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DOE OSTI2025

Simulation study of high-current 7 Li 3+ beam acceleration with laser ion source and RFQ linac using direct plasma injection

Accelerator-based neutron sources (ABNS) utilizing the 7 Li(p,n) 7 Be reaction in inverse kinematics offer strong forward-directed neutron emission, making them attractive for compact and clean neutron source with low background neutrons and unwanted radiation. However, practical use of such systems requires lithium ion beam currents that exceed the capability of conventional ion accelerators by two orders of magnitude. In this study, we numerically designed and evaluated a high-current acceleration system based on a direct plasma injection scheme (DPIS), combining a laser ion source (LIS) and a radio-frequency quadrupole (RFQ) linac. The ion extraction optics and RFQ entrance were optimized using IGUN, OPERA, and GPT, demonstrating that over 1.2 A-class beam current can be injected into the RFQ. The RFQ structure was designed under realistic engineering constraints including surface field strength (Kilpatrick factor) and RF power. GPT simulations showed that a 370 mA 7 Li 3+ beam can be successfully accelerated within a ±10 % energy spread. To validate downstream compatibility, we also designed a simplified medium-energy beam transport (MEBT) section and an interdigital H-type (IH) linac, confirming successful acceleration of a 320 mA beam to the total energy of 14 MeV. These results support the feasibility of the DPIS and RFQ approach as a promising solution for compact neutron sources and other high-intensity ion beam applications.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Numerical Method Improvements in Griffin for Pebble Bed Reactors with a Focus on the Computation of Burnup

Griffin, a MOOSE (Multiphysics Object-Oriented Simulation Environment) based application targeting transient multiphysics modeling of advanced reactors, has been used recently to model both high-temperature gas-cooled and fluoride-salt-cooled pebble bed reactors (PBRs). Griffin uses deterministic methods for solving neutron transport and an Eulerian approach to model pebble movement. An Eulerian approach is also used to directly compute burnup instead of using a pass approach like other tools such as VSOP or PANGU. This work discusses verification efforts and numerical method improvements related specifically to the Eulerian modeling approach implemented for directly computing pebble burnup.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Influence of Pore Water on the Fracture of Silica Sand at Particle Scale

The fracture of particles has a significant influence on the engineering behavior of granular materials. There are no reported conclusive answers in the literature to explain the influence of pore water on the fracture of sand, gravel, railroad ballast rock, aggregates, rockfill, and so on. Here, in this paper, two novel techniques were adopted to investigate the influence of pore water on the fracture of natural silica sand at the particle scale. The three-dimensional (3D) synchrotron microcomputed tomography (SMT) imaging technique was used to acquire and analyze multiple 3D images of specimens composed of wetted silica sand that were subjected to confined one-dimensional (1D) compression loading up to the fracture stage. A few representative particles were identified and digitally separated from the liquid water and gas phases. The 3D SMT images offer clear experimental evidence of the phase transition of water from liquid to gas within the opening cracks. In addition, a computational fluid dynamics numerical simulation framework for water flow into an opening crack was adopted and the results show that the fast opening of the crack induced cavitation, water phase transition, and water hammer effects. The results of the numerical simulations agree with the confined 1D compression experiments where the onset of the bubbles (gas phase) within the crack is mainly generated during the secondary cavitation stage, and the generated bubble near the crack mouth opening resulted from the primary cavitation, which was directly caused by the crack expansion. The results reported in this paper present a new cavitation phenomenon that occurs during particle fracture, which offers a physics-based explanation of why water-wetted sand fractures at smaller stresses than dry and can pave the way for more in-depth future studies on the fracture of water-wetted sand.

cavitation↗

DOE OSTI2020

Tropical Indian Ocean Mediates ENSO Influence Over Central Southwest Asia During the Wet Season

El Niño–Southern Oscillation (ENSO) modulates wet season (November–April) precipitation over Central Southwest Asia (CSWA), however, intraseasonal characteristics of its influence are largely unknown, which can be important for its subseasonal to seasonal hydroclimate predictability. Here we show that the ENSO-CSWA teleconnection varies intraseasonally and is a combination of direct and indirect positive influences. The direct influence is through a Rossby wave-like pattern in the tail months. The indirect influence is through an atmospheric dipole of diabatic heating anomalies in the tropical Indian Ocean (TIO) as a result of ENSO-forced response, which also generates a Rossby wave-like forcing and persists throughout the wet season. ENSO exerts its strongest influence when both direct and indirect modes are in phase, while the relationship breaks down when the two modes are out of phase. The atmospheric teleconnection through the atmospheric diabatic heating anomalies in the TIO is reproducible in numerical simulations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Explicit simulation of the Brownian rotation of arbitrary shaped aerosol particles using quaternions

The shape of an aerosol particle strongly influences its mass and momentum transfer cross-sections, charging properties, and other physical properties. Here, we present an explicit time-stepping procedure to simulate the rotational Brownian motion of arbitrary shaped aerosol particles by solving Euler’s equation of rotation. A Langevin formulation of the rotation equations is used, wherein Brownian motion due to thermal collisions between a particle and background gas molecules is represented using a stochastic fluctuating torque and fluid resistance is included as a drag torque. To avoid singularities associated with describing the orientation of a shape with Euler angles, we employ a quaternion formulation that leads to first-order stochastic differential equations to describe the evolution of the angular position and angular velocity of a rigid body. We perform all the rotational dynamics calculations in the body-fixed frame of reference attached to the rotating shape whose basis vectors are the normalized eigenvectors of the inertia tensor of the particle. Numerical solutions to rotation under torque-free conditions, damped rotation without Brownian motion, and stochastic rotation for arbitrary shapes are presented and discussed. The presented method enables time-resolved simulation of Brownian rotation for direct comparison with experimentally measured trajectories or statistical measures. The second order accuracy of the used time-stepping procedure places a severe restriction on the timestep that can be used for obtaining accurate results. Animations of presented simulations are included for visualizing rotational motion at various gas pressures. To aid implementation, MATLAB ® codes are also provided. Extension to include translation Brownian motion is straightforward.

Roy, Mrittika↗

DOE OSTI2021

Numerical assessment of the new V-shape small-angle slot divertor on DIII-D

The small-angle slot (SAS) divertor of the DIII-D tokamak, and its upcoming upgrade, the V-shape small-angle slot (SAS-V) divertor, are numerically investigated using the SOLPS-ITER code package, including the effect of particle drifts, for a range of plasma density, heating power, strike point position in the slot, and for both magnetic field directions. The simulations show that the electron temperature near the strike point is reduced in SAS-V compared to SAS, for both magnetic field directions, such that SAS-V achieves divertor detachment at a lower value of the outboard mid-plane separatrix electron density. The detachment threshold is lower because the V-shape focuses recycling neutrals on the V-end, densifying and cooling the plasma in the slot. At sufficiently high density, the V-shape also reduces the radial gradient of the temperature profile at the target, which in turns reduces the radial electric field and the E x B drift velocities, further densifying and cooling the plasma in the slot and leading to detachment. The V-shape effect, however, is reduced for higher heating power. With more heating power, the detachment density increases, reducing the ionization mean free path of recycled neutrals, which therefore become less sensitive to target shape changes. Furthermore, this suggests that in a fusion reactor, where the heating power is high, optimization of the divertor target shape needs to be combined with other strategies to lower the detachment density, such as in-slot injection of low-Z impurities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Stable Symmetry-Protected Topological Phases in Systems with Heralded Noise

Here, we present a family of local quantum channels whose steady-states exhibit stable mixed-state symmetry-protected topological (SPT) order. Motivated by recent experimental progress on "erasure conversion" techniques that allow one to identify ($\textit{herald}$) decoherence processes, we consider open systems with biased erasure noise, which leads to strongly symmetric heralded errors. We utilize this heralding to construct a local correction protocol that effectively confines errors into short-ranged pairs in the steady-state. Using a combination of numerical simulations and mean-field analysis, we show that our protocol stabilizes SPT order against a sufficiently low rate of decoherence. As the rate of heralded noise increases, SPT order is eventually lost through a directed percolation transition. We further find that while introducing unheralded errors destroys SPT order in the limit of long length- and time-scales, the correction protocol is sufficient for ensuring that local SPT order persists, with a correlation length that diverges as $\xi \sim (1-f_e)^{-1/2}$, where $f_e$ is the fraction of errors that are heralded.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Physics of the Aurora: Laboratory Measurements of Electron Acceleration by Inertial Alfven Waves (Final Technical Report)

The physics of the aurora is one of the foremost unsolved problems of space physics. The mechanisms responsible for accelerating electrons that precipitate onto the ionosphere are not fully understood. For more than three decades, particle interactions with Alfven waves have been proposed as a possible means for accelerating electrons and generating auroras. Due to the limitations of spacecraft conjunction studies and other multi-spacecraft approaches, it is unlikely that it will ever be possible, through spacecraft observations alone, to confirm definitively the proposed electron acceleration mechanism by making simultaneous measurements of both the accelerated electrons and the inertial Alfven wave responsible for the acceleration. Here, we show laboratory measurements of the resonant transfer of energy from Alfven waves to electrons under conditions relevant to the auroral zone. Experiments are performed by launching Alfven waves and simultaneously recording the electron velocity distribution. Numerical simulations and analytical theory support that the measured energy transfer process produces accelerated electrons capable of reaching auroral energies. The experiments, theory, and simulations demonstrate a clear causal relationship between Alfven waves and accelerated electrons that directly cause auroras.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Two-point Correlation Function Studies for the Milky Way: Discovery of Spatial Clustering from Disk Excitations and Substructure

We introduce a two-particle correlation function (2PCF) for the Milky Way, constructed to probe spatial correlations in the orthogonal directions of the stellar disk in the Galactic cylindrical coordinates of R, ϕ, and z. We use this new tool to probe the structure and dynamics of the Galaxy using the carefully selected set of solar neighborhood stars (d ≲ 3 kpc) from Gaia Data Release 2 that we previously employed for studies of axial symmetry breaking in stellar number counts. We make additional, extensive tests, comparing to reference numerical simulations, to ensure our control over possibly confounding systematic effects. Supposing either axial or north–south symmetry, we divide this data set into two nominally symmetric sectors and construct the 2PCF, in the manner of the Landy–Szalay estimator, from the Gaia data. In so doing, working well away from the midplane region in which the spiral arms appear, we have discovered distinct symmetry-breaking patterns in the 2PCF in its orthogonal directions, thus establishing the existence of correlations in stellar number counts alone at subkiloparsec length scales for the very first time. In particular, we observe extensive wavelike structures of amplitude greatly in excess of what we would estimate if the system were in a steady state. We study the variations in these patterns across the Galactic disk, and with increasing ∣z∣, and we show how our results complement other observations of non-steady-state effects near the Sun, such as vertical asymmetries in stellar number counts and the Gaia snail.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

A New Model for Simulating the Imbibition of a Wetting-Phase Fluid in a Matrix-Fracture Dual Connectivity System

The imbibition experiment is an effective approach for measuring petrophysical properties of porous media, with many such experiments performed over the past decade. Quite some empirical, analytical, and numerical models have been developed to simulate spontaneous imbibition of the wetting phase fluid into porous media, but limitations still exist. In previous studies, the imbibition process has been considered to give a piston-like displacement or the porous medium modeled as multiply-sized pores linked with bonds; both approaches fail to yield comprehensive results due to their neglect of the presence of irregular fractures or nonuniform flow paths through the matrix. By building a numerical model for simulating laboratory-scale experimental data, we performed imbibition tests on several fractured Barnett Shale samples having fractures either parallel ( P ) or transverse ( T ) to the bedding plane and used MATLAB to build a new numerical model by combining the imbibition process in fractures and the matrix using concepts from percolation theory. The experimental data show that the rocks with P -direction fractures have a more steady increase of imbibition rates than the case of T -direction one. As the shale matrix with low pore connectivity hampers the upward water movement, the imbibition rate of shales with T -direction fractures will decrease suddenly after the bottom layer in contact with water is saturated during the initial period. This wetting phase movement (WPM) model can simulate 3D porous media with 2D fractures. The rate of imbibition by fractured porous media is associated with physical parameters such as porosity and fracture distribution (e.g., the number and angle of fractures). Using Monte Carlo methods, we examined fracture parameters and predicted elapsed time and cumulative water imbibition, for the Barnett Shale samples. The results show that the rate of imbibed water mass is sensitive to the number of fractures directly connected to water source, and the connectivity between two neighboring grid cells is a key parameter for the wetting-front progression. The findings of this study can help to better understand the imbibition process with multiple influencing processes and factors in fractured-matrix rocks. Although the experiments, data simulation, and prediction results are based only on Barnett Shale samples, the model is readily applicable to imbibition tests of other fractured rocks to show the spatial and temporal behavior during a dynamic imbibition process that are not easily captured experimentally.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Data-Efficient Dimensionality Reduction and Surrogate Modeling of High-Dimensional Stress Fields

Tensor datatypes representing field variables like stress, displacement, velocity, etc., have increasingly become a common occurrence in data-driven modeling and analysis of simulations. Numerous methods [such as convolutional neural networks (CNNs)] exist to address the meta-modeling of field data from simulations. As the complexity of the simulation increases, so does the cost of acquisition, leading to limited data scenarios. Modeling of tensor datatypes under limited data scenarios remains a hindrance for engineering applications. Here, in this article, we introduce a direct image-to-image modeling framework of convolutional autoencoders enhanced by information bottleneck loss function to tackle the tensor data types with limited data. The information bottleneck method penalizes the nuisance information in the latent space while maximizing relevant information making it robust for limited data scenarios. The entire neural network framework is further combined with robust hyperparameter optimization. We perform numerical studies to compare the predictive performance of the proposed method with a dimensionality reduction-based surrogate modeling framework on a representative linear elastic ellipsoidal void problem with uniaxial loading. The data structure focuses on the low-data regime (fewer than 100 data points) and includes the parameterized geometry of the ellipsoidal void as the input and the predicted stress field as the output. The results of the numerical studies show that the information bottleneck approach yields improved overall accuracy and more precise prediction of the extremes of the stress field. Additionally, an in-depth analysis is carried out to elucidate the information compression behavior of the proposed framework.

artificial intelligence↗

DOE OSTI2023

Nonlinear multi-magnon scattering in artificial spin ice

Abstract Magnons, the quantum-mechanical fundamental excitations of magnetic solids, are bosons whose number does not need to be conserved in scattering processes. Microwave-induced parametric magnon processes, often called Suhl instabilities, have been believed to occur in magnetic thin films only, where quasi-continuous magnon bands exist. Here, we reveal the existence of such nonlinear magnon-magnon scattering processes and their coherence in ensembles of magnetic nanostructures known as artificial spin ice. We find that these systems exhibit effective scattering processes akin to those observed in continuous magnetic thin films. We utilize a combined microwave and microfocused Brillouin light scattering measurement approach to investigate the evolution of their modes. Scattering events occur between resonance frequencies that are determined by each nanomagnet’s mode volume and profile. Comparison with numerical simulations reveals that frequency doubling is enabled by exciting a subset of nanomagnets that, in turn, act as nanosized antennas, an effect that is akin to scattering in continuous films. Moreover, our results suggest that tunable directional scattering is possible in these structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Amplified spontaneous emission in the extreme ultraviolet by expanding xenon clusters

Focused short-wavelength free-electron laser (FEL) pulses interacting with gas phase samples can induce by inner-shell ionization a short-lived population inversion, followed by coherent collective emission of directed, short, and strong radiation bursts. We extend our studies into the warm-dense matter (WDM) regime by investigating the nanoplasmas produced in an ensemble of nanometer-sized clusters by FEL irradiation. Here, additional pathways can also lead to strong, laserlike emission: Electron-ion collisions can yield a long-lived population inversion, and subsequent amplified spontaneous emission. We observe amplified spontaneous emission (ASE) in the extreme ultraviolet in xenon clusters excited by soft x-ray FEL pulses, we diagnose the generated nanoplasmas by fluorescence spectroscopy, and we study under various cluster and FEL parameters the directed ASE from the Xe 2+ 65 nm line. We show its exponential increase as a function of FEL irradiation power, and an accompanying collisional broadening of the emission spectra. These findings are corroborated by extensive numerical simulations based on theory, combining detailed hydrodynamic and kinetic simulations with time-dependent calculations of radiation transport, amplification, and collective emission in the WDM nanoplasma. Furthermore, our theoretical findings underline that population inversion is due to electron-ion collisions and that the observed decoherence processes can be empirically characterized by a phenomenological decoherence time in the range of 100–200 fs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

An Overview of the Waste-to-Energy System Simulation (WESyS) Model

The leveraging of waste streams for energy and chemical production could add revenue to waste disposal operations, and it presents opportunities for addressing a variety of economic and environmental objectives at the local, state, and national levels. The Waste-to-Energy System Simulation (WESyS) model is a system dynamics model that was created to simulate the development of the U.S. waste-to-energy industry over time. For each of the three primary waste resources modeled (landfills, concentrated animal feeding operations, and publicly owned treatment works), WESyS simulates technically feasible scenarios for use of the waste, including direct conversion to fuels, and anaerobic digestion followed by flaring, electricity generation, combined heat and power, cleanup and compression to compressed natural gas, and cleanup and injection into an existing pipeline. The model allows users to explore numerous plausible future scenarios for the development of the U.S. waste-to-energy industry. This report provides an overview of the WESyS model and documents the key assumptions, equations, and data sources used to create the model.

09 BIOMASS FUELS↗

DOE OSTI2023

Virtual prototyping of liquid metal blanket performance in fusion pilot plant

Liquid metal blanket is a dominant design option for the next step fusion devices responsible for harvesting energy from fusion reaction, and simultaneously producing fuel for the same reaction through tritium breeding. Liquid metal blankets introduce additional complexity to the design due to fluid motion, fluid structure interaction, and magnetohydrodynamic (MHD) effects arising from the motion of the conducting fluid through the magnetic field. They are also directly affected by the plasma heat flux and neutronic fluence. PPPL is currently developing a virtual prototyping system for numerical analysis of the liquid metal blankets for future fusion devices. The system has a customized 3D computational fluid dynamics (CFD) code in its core, allowing MHD flow and conjugate heat transfer analysis in blankets fluids and solids. The code was successfully used before for dual coolant blanket analysis [A. Khodak et al., Fusion Eng. and Des. 137 (2018)]. Recently the same code was modified to allow verified simulation of MHD flows at high Hartmann numbers of several thousand typical for blanket applications. CFD code receives volumetric heat source distribution from the neutronic analysis based on MCNP code. In addition, direct tritium breeding simulation will be performed allowing optimization of the blanket performance. 2D axisymmetric version of neutronics code will be used for rapid optimization, with 3D version employed for detailed analysis. The surface heat distribution on the plasma facing wall will be defined by the software HEAT allowing 3D modeling of the heat flux based on the magnetic field distribution including gyro-orbit effects. Results of thermal analysis are imported into structural analysis code also included in the system. Finally, direct import of CAD geometry will be used for analyzing all components and as a result design option can be efficiently optimized.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Observations and seismoacoustic simulations of earthquake-generated infrasound waves in non-epicentral regions

We analysed infrasound waves associated with the Gyeongju earthquake (ML 5.8) that occurred on 2016 September 12, in the southeastern Korean Peninsula. For infrasound wave detection, the Progressive Multichannel Correlation method was applied to the infrasound data set recorded at seven arrays operating in South Korea at epicentral distances ranging from 178 to 472 km. Based on the back-projection method constrained by array-dependent celerity and azimuth deviation models, the source regions were identified in both the epicentral and non-epicentral regions. Remarkably, the non-epicentral secondary sources of this earthquake were located in regions with shallow water depths: (i) the western coastal area in the Yellow Sea and (ii) the shallow ocean basin and bank in the East Sea. The location results obtained from the earthquake could be corroborated through its foreshock (ML 5.1), yielding location results consistent with those of the main shock. The generation of infrasound waves over shallow water depths was fortuitously validated by direct recordings of dominant single-frequency (~0.3 Hz) infrasound waves at close range via temporary sensors near the ocean basin and bank. We interpreted that low-frequency infrasound signals could be generated from interactions among the ocean floor, shallow seawater and atmosphere. We performed numerical simulations of seismoacoustic fields to predict ground motions on the seafloor and acoustic transmission efficiency between the water and air interface. The simulations quantified the energy transfer through different media and clarified our observational results. We found that because this solid Earth‒water‒atmosphere coupled air wave has a relatively low frequency (~0.3 Hz), it can survive propagation over long distances compared with high-frequency infrasound waves generated in inland and mountain regions. In this study, we extend our understanding of water‒atmosphere coupling and the monitoring framework for earthquake-associated non-epicentral infrasound waves, encompassing not only inland ground shaking but also shallow sea regions located far from the epicentre.

Earthquake monitoring and test-ban treaty verifica↗

DOE OSTI2025

Numerical simulation of flow and mixing in fracture intersections

Fluid transport through fractured geological formations is strongly influenced by the redistribution of solutes at fracture intersections. In this study, we perform detailed numerical simulations of flow and scalar transport within the intersection of two smooth, planar fractures. The analysis focuses on the mixing ratio, the proportion of solute flux exiting along the outlet branch aligned with the primary inlet flow direction, relative to the total solute flux at the outlets. We systematically investigate how the mixing ratio varies with four key parameters: Peclet number, Reynolds number, flow rate ratio between outlet branches, and fracture intersection angle. Results show that the mixing ratio decreases with increasing Peclet number and outlet flow rate ratio, consistent with reduced diffusive spreading and enhanced streamline routing. While low Reynolds numbers have minimal impact, inertial effects at higher Reynolds numbers significantly increase the mixing ratio. Additionally, acute and obtuse intersection angles alter flow partitioning and modify the solute distribution at the outlets. These findings provide a quantitative basis for incorporating physically realistic mixing behavior—intermediate between complete mixing and streamline-following assumptions—into network-scale transport models. The results have direct relevance to subsurface energy systems, including geothermal energy production, carbon sequestration, and contaminant remediation.

58 GEOSCIENCES↗

DOE OSTI2022

Mechanically robust high magnetic-performance Sm-Co sintered magnets through microstructure engineering

Samarium-cobalt (Sm-Co) sintered magnets have high magnetic energy densities, great resistance to demagnetization and corrosion, and excellent thermal stability in a wide temperature range (–50–550 °C). However, the utilization of these magnets is restricted by their brittleness. Based on micromechanical and the Zener pinning model, Sm-Co sintered magnets with improved mechanical properties have been designed and fabricated via microstructure engineering. A small amount of fine Sm 2 O 3 particulates (0–3 wt%) has been incorporated into Sm 2 (CoFeCuZr) 17 sintered magnets to refine the grain size by up to approximately 50% (from 45 to 22 µm) and narrow the grain size distribution. Doping with 3 wt% Sm 2 O 3 increased the flexural strength by 62% while maintaining magnetic performance. Both grain-refined unimodal microstructure and heterogeneous laminated coarse/fine grain microstructure were formed by strategically designed assemblies of Sm 2 O 3 -added Sm-Co powder feedstock mixtures. The technology is compatible with existing magnet manufacturing processes. Numerical micromechanics simulation indicates that the fracture is dominated by intragranular mode. The mechanical strength is mainly enhanced by the additive-induced grain refinement, while the small amount of Sm 2 O 3 addition has a small direct positive contribution. Finally, these magnets will be more cost-effective, efficient, and robust for various functional applications.

36 MATERIALS SCIENCE↗