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Hydrologic Model Data for the East Fork Poplar Creek Watershed Simulated with the Advanced Terrestrial Simulator (ATS): Streamflow and Network Expansion–Contraction Dynamics

This dataset supports hydrologic modeling and stream network expansion–contraction analysis for the East Fork Poplar Creek (EFPC) Watershed in Tennessee. It includes a Jupyter notebook for model setup, model configuration files, simulation outputs, and derived products used to evaluate model performance and investigate stream dynamics under varying hydrologic conditions. The dataset was generated using the Watershed Workflow Python package and the Advanced Terrestrial Simulator (ATS), enabling integrated surface–subsurface hydrologic simulations using a stream-aligned mesh. Outputs include high-resolution time series of streamflow, active network length, water table depth, and related hydrologic variables. Also included are spatially explicit stream persistency indices and classifications of reaches as perennial or non-perennial. These data facilitate reproducibility and support further research on stream intermittency and variability in network extent.The model data archive is organized in following directories:1) model_setup_inputsContains the Watershed Workflow Jupyter notebooks (accessed through any open source code editor), selected input datasets, and resulting ATS input files, including XML files (access through any open source code editor), computational mesh (.exo files can be viewed using Paraview), and meteorological forcing files (.h5 files can be accessed through h5py python package and HDFView open source software). 2) model_outputsIncludes ATS simulation outputs relevant to this study. Time series of spatially integrated or averaged variables (e.g., streamflow, water table depth) are provided as CSV files. Select spatial fields (e.g., ponded depth and water table depth) are saved as pickled Python objects to reduce file size, and can be accessed through pickle package in Python. Key geometry objects from Watershed Workflow—such as the surface mesh and river tree—are also included to support analysis of streamflow persistency and expansion–contraction dynamics. These files can also be accessed through Watershed Workflow Python package.3) model_evaluationProvides observed streamflow time series and field survey-based flow regime classifications used to evaluate model performance. Jupyter notebooks for processing ATS outputs and comparing model predictions with observations to build confidence in the model prior to scientific analysis are also included.4) Q_L_relationshipsContains workflows for generating time series of discharge, active network length, and related hydrologic variables used in the stream network expansion–contraction analysis. Includes routines for delineating baseflow-dominated periods. For each catchment, notebooks and processed data (as pickled DataFrames accessed through Pandas Python package) are provided. 5) figure_scriptsProvides the Jupyter notebooks used to generate the figures presented in the paper.

54 ENVIRONMENTAL SCIENCES↗

The role of B T -dependent flows on W accumulation at the edge of the confined plasma

Abstract Near-separatrix impurity accumulation between the crown and the outer midplane of tokamaks is a common feature in results from codes such as SOLPS-ITER and DIVIMP; however, experimental evidence of accumulation has only recently been obtained and is reported here. The codes find that the poloidal distribution of impurity ions in the scrape-off layer (SOL) depends primarily on toroidal field ( B T )-dependent parallel flow patterns of the background plasma and the parallel ion temperature gradient (∇ ‖ T ion ) force. Experimentally, Mach probes used in L-mode plasmas with favorable (for H-mode access) B T measure fast ( M ∼ 0.3–0.5) inner-target-directed (ITD) background plasma flows at the crown of single-null discharges. This study reports a set of DIVIMP simulations for two similar H-mode discharges from the DIII-D W metal rings campaign differing primarily in B T -direction to assess the effect that fast ITD flows have on the distribution of W ions in the SOL. It is found that for imposed ITD flows of M = 0.3, W ions that otherwise accumulate due to the ∇ ‖ T ion -force are largely flushed out. It is also found that doubling the radial diffusion coefficient from 0.3 to 0.6 m 2 s −1 prevents accumulation due to rapid cross-field transport into the far-SOL, where background plasma flows drain W ions to the divertors. Far-SOL W distributions from DIVIMP are then used to specify input to the impurity transport code 3DLIM, which is used to interpretively model collector probe (CP) deposition patterns measured in the ‘wall-SOL’. It is demonstrated that the deposition patterns are consistent with the DIVIMP predictions of near-SOL accumulation for the unfavorable- B T direction, and little/no accumulation for the favorable- B T direction. The wall-SOL CPs have thus provided the first experimental evidence, albeit indirect, of near-SOL W accumulation—finding it occurs for the unfavorable- B T direction only. For the favorable- B T direction, fast flows can largely prevent accumulation from occurring.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nuclear fusion powered Titan aircraft

This paper discusses a system for Titan exploration enabled by nuclear fusion power. Titan is one of the most interesting locations in the solar system with a thick atmosphere, surface oceans, under-ice oceans and complex terrain. This paper provides a conceptual design of a fusion-powered system to explore many parts of Titan and enable the use of high-power instruments. The design includes a fusion-powered orbital transfer vehicle and an electric Titan science aircraft. A Direct Fusion Drive (DFD) propulsive engine could bring a sizable spacecraft to Titan orbit in less than two years. A second fusion reactor, configured as a closed-loop power generator, would be used for an electric Titan science aircraft. Both reactors are based on the Princeton Field-Reversed Configuration (PFRC) concept which combines an FRC with a magnetic mirror. PFRC uses a novel radio-frequency plasma heating system and deuterium-helium-3 fuel. A lower temperature plasma flows around the closed-field FRC region removing the fusion products. In the DFD propulsive configuration, this secondary flow permits direct and variable thrust and exhaust velocity. The science aircraft would do a powered entry to Titan and then have the capability to fly anywhere on the moon at subsonic speeds. The DFD-powered transfer vehicle would allow the in-orbit transfer stage to change inclination as needed to cover different areas of the surface.

33 ADVANCED PROPULSION SYSTEMS↗

Reynolds number dependence of Lagrangian dispersion in direct numerical simulations of anisotropic magnetohydrodynamic turbulence

Large-scale magnetic fields thread through the electrically conducting matter of the interplanetary and interstellar medium, stellar interiors and other astrophysical plasmas, producing anisotropic flows with regions of high-Reynolds-number turbulence. It is common to encounter turbulent flows structured by a magnetic field with a strength approximately equal to the root-mean-square magnetic fluctuations. In this work, direct numerical simulations of anisotropic magnetohydrodynamic (MHD) turbulence influenced by such a magnetic field are conducted for a series of cases that have identical resolution, and increasing grid sizes up to $2048^3$ . The result is a series of closely comparable simulations at Reynolds numbers ranging from 1400 up to 21 000. We investigate the influence of the Reynolds number from the Lagrangian viewpoint by tracking fluid particles and calculating single-particle and two-particle statistics. The influence of Alfvénic fluctuations and the fundamental anisotropy on the MHD turbulence in these statistics is discussed. Single-particle diffusion curves exhibit mildly superdiffusive behaviours that differ in the direction aligned with the magnetic field and the direction perpendicular to it. Competing alignment processes affect the dispersion of particle pairs, in particular at the beginning of the inertial subrange of time scales. Scalings for relative dispersion, which become clearer in the inertial subrange for a larger Reynolds number, can be observed that are steeper than indicated by the Richardson prediction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling and Understanding of Rear Junction Double-Side Passivated Contact Solar Cells with Selective Area TOPCon on Front

Device modeling is performed to propose > 25% efficient industry-compatible rear junction double-side passivated contacts solar cell structure with full area p-TOPCon on the rear and selective area n-TOPCon under the front grid pattern (selective TOPCon). Here, this design enables the use of thicker TOPCon (>100nm) on the front for traditional screen-printed contacts without incurring metal-induced damage, high parasitic absorption loss, and compromise in lateral transport or carrier collection on the front. Rear junction design with appropriate bulk lifetime and resistivity combination eliminate the need for heavy doping in the front field region because carriers can flow through the bulk Si without appreciable FF loss. High VOC is maintained because high-quality Si surface passivation in the field region by Al 2 O 3 /SiN gives J 0 comparable to the TOPCon. Our device modeling specifies the practically achievable properties and parameters for each region, including full area rear p-TOPCon, selective area front n-TOPCon, bulk and contacts, to achieve 25.4% efficiency screen-printed bifacial rear junction selective TOPCon cells.

14 SOLAR ENERGY↗

Nonadiabatic Force Matching for Alchemical Free-Energy Estimation

We propose a method to compute free-energy differences from nonadiabatic alchemical transformations by using flow-based generative models. The method, nonadiabatic force matching, hinges on estimating the dissipation along an alchemical switching process in terms of a nonadiabatic force field that can be learned through stochastic flow matching. The learned field can be used in conjunction with short-time trajectory data to evaluate upper and lower bounds on the alchemical free energy that variationally converge to the exact value if the field is optimal. Applying the method to evaluate the alchemical free energy of atomistic models shows that it can substantially reduce the simulation cost of a free-energy estimate at a negligible loss of accuracy when compared with thermodynamic integration.

Computational chemistry↗

Zonal shear layer collapse and the power scaling of the density limit: old L-H wine in new bottles

Edge shear layer collapse causes edge cooling and aggravates radiative effects. This paper details on the microscopic dynamics of the emergence of power (Q) scaling of density limit (DL) from the shear layer collapse transport bifurcation scenario. The analysis is based on a novel 4-field model, which evolves turbulence energy, zonal flow energy, temperature gradient and density, including the neoclassical screening of zonal flow response. Bifurcation analysis yields power scaling of critical density for shear layer collapse as $n_{crit}\sim Q^{1/3}$. The favorable Q scaling of the DL emerges from the fact that the shear layer strength increases with Q, thus preventing shear layer collapse. This in turn reduces particle transport and improves particle confinement. RMP induced ambient stochastic fields degrade the shear layer by inducing decoherence in the Reynolds stress. As a result the particle transport increases and particle confinement degrades. This leads to the emergence of unfavorable stochastic field intensity ($b_{st}^{2}$) scaling of the critical density as $n_{crit}\sim(1+b_{st}^{2})^{-5/3}$. All fields, including zonal flow shear, exhibit hysteresis when the power (Q) is ramped cyclically across the bifurcation point. The hysteresis is due to dynamical delay in bifurcation on account of critical slowing down. Furthermore, the dynamical hysteresis here is fundamentally different from the hysteresis associated with the existence of bi-stable states.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of artificial viscosity on shocked particle-laden flows for staggered grid Lagrangian methods

Abstract Shocked particle-laden flows are important to many natural and industrial processes. When simulating these systems, artificial viscosity is often required to prevent numerical artifacts, such as ringing, from arising in the pressure and density fields. The linear and quadratic coefficients of the artificial viscosity determine the amount of smoothing that occurs in these fields. For particle-laden flows, however, many of the fluid–particle interaction forces, for example, the pressure gradient force and unsteady forces, depend on gradients in the fluid fields. Furthermore, while the shock passes over a particle, these forces can be more dominant than drag. This means that the artificial viscosity coefficients affect how a particle and fluid interact when simulating shocked particle systems. Here this effect is investigated for isolated particles and for a particle curtain using a staggered grid Lagrangian approach. The artificial viscosity coefficients have a significant impact on the maximum force that a fluid imparts to a particle, which is important for determining whether a particle will break up in response to the shock. Furthermore, it is found that the density ratio between the particle and the fluid is important in determining whether the artificial viscosity coefficients have a significant impact on the particle’s motion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Aspects of scaling and scalability for flow-based sampling of lattice QCD

Recent applications of machine-learned normalizing flows to sampling in lattice field theory suggest that such methods may be able to mitigate critical slowing down and topological freezing. However, these demonstrations have been at the scale of toy models, and it remains to be determined whether they can be applied to state-of-the-art lattice quantum chromodynamics calculations. Assessing the viability of sampling algorithms for lattice field theory at scale has traditionally been accomplished using simple cost scaling laws, but as we discuss in this work, their utility is limited for flow-based approaches. We conclude that flow-based approaches to sampling are better thought of as a broad family of algorithms with different scaling properties, and that scalability must be assessed experimentally.

Abbott, Ryan↗

Non-Destructive Imaging of a Liquid Moving Through Porous Media Using a Computer Tomography Scanner

The most common approach used by modelers to describe movement of liquids through a porous solid, such as cement, sediment, or glass, is to assume a uniform flow rate, such as a Darcy Flux or a diffusion constant. However, this convenient simplification is problematic because in many cases it ignors the presence of fractures and macropores, which commonly dominate water flow and contaminant transport. For this reason, it is common that such modeling results do not reflect the multi-modal flow detected in laboratory and field studies. The objective of this seedling study was to develop a new capability for SRNL to track liquid moving through micro- (matrix-) and macro-flow using an X-ray Computed Topography (CT) Scanner. 4-dimensional anamated renditions were created that permited quantifying traditional matrix flow and macropore flow. These animations were modelled using a public domain software, HYDRUS 1-D, describing one dimension, dual-porosity and dual-permeability processes. This new capability provides a proof of concept for reducing model uncertainty applicable to waste disposal risk calculations, environmental remediation, and waste form development when describing the movement of liquids as they pass through glass, cement, fractured rock, or soil.

47 OTHER INSTRUMENTATION↗

Bubble Transport through a Porous Lattice with an Applied Inlet Flow

Within gas-evolving electrochemical systems, bubbles negatively impact performance by covering electrode active sites for reactions, blocking electric field lines, and obstructing liquid electrolyte flow causing pressure buildup. Recent additive manufacturing advances have enabled tuned porous electrode microstructures to be created, but producing systems that maximize electrochemical throughput and minimize bubble impact remains challenging. Thus, improved physical understanding of and modeling capabilities for bubble behavior are critical to improve electrolyzer design. To address this need, this study examines rising stage bubbles within a lattice with an applied liquid flow—an underexplored regime that strongly influences an electrochemical bubble’s fate. Notably, theoretical predictions and resolved bubble simulations are complemented by experiments from a 3D-printed visualization cell that matches the simulation geometry. The minimum threshold flow rate to achieve bubble breakthrough is found to be larger for higher porosities and for smaller bubbles. Different-sized bubbles decrease expected electrochemical performance in different ways; smaller bubbles tend to stay stuck but cover less solid surface, while larger bubbles more readily break through but cover more surface while in the lattice. The bubble trajectory, deformation, and contact area provide insight into these different behaviors. These findings provide design guidelines toward creating more effective electrolyzers.

Guo, Jack [Lawrence Livermore National Laboratory ↗

Toward full simulations for a liquid metal blanket: part 2. Computations of MHD flows with volumetric heating for a PbLi blanket prototype at Ha ~10 4 and Gr ~10 12

On the pathway toward full simulations for a liquid metal (LM) blanket, this part 2 extends a previous study of purely magnetohydrodynamic (MHD) flows in a DCLL blanket in reference Chen et al (2020 Nucl. Fusion 60 076003) to more general conditions when the MHD flow is coupled with heat transfer. The simulated prototypic blanket module includes all components of a real LM blanket system, such as supply ducts, inlet and outlet manifolds, multiple poloidal ducts and a U-turn zone. Volumetric heating generated by fusion neutrons is added to simulate thermal effects in the flowing lead–lithium (PbLi) breeder. The MHD flow equations and the energy equation are solved with a DNS-type finite-volume code ‘MHD-UCAS’ on a very fine mesh of 470 × 10 6 cells. The applied magnetic field is 5 T (Hartmann number Ha ~ 10 4 ), the PbLi velocity in the poloidal ducts is 10 cm s –1 (Reynolds number Re ~10 5 ), whereas the maximum volumetric heating is 30 MW m –3 (Grashof number Gr ~ 10 12 ). Four cases have been simulated, including forced- and mixed-convection flows, and either an electrically conducting or insulating blanket structure. Various comparisons are made between the four computed cases and also against the purely MHD flows computed earlier in reference Chen et al (2020 Nucl. Fusion 60 076003) with regards to the (1) MHD pressure drop, (2) flow balancing, (3) temperature field, (4) flows in particular blanket components, and (5) 3D and turbulent flow effects. The strongest buoyancy effects were found in the poloidal ducts. In the electrically non-conducting blanket, the buoyancy forces lead to significant modifications of the flow structure, such as formation of reverse flows, whereas their effect on the MHD pressure drop is relatively small. In the electrically conducting blanket case, the buoyancy effects on the flow and MHD pressure drop are almost negligible.

Physics↗

First evidence of dominant influence of E × B drifts on plasma cooling in an advanced slot divertor for tokamak power exhaust

Addressing power exhaust in tokamaks is presently recognized as one of the major remaining open issues for the development of fusion reactors. At the forefront of this endeavor is the effort to develop an advanced divertor by maximizing dissipation of plasma power and momentum inside the divertor. Here, we demonstrate, for the first time, that the electromagnetic (E × B) drifts exert a key influence on plasma and gas dynamics in a new advanced slot divertor in the DIII-D tokamak, named the small angle slot (SAS). SAS leverages the effect of drifts to achieve a highly dissipative divertor with electron temperature T e ≲ 10 eV over a wide range of plasma densities, for ion B × ∇B away from the divertor, as used for advanced tokamak operation on DIII-D. Modeling with the SOLPS-ITER code shows that for this drift direction, the E × B flow carries particles toward the outer common flux region (CFR) via the private flux region (PFR), reinforcing neutral recycling and enhancing divertor dissipation. In contrast, for the opposite field direction, the E × B flow carries particles away from the outer CFR into the PFR, offsetting the anticipated SAS geometric effects. Furthermore, this finding is an important step in the understanding of the behavior of advanced divertors for achieving a power exhaust solution for fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling Study of Reduced Tubing Size Effects on Flow in Depleted Reservoir Natural Gas Storage Wells

This report explores the effects of tubing size reductions on natural gas flow from representative depleted reservoir underground storage wells and fields using basic models for coupled reservoir and pipe flow. This work was motivated by interest at the U.S. Department of Transportation, Pipeline and Hazardous Materials Safety Administration, in evaluating the effects of tubing and packer as a potential safety upgrade to implement double-barrier systems to existing underground natural gas storage wells. Reservoir and well flow models were developed from widely accepted industry equations, verified against a commercial process simulator model, and validated against field data. The study utilized U.S. operator survey data to provide context and assure that modeling parameters including aver age deliverability rates for wells and fields, operating pressures, well depths, and storage capacities were all carefully considered to keep the modeling relevant to the known range of U.S. operations. The models generally found that wells and fields with inherently low deliverability were relatively insensitive to reductions in tubing diameter, primarily because the hydraulics in those cases were controlled by reservoir properties. For the high-producing wells and fields, the models found that reducing tubing diameter could produce significant reductions in deliverability, both at the field- and well-level. When put into context with occurrence data regarding average deliverability of fields and wells, it appears that most wells and most fields across the U.S. would experience deliverability reductions on the low end of what was simulated here, generally below 20%. For fields with moderate to high deliverability, reductions were generally larger, and could reach as high as 60% for the highest-producing wells and fields.

03 NATURAL GAS↗

Competition for Management and Operation of Los Alamos National Laboratory

Reconnection is one of the key nonlinear processes in a plasma, in which great amounts of magnetic energy can be rapidly transformed and released via a change in magnetic topology. Field lines of opposite polarity flow together, annihilate, and release pent-up magnetic stress. Snapshots from one of our 2D test simulations (Fig 1) demonstrate key stages in magnetic reconnection. First, antiparallel magnetic field lines are brought together by an inflow in the z direction (the “upstream”). Second, the field lines begin reconnecting and an outflow forms in the x direction (the “downstream”). Finally, in the fully nonlinear stage, structures known as plasmoids are formed.

79 ASTRONOMY AND ASTROPHYSICS↗

Coupling between Alfven wave and Kelvin-Helmholtz waves in the low latitude boundary layer

The Kelvin-Helmholtz (KH) instability of magnetohydrodynamic surface waves at the low latitude boundary layer is examined using both an eigenfrequency analysis and a time-dependent wave simulation. The analysis includes the effects of sheared flow and Alfven velocity gradient. When the magnetosheath flows are perpendicular to the ambient magnetic field direction, unstable KH waves that propagate obliquely to the sheared flow direction occur at the sheared flow surface when the Alfv\'en Mach number is higher than an instability threshold. Including a shear transition layer between the magnetosphere and magnetosheath leads to secondary KH waves (driven by the sheared flow) that are coupled to the resonant surface Alfven wave. There are remarkable differences between the primary and the secondary KH waves including wave frequency, the growth rate, and the ratio between transverse and the compressional component. The secondary KH wave energy is concentrated near the shear Alfven wave frequency at the magnetosheath with a lower frequency than the primary KH waves. Although the growth rate of the secondary KH waves is lower than the primary KH waves, the threshold condition is lower, so it is expected that these types of waves will dominate at lower Mach number. Because the transverse component of the secondary KH waves is stronger than the primary KH waves, more efficient wave energy transfer from the boundary layer to the inner magnetosphere is also predicted.

Alfven wave↗

Coupling Between Alfvén Wave and Kelvin–Helmholtz Waves in the Low Latitude Boundary Layer

The Kelvin–Helmholtz (KH) instability of magnetohydrodynamic surface waves at the low latitude boundary layer is examined using both an eigenfrequency analysis and a time-dependent wave simulation. The analysis includes the effects of sheared flow and Alfvén velocity gradient. When the magnetosheath flows are perpendicular to the ambient magnetic field direction, unstable KH waves that propagate obliquely to the sheared flow direction occur at the sheared flow surface when the Alfvén Mach number is higher than an instability threshold. Including a shear transition layer between the magnetosphere and magnetosheath leads to secondary KH waves (driven by the sheared flow) that are coupled to the resonant surface Alfvén wave. There are remarkable differences between the primary and the secondary KH waves, including wave frequency, the growth rate, and the ratio between the transverse and compressional components. The secondary KH wave energy is concentrated near the shear Alfvén wave frequency at the magnetosheath with a lower frequency than the primary KH waves. Although the growth rate of the secondary KH waves is lower than the primary KH waves, the threshold condition is lower, so it is expected that these types of waves will dominate at a lower Mach number. Because the transverse component of the secondary KH waves is stronger than that of the primary KH waves, more efficient wave energy transfer from the boundary layer to the inner magnetosphere is also predicted.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnetogenesis in a Collisionless Plasma: From Weibel Instability to Turbulent Dynamo

We report on a first-principles numerical and theoretical study of plasma dynamo in a fully kinetic framework. By applying an external mechanical force to an initially unmagnetized plasma, we develop a self-consistent treatment of the generation of “seed” magnetic fields, the formation of turbulence, and the inductive amplification of fields by the fluctuation dynamo. Driven large-scale motions in an unmagnetized, weakly collisional plasma are subject to strong phase mixing, which leads to the development of thermal pressure anisotropy. This anisotropy triggers the Weibel instability, which produces filamentary “seed” magnetic fields on plasma-kinetic scales. The plasma is thereby magnetized, enabling efficient stretching and folding of the fields by the plasma motions and the development of Larmor-scale kinetic instabilities such as the firehose and mirror. The scattering of particles off the associated microscale magnetic fluctuations provides an effective viscosity, regulating the field morphology and turbulence. During this process, the seed field is further amplified by the fluctuation dynamo until energy equipartition with the turbulent flow is reached. By demonstrating that equipartition magnetic fields can be generated from an initially unmagnetized plasma through large-scale turbulent flows, this work has important implications for the origin and amplification of magnetic fields in the intracluster and intergalactic mediums.

79 ASTRONOMY AND ASTROPHYSICS↗