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At least 145 records · Page 8

Correct Initial Conditions for Simulations of Beam Physics in Linear Induction Accelerators

Flash radiography of hydrodynamic experiments driven by high explosives is a well-known diagnostic technique in use at many laboratories. At Los Alamos, the Dual Axis Radiographic Hydrodynamic Test (DARHT) facility two linear induction electron accelerators (LIAs) make the bremsstrahlung radiographic source spots for point projection radiographs from orthogonal views. A new LIA, called Scorpius, is presently under development to advance this technology. To better understand electron-beam physics in these LIAs, numerical simulations are frequently performed with the objective of improving the radiography. At Los Alamos we frequently use the TRAK ray-trace and LSP particle-in-cell (PIC) codes to simulate the injector, and the XTR and LAMDA envelope/centroid codes along with LSP to simulate transport of the accelerated beam through the LIAs. The LIA simulations need the injected beam parameters as initial conditions for calculating beam transport and stability. The determination of these initial conditions is the topic of this note.

43 PARTICLE ACCELERATORS↗

E-Area Low-Level Waste Facility GoldSim System Model

This report documents the development of the E-Area Low-Level Waste Facility (ELLWF) trench system model. The GoldSim® Monte Carlo simulation software is utilized to model the release and transport of radiological inventory disposed (both currently and in the future) within Engineered and Slit Trenches. This model is in support of the sensitivity and uncertainty analysis for the ELLWF Performance Assessment. The ELLWF system model utilizes a hybrid-approach to accurately describe the disposal system. The Hydrologic Evaluation of Landfill Performance model provides the infiltration data to both PORFLOW and GoldSim. PORFLOW is used to calibrate the GoldSim model to ensure confidence in the stochastic results. Finally, the concentrations from GoldSim transport simulations are fed into the SRNL Dose Toolkit to calculate dose impacts and assess plume interaction

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeling supercritical CO 2 flow and mineralization in reactive host rocks with PFLOTRAN v7.0

Understanding the flow and reactivity of CO 2 injected into geological reservoirs is important for many subsurface applications including secure geologic carbon storage (GCS), critical mineral extraction, enhanced geothermal systems (EGS), and enhanced oil recovery (EOR). Traditionally, subsurface CO 2 injection for GCS applications has focused on geologic formations with favorable subsurface configurations for CO 2 migration and trapping through non-reactive mechanisms such as structural, solubility, and petrophysical trapping. Recently, CO 2 -reactive rocks such as mafic and ultramafic basalts have been investigated for their potential to react with injected CO 2 in situ to simultaneously dissolve host rock minerals and mineralize CO 2 as carbonates. Engineering rapid CO 2 mineralization in the subsurface is attractive because of the increased density of stored CO 2 , the additional safety factors associated with solidification, and the potential to extract valuable critical minerals. Here we present recent developments in the parallel flow and reactive transport simulator PFLOTRAN to model coupled CO 2 -brine flow and reactive transport for a wide range of injection and production applications involving reactive CO 2 -brine systems. These developments are based on the well established and trusted CO 2 flow capabilities in the STOMP-CO 2 simulator. New capabilities added to PFLOTRAN include new CO 2 -brine equations of state with optional thermal coupling, several new constitutive relationships like capillary pressure smoothing and scanning path hysteresis, a fully implicit well model, and native linkage with PFLOTRAN's well-established reactive transport libraries. A series of benchmarks between PFLOTRAN and STOMP-CO 2 verify the newly developed CO 2 -brine flow capabilities. Demonstrations of coupled CO 2 -brine flow modeling and reactive transport show how CO 2 mineralization can be engineered in reactive host rocks. Finally, an example use case involving copper leaching by CO 2 and critical mineral extraction is presented to showcase the strengths of this new implementation. Several limitations still remain, including limited availability of field data to parameterize models. Future work should constrain the evolution of mineral surface area during mineralization and the temperature and/or pH dependence of geochemical reactions for specific systems of interest.

Critical Minerals↗

Turbulence suppression at extreme plasma densities on DIII-D and EAST

Recent high-poloidal-beta (high-βP) experiments on DIII-D and EAST have made coordinated breakthroughs for high confinement quality at high density near the Greenwald limit. Density gradient amplification of turbulence suppression at high βP can explain both of these achievements. Experiments on DIII-D have achieved Greenwald fraction (fGr = line-averaged density/Greenwald density) above 1 simultaneously with normalized energy confinement (H98y2) around 1.5, as required in fusion reactor designs but never before verified in tokamak experiments with the divertor configuration. A synergy between increased H98y2 and fGr is observed with strong gas puffing, due to the build-up of an internal transport barrier at large radius in the temperature and density channels. Transport simulations reveal that the favorable trend of reduced turbulent energy transport at higher density is only expected when increasing the density gradient at high local safety factor and high β, thus at high βP to ensure strong α-stabilization. These conditions are crucial to many conceptual designs for steady-state reactors. New experiments on EAST have nearly doubled the ion temperature at fGr ∼ 0.9, consistent with predict-first modeling results based on the same physics revealed from the DIII-D analysis. All previous EAST long-pulse H-modes have Ti ≪ Te near plasma axis. Transport modeling indicates that the profiles are limited by ion-temperature-gradient modes at mid-radius. The modeling also suggested potential solutions, including reducing magnetic shear, enhancing density gradients, and higher impurity concentration. Following this guidance, EAST experiments directly show a strong enhancement of Ti achieved with a combination of a second plasma current ramp-up, a density gradient increase, and a Zeff perturbation by a short pulse (100 ms) of impurity injection, as predicted by the earlier modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Assessment of flamelet/progress variable methods for supersonic combustion

Tabulated chemistry models, including the flamelet/progress variable approach, have been successfully used for a variety of turbulent flame simulations. The progress variable describes the progress of reactions in a system and parameterizes a lookup table of thermochemical variables. This approach reduces the cost of simulations, transporting only one scalar (progress variable) instead of the many species mass fractions required for detailed chemistry. Originally developed for low Mach number flame simulations, recent works have focused on extensions of this approach to compressible flames, supersonic combustion, and detonations, with applications such as scramjet combustors and rotating detonation engines. Unlike low Mach simulations, compressible flow simulations require solving the energy transport equation, which is coupled to the equation of state. This leads to additional modeling challenges regarding the thermodynamics and its impact on the chemistry. The validity of modeling assumptions, for example the relationship between energy and temperature, also varies with the combustion regime. The present work provides a detailed assessment of the existing strategies for chemistry tabulation for compressible/supersonic combustion, including detonations. A priori analysis indicates that approximations which are reasonable for weakly compressible flames may break down for shock-induced combustion. Furthermore, the analysis identifies specific assumptions and approximations that do not hold for detonations, emphasizing that care must be taken when applying tabulated chemistry models outside their intended combustion regimes.

Detonations↗

Understanding carbon sourcing and transport originating from the helicon antenna surfaces during high-power helicon discharge in DIII-D Tokamak

The high-power helicon wave system in the DIII-D tokamak could potentially introduce new plasma–material interaction (PMI) challenges owing to rectified RF sheath potentials that develop near the antenna and surrounding plasma-facing components. We present the first application of the STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to helicon-induced PMIs, extending previous STRIPE studies of ICRH antennas by incorporating net erosion, local re-deposition, and three-dimensional global impurity transport. The integrated workflow couples SOLPS, COMSOL, RustBCA, GITR, and GITRm to simulate carbon erosion, re-deposition, and impurity transport for two experimentally constrained DIII-D H-mode helicon operating scenarios with different antenna–plasma gaps, coupled RF powers, and edge plasma conditions. COMSOL predicts rectified RF sheath potentials of 1–5 kV localized near the lower portion of the antenna, where the magnetic field intersects the surface at grazing incidence. Carbon self-sputtering dominates the erosion source, whereas RF-accelerated D + ions contribute approximately 1% of the total gross erosion. The smaller-gap operating scenario exhibits substantially stronger gross erosion, enhanced local re-deposition (∼12%), and a larger confined carbon inventory owing to increased plasma accessibility and broader RF sheath coverage. Comparison with available DIII-D measurements shows no distinct change in the global carbon signal that correlates with the helicon RF pulse, consistent with the simulations indicating that the helicon-generated carbon source remains small compared with the existing background carbon inventory under the present graphite-wall operating conditions. These results demonstrate the capability of STRIPE to integrate RF sheath modeling, plasma transport, surface interaction physics, and three-dimensional impurity transport for the interpretation of helicon-induced PMIs. The study further identifies the principal sources of modeling uncertainty, including grazing-angle RF sheath physics, slow-wave resolution, plasma-background extrapolation, and trace-impurity transport assumptions, providing a framework for future validation and model development.

Kumar, Atul [Oak Ridge National Laboratory (ORNL),↗

Validation of realistic Monte Carlo plasma gamma-ray source on JET discharges

A novel modelling methodology has been developed for the creation of a realistic plasma gamma-ray source for Monte Carlo transport simulations in the tokamak JET. The methodology couples the TRANSP code for plasma transport calculations with the MCNP Monte Carlo particle transport code, thus connecting plasma physics with gamma-ray transport. Here, we present the validation of the developed source methodology by comparing calculated gamma-ray spectra with measurements performed at JET. The validation focuses on gamma-ray spectra measured by the tangential gamma-ray spectrometer during two JET three ion RF scenario discharges, performed in the JET 2019 deuterium experimental campaign. For validation the calculated plasma gamma-ray spectrum was combined with the neutron induced prompt gamma-ray background, originating in the vacuum vessel, and scaled to absolute values calculating the total number of plasma gamma-ray and neutron emitting reactions. The comparison between calculated and measured gamma-ray spectra shows good agreement with the shape of the calculated gamma-ray spectra matching that of measurements for both studied discharges. Moreover, the calculated absolute values of the gamma-ray spectra were of the same order of magnitude at the position of the gamma-ray detector located at the end of a long line-of-sight in a biological shield. Finally, the comparison has validated the developed plasma gamma-ray source methodology for MCNP photon transport calculations at JET. The validation provides a basis for the developed plasma gamma-ray source to be used as a support for the development of future tokamaks such as DEMO.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The effect of jet–ejecta interaction on the viewing angle dependence of kilonova light curves

ABSTRACT The merger of two neutron stars produces an outflow of radioactive heavy nuclei. Within a second of merger, the central remnant is expected to also launch a relativistic jet, which shock-heats and disrupts a portion of the radioactive ejecta. Within a few hours, emission from the radioactive material gives rise to an ultraviolet, optical, and infrared transient (a kilonova). We use the endstates of a suite of 2D relativistic hydrodynamic simulations of jet–ejecta interaction as initial conditions for multidimensional Monte Carlo radiation transport simulations of the resulting viewing angle-dependent light curves and spectra starting at $1.5\, \mathrm{h}$ after merger. We find that on this time-scale, jet shock heating does not affect the kilonova emission for the jet parameters we survey. However, the jet disruption to the density structure of the ejecta does change the light curves. The jet carves a channel into the otherwise spheroidal ejecta, revealing the hot, inner regions. As seen from near (≲30°) the jet axis, the kilonova is brighter by a factor of a few and bluer. The strength of this effect depends on the jet parameters, since the light curves of more heavily disrupted ejecta are more strongly affected. The light curves and spectra are also more heavily modified in the ultraviolet than in the optical.

Klion, Hannah↗

RouteE: A Vehicle Energy Consumption Prediction Engine

The emergence of connected and automated vehicles and smart cities technologies create the opportunity for new mobility modes and routing decision tools, among many others. To achieve maximum mobility and minimum energy consumption, it is critical to understand the energy cost of decisions and optimize accordingly. The Route Energy prediction model (RouteE) enables accurate estimation of energy consumption for a variety of vehicle types over trips or sub-trips where detailed drive cycle data are unavailable. Applications include vehicle route selection, energy accounting and optimization in transportation simulation, and corridor energy analyses, among others. The software is a Python package that includes a variety of pre-trained models from the National Renewable Energy Laboratory (NREL). However, RouteE also enables users to train custom models using their own data sets, making it a robust and valuable tool for both fast calculations and rigorous, data-rich research efforts. The pre-trained RouteE models are established using NREL's Future Automotive Systems Technology Simulator paired with approximately 1 million miles of drive cycle data from the Transportation Secure Data Center, resulting in energy consumption behavior estimates over a representative sample of driving conditions for the United States. Validations have been performed using on-road fuel consumption data for conventional and electrified vehicle powertrains. Transferring the results of the on-road validation to a larger set of real-world origin-destination pairs, it is estimated that implementing the present methodology in a green-routing application would accurately select the route that consumes the least fuel 90% of the time. The novel machine learning techniques used in RouteE make it a flexible and robust tool for a variety of transportation applications.

47 OTHER INSTRUMENTATION↗

Adaptive Multirate Mass Transfer (aMMT) Model: A New Approach to Upscale Regional‐Scale Transport Under Transient Flow Conditions

Abstract The long‐term evaluation of regional‐scale groundwater quality needs efficient upscaling methods for transient flow. Upscaling techniques, such as the Multirate Mass Transfer (MRMT) method with constant upscaling parameters, have been used for transport with steady‐state flow, yet the upscaling parameters (i.e., rate coefficients) may be time dependent. This study proposed and validated an adaptive MRMT (aMMT) method by allowing the mass transfer coefficients in MRMT to change with the flow field. Advective‐dispersive contaminant transport simulated in a 3‐D heterogeneous medium was used as a reference solution. Equivalent transport under homogeneous flow conditions was evaluated by applying the MRMT and aMMT models for upscaling. The relationship between mass transfer coefficients and flow rates was fitted under steady‐state flow driven by various hydraulic gradients. A power law relationship was obtained, which was then used to update the mass transfer coefficients in each stress period under transient flow conditions in the aMMT method. Results indicated that for advection‐dominated transport, both the MRMT and aMMT methods can upscale the anomalous transport dynamics affected by subgrid heterogeneity under transient flow conditions. Whereas for diffusion‐dominated systems, the MRMT model failed to capture the tails of tracer breakthrough curves after the boundary condition changed, but the results from the aMMT model were significantly improved. However, if the overall flow direction changed, both MRMT and aMMT failed to represent the breakthrough curve tail generated by the heterogeneous system. The results point toward a promising path for upscaling transport in complex aquifers with transient flow.

Guo, Zhilin↗

SOLPS-ITER validation with TCV L-mode discharges

This work presents a quantitative test of SOLPS-ITER simulations against tokamak a configuration variable (TCV) L-mode experiments. These simulations account for drifts, currents, kinetic neutrals, and carbon impurities providing the most complete edge transport simulations for TCV to date. The comparison is performed on nominally identical discharges carried out to assess the effectiveness of TCV’s divertor baffles in the framework of the European Plasma Exhaust program and employs numerous edge diagnostics providing a detailed code-experiment benchmark for TCV. The simulations show a qualitative consistency, but the quantitative differences remain, which are assessed herein. It is found that, for a given separatrix density, the simulations most notably yield a colder, and denser, divertor state with a higher divertor neutral pressure than measured.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling Single and Two-Phase Transport in Thin Porous Layers Using a Composite Continuum-Pore Network Formulation

In this work, a composite continuum-pore network formulation is presented to model single and two-phase transport thin porous layers, such as gas diffusion layers in polymer electrolyte fuel cells (PEFCs) and active electrodes in redox flow batteries (RFBs). The formulation can be integrated into CFD codes, thus combining the ease of implementation of continuum-based modeling and the computational power of pore-network modeling. The composite model includes a control volume (CV) mesh at the layer scale, which embeds a cubic pore network [1,2]. The pore-network model is used to determine analytically local anisotropic effective transport properties (local effective diffusivity and permeability), which are mapped onto the CV mesh to simulate transport in the porous transport layer [3,4]. Good agreement is found between the predicted global effective transport properties (global effective diffusivity and permeability) under dry and wet conditions and previous experimental data reported in the literature for Toray TGP-H series carbon paper. Water saturation distributions are also compared with results obtained using X-ray computed tomography [4]. [1] P.A. García-Salaberri, I.V. Zenyuk, J.T. Gostick, A.Z. Weber, Modeling Gas Diffusion Layer in Polymer Electrolyte Fuel Cells Using a Continuum-Based Pore-Network Formulation, ECS Trans. 97 (2020) 615. [2] P.A. García-Salaberri, Modeling diffusion and convection in thin porous transport layers using a composite continuum-network model: Application to gas diffusion layers in polymer electrolyte fuel cells, Int J. Heat Mass Transf. (2020), submitted. [3] P.A. García-Salaberri, J.T. Gostick, G. Hwang, A.Z. Weber, M. Vera, Effective diffusivity in partially-saturated carbon-fiber gas diffusion layers: Effect of local saturation and application to macroscopic continuum models, J. Power Sources 296 (2015) 440–453. [4] P.A. García-Salaberri, G. Hwang, M. Vera, A.Z. Weber, J.T. Gostick, Effective diffusivity in partially-saturated carbon-fiber gas diffusion layers: Effect of through-plane saturation distribution, Int. J. Heat Mass Transf. 86 (2015) 319–333.

Garcia-Salaberri, Pablo↗

Polarization Transport in the ERL-ERL FCC e + e - Collider

An alternative approach for the Future Circular electron-positron Collider uses energy recovery linac recirculators to mitigate the otherwise enormous power consumption needed to compensate 100 MW of beam energy losses by synchrotron radiation in a ring-ring design. This approach would also allow to extend CM energy to 500 GeV (or above) for double Higgs production. An additional advantage of the ERL-ERL scheme is its allowing polarized e + e - beam collision. A 100 km, 6250cell, 220 GeV loop is subjected to polarized bunch transport simulations. A linear Fixed Field Alternating gradient (FFA) design is also assessed as to spin transport.

43 PARTICLE ACCELERATORS↗

Upsampling Monte Carlo Reactor Simulation Tallies in Depleted Sodium-Cooled Fast Reactor Assemblies Using a Convolutional Neural Network

The computational demand of neutron Monte Carlo transport simulations can increase rapidly with the spatial and energy resolution of tallied physical quantities. Convolutional neural networks have been used to increase the resolution of Monte Carlo simulations of light water reactor assemblies while preserving accuracy with negligible additional computational cost. Here, we show that a convolutional neural network can also be used to upsample tally results from Monte Carlo simulations of sodium-cooled fast reactor assemblies, thereby extending the applicability beyond thermal systems. The convolutional neural network model is trained using neutron flux tallies from 300 procedurally generated nuclear reactor assemblies simulated using OpenMC. Validation and test datasets included 16 simulations of procedurally generated assemblies, and a realistic simulation of a European sodium-cooled fast reactor assembly was included in the test dataset. We show the residuals between the high-resolution flux tallies predicted by the neural network and high-resolution Monte Carlo tallies on relative and absolute bases. The network can upsample tallies from simulations of fast reactor assemblies with diverse and heterogeneous materials and geometries by a factor of two in each spatial and energy dimension. The network’s predictions are within the statistical uncertainty of the Monte Carlo tallies in almost all cases. This includes test assemblies for which burnup values and geometric parameters were well outside the ranges of those in assemblies used to train the network.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Single-Well Push–Pull Tracer Test Analyses to Determine Aquifer Reactive Transport Parameters at a Former Uranium Mill Site (Grand Junction, Colorado)

At a former uranium mill site where tailings have been removed, prior work has determined several potential ongoing secondary uranium sources. These include locations with uranium sorbed to organic carbon, uranium in the unsaturated zone, and uranium associated with the presence of gypsum. To better understand uranium mobility controls at the site, four single-well push–pull tests (with a drift phase) were completed with the goal of deriving aquifer flow and contaminant transport parameters for inclusion in a future sitewide reactive transport model. This goes beyond the traditional use of a constant sorption distribution coefficient (K d ) and allows for the evaluation of alternative remedial injection fluids, which can produce variable K d values. Dispersion was first removed from the resulting data to determine possible reactions before conducting reactive transport simulations. These initial analyses indicated the potential need to include cation exchange, uranium sorption, and gypsum dissolution. A reactive transport model using multiple layers to account for partially penetrating wells was completed using the PHT-USG reactive transport modeling code and calibrated using PEST. The model results quantify the hydraulic conductivity and dispersion parameters using the injected tracer concentrations. Uranium sorption, cation exchange, and gypsum dissolution parameters were quantified by comparing the simulated versus observed geochemistry. All simulations required some cation exchange and calcite equilibrium, and one simulation required gypsum dissolution to improve the model fit for calcium and sulfate. Uranium sorption parameters were not strongly influenced by the other parameter values but were highly influenced by uranium concentrations during the drift phase, with possible kinetic rate limitations. Thus, a future recommendation for such push–pull tests is to collect more geochemical data during the drift phase. The final uranium sorption parameters were within the range of values determined from prior column testing. The flow and transport parameters derived from these single-well push–pull tests will provide initial parameters for any future sitewide reactive transport model.

54 ENVIRONMENTAL SCIENCES↗

Exascale-capable cellular automaton for nucleation and grain growth

This model is a cellular automata-based algorithm used to predict grain-scale microstructure development. Nucleation and growth of existing grains are considered in an initially liquid domain, where the temperature field evolution is either driven through heat transport simulation data or a frozen temperature approximation (i.e., a constant cooling rate and a fixed thermal gradient). The growth of grains is based on the decentered octahedron algorithm published by Gandin and Rappaz (https://doi.org/10.1016/S1359-6454(96)00303-5), where the grain envelopes are tracked as approximations of the evolving dendritic growth front. The input heat transport data, which can come from simulation of an arbitrary processing technique, consists of coordinates and times at which said coordinates fall below the liquidus and solidus temperatures for the final time. As a result, only the final solidification of a given region is modeled (no remelting). The code is designed to be compatible with pre-Exascale architectures, and uses MPI and the Kokkos library to decompose the computational domain and offload solidification calculations to GPUs.

Rolchigo, MatthewR.↗

CADIS and FW-CADIS Variance Reduction in Gamma Transport for Predicting Prompt Forensics Signatures

The goal of prompt nuclear forensics is to determine the characteristics of a nuclear detonation based on the signatures available almost immediately after the explosion. An important characteristic is the reaction time history (RTH), a measure of the device’s rate of neutron multiplication. The RTH can be estimated by observation of the gamma radiation emitted from the detonation, which can be detected directly or observed indirectly as Teller light. Gamma transport simulations used to predict these radiation fields are often modeled stochastically using the Monte Carlo N-Particle (MCNP) code, which can be a computationally demanding task due to the number of particle histories needed to achieve statistical convergence. In an attempt to improve the efficiency of these calculations, we evaluate two variance reduction techniques: Consistent Adjoint-Driven Importance Sampling (CADIS) and Forward-Weighted Consistent Adjoint-Driven Importance Sampling (FW-CADIS). These methods use a deterministically calculated adjoint flux to create weight windows and source biasing that guide MCNP sampling. We study the utility of CADIS and FW-CADIS for their use in MCNP gamma transport for nuclear forensics prediction simulations. Furthermore, the results demonstrate that both CADIS and FW-CADIS improve the accuracy for forensics-focused simulations, with CADIS being most beneficial in direct detection and FW-CADIS being ideal for computing a global Teller light source.

CADIS↗