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At least 289 records · Page 16

Directional finite difference method for directly solving 3D gyrokinetic field equations with enhanced accuracy

The gyrokinetic (GK) field equation is a three-dimensional (3D) elliptic equation, but it is often simplified to a set of two-dimensional (2D) equations by assuming that the field does not vary along a specific direction. However, this simplification can introduce inevitable 0th-order numerical errors, as nonlinear mode coupling in toroidal geometry can produce undesirable harmonic modes that violate the assumption. In this work, we propose a novel directional finite difference method (FDM) with a local coordinate transformation to better resolve the target field of interest. The directional FDM can accurately solve 3D GK field equations without simplifications, which can overcome the limitations of conventional methods. The accuracy and efficiency of different FDMs are analyzed in great detail for a variety of geometries, from simple 2D Cartesian coordinates to realistic 3D curvilinear coordinates. The 0th-order numerical errors of simplified 2D GK equations were found to be more problematic for low-harmonic modes and low aspect ratio geometries such as spherical tokamaks. On the other hand, the directional 3D FDM can accurately resolve a much wider range of harmonic modes aligned to the direction of interest, including the low-harmonic modes. In conclusion, we demonstrate that the directional 3D FDM is a highly effective algorithm for solving the 3D GK field equations, achieving accuracy improvements of 10 to 100 times or more, particularly for low-harmonic modes in spherical tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Design optimization of an additively manufactured prototype recuperator for supercritical CO 2 power cycles

Supercritical CO 2 (sCO 2 ) power cycles are being developed due to their potential for high efficiency and reduced capital cost. It is necessary that these recuperators operate at high pressures and temperatures, up to 30 MPa and 900 K, with effectiveness values > 95% and pressure drops <1% to achieve high cycle efficiencies. Moreover, it is also necessary to have reasonable cost recuperators to control the capital costs of the sCO 2 power cycles. In this study, a Plate Pin-Fin (PPF) heat exchanger has been proposed as an sCO 2 recuperator. This preliminary recuperator design leverages capabilities enabled by additive manufacturing. Although the PPF design has characteristics similar to those of a plate heat exchanger, small diameter and relatively long fins are used to increase surface area, enhance heat transfer, and provide structural support for the partition plates that separate the fluid streams. Existing correlations for heat transfer and pressure drop were adapted for the PPF heat exchanger. These correlations were implemented in a 1D analytical model and used for the optimization of a 5-kW th high temperature recuperator for an indirect sCO 2 cycle by varying the design parameters to minimize the quantity of material required. A 3D conjugate heat transfer numerical simulations were conducted to validate the heat transfer and pressure loss correlations. A steepest descent method was used to minimize heat exchanger mass for a 5-kW prototype recuperator subject to a maximum specified pressure drop. Additionally, the design analysis indicated that an optimum PPF recuperator would be attained for the minimum allowable pin transverse spacing, minimum pin width, minimum pin height and near maximum cell aspect ratio. Moreover, at a low material requirement of 0.216 kg/kW and a pressure drop, which is almost five times lower than the allowable pressure drop design target, the optimized PPF heat exchanger has the high potential to be an alternative to a printed circuit heat exchanger, which is a conservative design basis for the current state-of-the-art sCO 2 recuperators.

42 ENGINEERING↗

Strong effect of liquid Fe–S on elastic wave velocity of olivine aggregate: Implication for the low velocity anomaly at the base of the lunar mantle

The origin of the seismic low velocity zone (LVZ) observed at the base of the lunar mantle is important for understanding the nature of the lunar mantle. Liquid Fe–S is considered as a possible candidate of the cause of the LVZ. However, effect of liquid Fe–S on elastic wave velocity of mantle rock has been considered to be minor, according to theoretical estimation based on the high dihedral angle of liquid Fe–S in olivine aggregate observed in previous microstructural analysis of polished sample cross sections. Here, in this work, we carry out direct measurements of elastic wave velocities of liquid Fe–S-bearing olivine aggregate and report strong reduction of the elastic wave velocities in the presence of liquid Fe–S. The effects of liquid Fe–S in olivine aggregates are much more pronounced than the theoretical estimation. Three-dimensional X-ray microtomography analysis reveals that the geometry of liquid Fe–S strongly depends on the size, with larger liquid Fe–S blobs having low aspect ratios, which may predominantly affect elastic wave velocity. Since smaller spherical Fe–S blobs are much more abundant than the larger elongated blobs, conventional dihedral angle analyses based on scanning electron microscope images tend to statistically over-sample smaller blobs and under-sample larger blobs. Our results suggest that the LVZ at the base of the lunar mantle can be explained by the presence of 4.3–5.0 vol.% liquid Fe–S. The LVZ may be a hidden reservoir of highly siderophile elements (HSEs), which may explain the low abundance of HSEs in the lunar mantle compared to the Earth.

58 GEOSCIENCES↗

Disruption modelling for engineering and physics design of ST-E1 fusion power plant

Plasma disruptions represent a critical challenge for high-performance tokamak operations, as they can compromise machine integrity and reduce operational availability. Although future fusion devices essentially need to incorporate strategies to minimise disruption occurrence, complete avoidance remains unattainable. Consequently, assessing and characterising unmitigated disruption consequences is fundamental for the design and qualification of next-generation fusion power plants. This work supports the pre-conceptual design of ST-E1, a low aspect-ratio Tokamak Fusion Power Plant developed by Tokamak Energy Ltd., by presenting a comprehensive disruption modelling approach applied across different design stages. The methodology integrates both physics and engineering considerations to evaluate the impact of disruptions on machine performance and structural integrity. From an engineering perspective, several ST-E1 layout options were analysed to investigate the electromagnetic response of key components under disruption-induced loads, enabling comparison between alternative design solutions. On the physics side, a broad set of disruption scenarios was explored, scanning operational space parameters, plasma-material interactions, and associated thermal loads. Furthermore, the study examined variations in disruption behaviour arising from different reference equilibria, focusing on a range starting from Double Null to Single Null configurations, reflecting the increasing up-down asymmetry consequences. The results reveal significant contrasts in plasma dynamics and structures electromagnetic behaviour between configurations, highlighting the importance of disruption modelling in guiding design choices. These analyses have proven instrumental in shaping ST-E1 development, offering critical insights for mitigating risks and optimising future fusion power plant designs.

Borowiec, Katarzyna [ORNL] (ORCID:0000000335911739↗

Exploring density and strength variations in asteroid 16 Psyche’s composition with 3D hydrocode modeling of its deepest impact structure

Asteroid 16 Psyche is the largest metallic Main Belt Asteroid and is the subject of a forthcoming NASA mission. The composition of Psyche is still unknown and subject of recent debate. In particular, how much porosity is within Psyche, along with how much of Psyche consists of non-metallic versus metallic materials, are central questions to the issue of Psyche’s composition. If Psyche is indeed predominantly composed of metallic materials, it would need to have considerable porosity (~ 30%–50%) for a composition consistent with its expected bulk density (~ 3.7–4.1 g/cm). In this work, we vary the density and strength of Psyche by including uniform and layered fields of pseudo-microporosity, in addition to investigating the presence of macroscopic voids, i.e., spaces larger than the size of the simulation’s mesh cells, in rubble-pile configurations. Further, all configurations result in bulk densities within the uncertainties of measured values, however the strength of Psyche and the distribution of pseudo-pores are varied. Through 3D computational models of Psyche’s deepest impact structure, we show that Psyche’s composition is unlikely to contain only pseudo-microporosity. Rather, rubble pile structures, which include macroscopic voids, are shown to match the crater’s measured aspect ratio better than simulations of structures that included only pseudo-microporosity.

3D↗

Multi-physics modeling of injected nanoparticles effect on remediation of CO 2 leakage through cracks

One potential risk in CO 2 sequestration is the leakage of carbon dioxide, which can result in contamination of underground water, creating potential threats to existing ecosystems. The common leakage pathway is through the pre-existing fractures or discontinuities within cement in the wellbore, incurred by the environmental conditions imposed on the cement. Injecting nanoparticles into pre-existing cracks is one of the most recently proposed ideas for mitigating fracture propagation in cement CO 2 sequestration. To demonstrate the feasibility of this new technology, a numerical approach was taken in this work, as it is challenging to investigate it in a laboratory setting. We proposed a coupled ALE (Arbitrary Lagrangian–Eulerian)–DEM (Discrete Element Method)–peridynamic modeling strategy within the LS-Dyna package to investigate the intertwined interaction among the CO 2 fluid flow, native fluid (e.g., brine), particle clusters, and cracks within the cement. The numerical results demonstrate that injected nanoparticles can effectively reduce the pressure exerted on the crack surface. Accordingly, the potential fracture propagation at the crack tip would be reduced compared to corresponding cases without nanoparticels as pressurized by fluid flow. This result verifies the effectiveness of proposed nanoparticle injection technology. Finally, using this established modeling strategy, the effect of filling particles on the fracture mitigation for different crack geometries (e.g. particle cluster patterns, aspect ratio of crack aperture and length) and CO 2 reservoir pressure are examined. The result shows that injected particles successfully reduce the fracture propagation in these scenarios.

42 ENGINEERING↗

Thermovelocimetric characterization of liquid metal convection in a rotating slender cylinder

Rotating turbulent convection occurs ubiquitously in natural convective systems encompassing planetary cores, oceans and atmospheres, as well as in many industrial applications. While the global heat and mass transfer of water-like rotating Rayleigh–Bénard convection is well-documented, the dynamics in low-Prandtl-number liquid metals remain less understood. In this study, we experimentally investigate rotating Rayleigh-Bénard convection in liquid gallium (Prandtl number Pr ≈ 0.027) within a slender cylinder (diameter-to-height aspect ratio Γ = D/H =1/2) using novel thermovelocimetric diagnostic techniques that integrate simultaneous multi-point thermometry and ultrasonic Doppler velocity measurements. Our results reveal the formation of a stable, global-scale azimuthal wavenumber m = 2 quadrupolar vortex at low supercriticality. We propose that enhanced wall modes facilitated by the slender cylinder geometry interact with the bulk flow to create these large-scale axialized vortices. Furthermore, our findings imply a distinct scaling behavior for the wall-mode precession frequency in liquid metals, extending previous results obtained for moderate-Pr fluids. In conclusion, this provides new insights into wall-bulk coupling mechanisms of low-Pr rotating convective turbulence.

Magnetohydrodynamics↗

GrainGNN: A dynamic graph neural network for predicting 3D grain microstructure

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically performed using multicomponent partial differential equations (PDEs) with moving interfaces. The inherent randomness of the PDE initial conditions (grain seeds) necessitates ensemble simulations to predict microstructure statistics, e.g., grain size, aspect ratio, and crystallographic orientation. Here, currently such ensemble simulations are prohibitively expensive and surrogates are necessary.In GrainGNN, we use a dynamic graph to represent interface motion and topological changes due to grain coarsening. We use a reduced representation of the microstructure using hand-crafted features; we combine pattern finding and altering graph algorithms with two neural networks, a classifier (for topological changes) and a regressor (for interface motion). Both networks have an encoder-decoder architecture; the encoder has a multi-layer transformer long-short-term-memory architecture; the decoder is a single layer perceptron.We evaluate GrainGNN by comparing it to high-fidelity phase field simulations for in-distribution and out-of-distribution grain configurations for solidification under laser power bed fusion conditions. GrainGNN results in 80%–90% pointwise accuracy; and nearly identical distributions of scalar quantities of interest (QoI) between phase field and GrainGNN simulations compared using Kolmogorov-Smirnov test. GrainGNN's inference speedup (PyTorch on single x86 CPU) over a high-fidelity phase field simulation (CUDA on a single NVIDIA A100 GPU) is 150×–2000× for 100-initial grain problem. Further, using GrainGNN, we model the formation of 11,600 grains in 220 seconds on a single CPU core.

36 MATERIALS SCIENCE↗

Assessment of Low-Altitude Atmospheric Turbulence Models for Aircraft Aeroelasticity

We investigate the dynamic aeroelastic response of large but slow aircraft in low-altitude atmospheric turbulence. To this end, three turbulence models of increasing fidelity, namely, the one-dimensional von Kármán model, the two-dimensional Kaimal model and full three-dimensional wind fields extracted from large-eddy simulations (LES) are used to simulate ambient turbulence near the ground. Load calculations and flight trajectory predictions are conducted for a representative high-aspect-ratio wing aircraft, using a fully coupled nonlinear flight dynamics/aeroelastic model, when it operates in background atmospheric turbulence generated by the aforementioned models. Comparison of load envelopes and spectral content, on vehicles of varying flexibility, shows strong dependency between the selected turbulence model and aircraft aeroelastic response (e.g. 58% difference in the predicted magnitude of the wing root bending moment between LES and von Kármán models). This is mainly due to the presence of large flow structures at low altitudes that have comparable dimensions to the vehicle, and which despite the relatively small wind speeds within the Earth boundary layer, result in overall high load events for slow-moving vehicles. Results show that one-dimensional models that do not capture those effects provide fairly non-conservative load estimates and are unsuitable for very flexible airframe design.

atmospheric turbulence↗

Manufacturing Process Design of a Micro-Scale Liquid-Liquid Extractor and Multi-phase Separator

Advances in process innovation within the chemical process industry are impeded by the cost of producing new innovative components. In this paper, various manufacturing process routes were evaluated for scaling up a micro-scale liquid-liquid extractor and multi-phase separator capable of separating immiscible phases that are used for the extraction of a chemical product into a lower boiling point solvent to make downstream distillation easier. A manufacturing process design methodology was used to evaluate both photochemical machining and binder jetting as a means for producing the micropost arrays within the separator. Cost curves show that for a 0.3 mm deep micropost array, photochemical machining was found to be much cheaper than binder jetting. However, because binder jetting processes enable microposts with over 13 times higher depth-to-width aspect ratios, binder jetting was found to decrease the overall costs of the extractor/separator by more than half for a 500 barrel per day plant, with breakeven as low as 15 barrels per day. These economics were confirmed by building extractor/separator plates and characterizing them dimensionally and functionally. The binder jet plates were found to perform better than photochemical plates leading to the complete separation of the organic phase from water. The utilization of slower sintering cycles combined with surface grinding provided acceptable dimensional tolerances for the binder jet plates. Using pressurized air during depowdering improved the economics for the binder jetting process.

42 ENGINEERING↗

Microstructure-refinement–driven enhanced tensile properties of high-pressure die-cast A380 alloy through friction stir processing

This work employs friction stir processing (FSP), a well-known severe plastic deformation technique, to selectively modify the microstructure of thin-walled, high-pressure die-cast (HPDC) aluminum alloy A380, a major HPDC alloy fabricated in the die casting sector. FSP effectively breaks down Al dendrites and acicular Si particles, creating a homogenized distribution of equiaxed Si particles in the aluminum matrix. After FSP, the refined Si particles (~1.5 µm) are smaller than the eutectic Si particles (3–8 µm) in HPDC condition. In addition, interparticle distance has decreased almost 50% compared to dendritic arm spacing, and FSP has reduced the aspect ratio of Si particles to ~2. Furthermore, FSP eliminates porosity, and breaks down needle-like second-phase Fe-Mn and Cu-rich particles, yielding a refined, homogeneous distribution. The FSP-induced microstructural refinement and porosity reduction improve bulk yield strength and ductility by 23% and 66%. Tensile properties are enhanced beyond those of the die skin of the HPDC plate, and the alloy possesses lower defect density and a highly refined microstructure. This study establishes the viability of FSP as a tool for microstructure modification and mechanical property improvement for HPDC Al alloys for the light-weighting goal of the automotive industries.

36 MATERIALS SCIENCE↗

Impact of lead on an axisymmetric, single bead blown powder DED overhung geometry

Metal additive manufacturing can be utilized for the near net-shape manufacture of components in a layer wise technique. Traditionally, the buildup process is conducted in the direction of gravity or bottom to top in the vertical orientation; however, with the availability of commercial systems with additive heads or fixturing that can index from vertical, and the need to manufacture larger parts without modifying available systems, the limitation of manufacturing from bottom to top is removed enabling the buildup of larger components printed at an angle from vertical. The effect of gravity on the melt pool and as-deposited component quality when printing off vertical is unknown in literature, especially for axisymmetric components. This understanding is critical for the advancement of manufacturing components of increased size in 4 and 5-axis additive systems. This investigation utilizes blown powder directed energy deposition to evaluate the change in as-printed geometry when the start point is altered in relation to gravity while the part rotates to manufacture an axisymmetric component. The objectives of this work are to determine the impact of the deposition location on the geometric variability on axisymmetric components. This investigation tests the hypothesis that differences in layer height exist due to a change in catchment efficiency when the deposition location is moved to a tangent of the round geometry due to a change in the melt pool dynamics. It was found the ideal deposition location when printing at 26.6-degrees from vertical was at −90-degrees from the top center point of the component, along the tangent, where gravity was pushing the melt pool down, but the rotation of the part was pulling the deposited material towards the top center of the component. This work provides an understanding of layer height stability and catchment efficiency to guide print orientation strategy for high-aspect ratio components. It was found the −90-degree lead deposition had the best layer height stability at 0.6 % as compared to the top-center at 6.3 % and +90-degree deposition location at 9.2 % for the nominal programmed layer height. The change in layer height also effected the final diameter the greatest for the top center deposition location where the diameter diverged by 2.5 % during the overbuild condition and converged by 0.6 %. In conclusion, this finding will increase the manufacturing efficiency of axisymmetric components by increasing the passive stability of the printing process for the successful manufacture of parts without the need for perfectly calibrated manufacturing parameters.

36 MATERIALS SCIENCE↗

Diamond rotors

The resolution of magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra remains bounded by the spinning frequency, which is limited by the material strength of MAS rotors. Since diamond is capable of withstanding 1.5–2.5x greater MAS frequencies, compared to state-of-the art zirconia, we fabricated rotors from single crystal diamond. When combined with bearings optimized for spinning with helium gas, diamond rotors could achieve the highest MAS frequencies to date. Furthermore, the excellent microwave transmission properties and thermal conductivity of diamond could improve sensitivity enhancements in dynamic nuclear polarization (DNP) experiments. The fabrication protocol we report involves novel laser micromachining and produced rotors that presently spin at ω r = 111.000 ± 0.004 kHz, with stable spinning up to 124 kHz, using N 2 gas as the driving fluid. Here, we present the first proton-detected 13 C/ 15 N MAS spectra recorded using diamond rotors, a critical step towards studying currently inaccessible ex-vivo protein samples with MAS NMR. Previously, the high aspect ratio of MAS rotors (~10:1) precluded fabrication of MAS rotors from diamond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microstructural characterization of as-fabricated monolithic plates with boron carbide, aluminum boride, and zirconium boride burnable absorbers

The use of burnable absorbers can be beneficial for nuclear reactors by extending the fuel’s operational cycle, providing additional criticality control, and flattening the power profile. In this work, three burnable absorber materials (boron carbide, aluminum boride, and zirconium boride) embedded in aluminum have been fabricated into foils and clad in AA-6061 for potential use in high performance research reactors. The as-fabricated boron-containing phases were determined using transmission electron microscopy to be AlB2, B4C, and ZrB2. TEM also revealed weak bonding at the B4C-matrix interface. SEM showed a relatively uniform spatial distribution of boron-containing phases for all the candidate materials. Higher porosity was observed in the foil containing ZrB2 in its as-rolled condition. The porosity in the ZrB2 foil was reduced by hot isostatic pressing. The size and shape distributions of the boron-containing phases were analyzed on the criteria of cross-sectional area, perimeter, roundness, circularity, and aspect ratio. A method of converting the 2D burnable absorber dispersoids seen in cross-sectional microscopy images into 3D volumes was derived using both spherical and ellipsoidal geometry models. The difference in calculated burnable absorber dispersoid average volume between the two models ranges from 20% to 100%, which could impact burnable absorber burnout rates due to differences in neutron self-shielding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantitative Morphological Characterization of Carbide Inclusions in Uranium Metal

Uranium carbides (UCs) are prevalent inclusions in U metal that form during melting operations from interactions with crucible walls and the casting chamber atmosphere. Although UCs have been studied extensively since the beginning of U metal foundry operations, there are still unknowns regarding the effects of thermomechanical processing on their sizes and morphology. Here, we present the results of a series of controlled cooling experiments with molten uranium to elucidate the effect of cooling rate on inclusion morphology in a-U. Samples were melted using a vacuum induction melter and manually cooled at rates of 2.5, 1.7, 1.1, 0.8, 0.3 (± 1%) K/s from ~1600 K to <700 K in under 1 hour. Subsequent scanning electron microscopy (SEM) was performed on cross-sections of the samples, revealing a complex mixture of UC morphologies that are indicative of diffusion and growth influenced by the thermal processing of the U matrix. Image analysis using the Morphological Analysis of Materials (MAMA) software showed that UC sizes generally grew larger with slower cooling rates, and the two slowest cooling rates noticeably impacted the inclusion circularity and ellipse aspect ratio. These results indicate that UC morphology is sensitive to short cooling rates (<1 hour) and could therefore be controlled in the production of metallic nuclear fuels. Additionally, inclusion speciation and morphologies could potentially provide forensic clues about processing history of unknown metal samples. Understanding the driving forces involved in UC morphology evolution is beneficial for evaluating metal fuels for next generation nuclear reactors and for identifying signatures for nuclear forensics.

Athon, Matthew T.↗

Molecular dynamics studies of grain boundary mobility and anisotropy in BCC γ-uranium

Grain morphologies such as grain size and aspect ratio in uranium-based metallic fuels are important microstructural features that can impact various fuel performance properties such as fission-gas-induced swelling, thermal transport, high burnup structure formation, and radiation resistance. Accurate prediction of the fuel grain morphologies requires knowledge of critical grain growth parameters such as grain boundary (GB) mobility and anisotropy. In this work, molecular dynamics simulations were performed to study the GB mobility and its anisotropy in pure body-centered-cubic (BCC) γ uranium. Nine GBs with different combinations of misorientation angles (20°, 30°, 45°) and rotation axes (<100>, <110>, <111>), as well as an additional <111> 38.2° GB were studied using three interatomic potentials. Here, it is found that the GB mobility anisotropy has complex trends, depending on both rotation axis and misorientation. However, in general the <110> rotation axis has the fastest GB mobility at the same misorientation. The results of this work can be used as not only baselines for future studies of GB mobility in uranium-based alloys such as uranium-molybdenum (U-Mo) fuels, but also input for mesoscale modeling of grain growth in uranium-based alloys.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nanostructured ligament and fiber Al–doped Li 7 La 3 Zr 2 O 12 scaffolds to mediate cathode-electrolyte interface chemistry

In this study, scaffold structures of electrospun aluminum–substituted lithium lanthanum zirconate Li 7 La 3 Zr 2 O 12 (Al-LLZO) were synthesized and used as an additive in a LiNi 0.6 Mn 0.2 Co 0.2 O 2 composite cathode. The scaffolds were crystalized in the cubic phase after calcination at 700 °C. The Al-LLZO scaffold morphology was dependent on the precursor formulation (aqueous and dimethylformamide. The aqueous precursors resulted in scaffolds of densely coalesced ligaments, whereas the dimethylformamide precursors resulted in high–aspect ratio nanofiber scaffolds. The long-term cycling stability and rate performance of the cells were found to depend on the Al-LLZO scaffold morphology. The uniformly dispersed Al-LLZO fibers resulted in a more stable cathode electrolyte interface formation through the reduced decomposition of the LiPF 6 salt during cycling, resulting in a better high-rate and long-term cycling performance.

25 ENERGY STORAGE↗