation and self-consistent GW) we differentiate the strength of correlation effects in Uranium and Plutonium. Also, our theoretical results allow us to elucidate the subtle differences between the previously published experimental BIS and IPES data on the unoccupied density of states in α -U.

36 MATERIALS SCIENCE↗

Modeling of carbon pellets disruption mitigation in an NSTX-U plasma

Single carbon pellet disruption mitigation simulations using M3D-C1 were conducted for an NSTX-U-like plasma to support the electromagnetic pellet injection concept (EPI). A carbon ablation model has been implemented in M3D-C1 and tested with available data. 2D simulations were conducted in order to estimate the amount of carbon needed to quench the plasma, finding that the content in a 1 mm radius vitreous carbon pellet (~3.2x10E20 atoms) would be enough if it is entirely ablated. 3D simulations were performed, scanning over pellet velocity and parallel thermal conductivity, as well as different injection directions and pellet concepts (solid pellets and shell pellets). The sensitivity of the thermal quench and other related quantities to these parameters has been evaluated. A 1 mm radius solid pellet only partially ablates at velocities of 300 m/s or higher, thus being unable to fully quench the plasma. To further enhance the ablation, approximations to an array of pellets and the shell pellet concept were also explored. 3D field line stochastization plays an important role in both quenching the center of the plasma and in heat flux losses, thus lowering the amount of carbon needed to mitigate the plasma when compared to the 2D case. This study constitutes an important step forward in `predict-first' simulations for disruption mitigation in NSTX-U and other devices, such as ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Increased radiation due to non-coronal effects on DIII-D and MAST-U with varying input power

Through SOLPS-ITER simulations of DIII-D and MAST-U, an X-divertor (XD) on DIII-D and a super X-divertor (SXD) on MAST-U were shown to have increased carbon emissivity (P Rad /n e n I ) over corresponding standard divertors (SD) at similar degrees of partial detachment. The reasons behind the increased emissivity in the DIII-D XD and SXD are analyzed using a simple 0D transport model. From the transport model, it is seen that a major cause of the increased emissivity in the XD and SXD over the SDs is a shorter impurity confinement time. An additional cause (for the SXD) is an increase in the ratio of neutral hydrogen to electron density. The input power (P in ) was varied and the XD had a higher emissivity at the higher P in , unlike the SDs which had the emissivity decrease with increasing P in . A basic geometrical reason is given to explain both the benefits of the XD over the SD as well as the increase in the XD's emissivity with P in .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Gyrokinetic simulations of electrostatic microturbulence in ADITYA-U tokamak

Global gyrokinetic simulations of the electrostatic microturbulence driven by the pressure gradients of thermal ions and electrons are carried out for the ADITYA-U tokamak geometry using its experimental plasma profiles and with collisional effects. The dominant instability is trapped electron mode (TEM) based on the linear eigenmode structure and its propagation in the electron diamagnetic direction. Collisional effects suppress turbulence and transport to a certain extent. Zonal flow is not playing a critical role in the TEM saturation, which is dominated by the inverse cascade. The frequency spectrum of the electrostatic fluctuations is in broad agreement with the experimentally recorded spectrum in the ADITYA-U, with a bandwidth ranging from ~0 to 50 kHz.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗