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At least 757 records · Page 42

Review of the second charged-particle transport coefficient code comparison workshop

We report the results of the second charged-particle transport coefficient code comparison workshop, which was held in Livermore, California on 24–27 July 2023. This workshop gathered theoretical, computational, and experimental scientists to assess the state of computational and experimental techniques for understanding charged-particle transport coefficients relevant to high-energy-density plasma science. Data for electronic and ionic transport coefficients, namely, the direct current electrical conductivity, electron thermal conductivity, ion shear viscosity, and ion thermal conductivity were computed and compared for multiple plasma conditions. Additional comparisons were carried out for electron–ion properties such as the electron–ion equilibration time and alpha particle stopping power. Overall, 39 participants submitted calculated results from 18 independent approaches, spanning methods from parameterized semi-empirical models to time-dependent density functional theory. In the cases studied here, we find significant differences—several orders of magnitude—between approaches, particularly at lower temperatures, and smaller differences—roughly a factor of five—among first-principles models. We investigate the origins of these differences through comparisons of underlying predictions of ionic and electronic structure. The results of this workshop help to identify plasma conditions where computationally inexpensive approaches are accurate, where computationally expensive models are required, and where experimental measurements will have high impact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

GPU acceleration of hybrid functional calculations in the SPARC electronic structure code

We present a Graphics Processing Unit (GPU)-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn–Sham density functional theory. In particular, we develop a batch variant of the recently formulated Kronecker product-based linear solver for the simultaneous solution of multiple linear systems. We then develop a modular, math kernel based implementation for hybrid functionals on NVIDIA architectures, where computationally intensive operations are offloaded to the GPUs, while the remaining workload is handled by the central processing units (CPUs). Considering bulk and slab examples, we demonstrate that GPUs enable up to 8× speedup in node-hours and 80× in core-hours compared to CPU-only execution, reducing the time to solution on V100 GPUs to around 300 s for a metallic system with over 6000 electrons, and significantly reducing the computational resources required for a given wall time.

Kohn-Sham density functional theory↗

Continuous Integration, In-Code Documentation, and Automation for Nuclear Quality Assurance Conformance

The Multiphysics Object Oriented Simulation Environment (MOOSE) is an open-source, finite element framework for solving highly coupled sets of nonlinear equations. The development of the framework and applications occurs concurrently using an agile, continuous-integration software package. Included in the framework is an in-code, extensible documentation system. Using these two tools in union with the repository management tools GitHub and GitLab, a software quality plan was created and followed such that MOOSE and a MOOSE-based application (BISON) have been shown to meet the American Society of Mechanical Engineers’ Nuclear Quality Assurance-1 standard. The approach relies heavily on automation for both testing and documentation. The resulting effort demonstrates that a rigorous software quality plan may be implemented that incurs a minimal impact on day-to-day development of the software, satisfying the stringent guidelines necessary to operate the software in a safety function within a nuclear facility.

97 MATHEMATICS AND COMPUTING↗

Advanced Multiphysics Code Coupling for Cladding Surface Thermocouples During Two-Phase Heat Transfer from Nuclear Fuel

Transient testing of nuclear fuel involves the evaluation of fuel performance under off-normal and accident conditions and is essential for proving design performance. Instrumentation included in such experiments commonly includes thermocouples attached to the outer surface of the cladding to provide temperature measurements throughout the transient. However, the presence of thermocouples on the cladding surface can alter the local heat transfer characteristics with the surrounding coolant. These localized effects can influence the temperature of the nearby cladding surface and introduce uncertainties in interpreting the thermocouple data. Understanding the impact of thermocouples attached to the outer surface of the cladding is crucial for accurate data interpretation as well as its effect on the thermomechanical behavior of the cladding. This paper presents a novel methodology for simulating the impact of outer cladding thermocouples during transient testing of nuclear fuels. The simulation framework leverages the thermal-hydraulic capabilities of RELAP5-3D coupled to the BISON fuel performance code through the RELAPCouplingApp interface. The methodology is compared against Accident Tolerant Fuel Reactivity Initiated Accident-1-E experiment performed at Idaho National Laboratory. The results reveal approximately 100°C difference between thermocouple-altered temperature and virgin cladding surface. The model overpredicts surface rewet time due to conservative correlations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated Hybrid Variance Reduction on Advanced Architectures in the Shift Monte Carlo Code

Monte Carlo transport methods are the most accurate schemes for solving problems with complex energy and spatial features, but they come with a high computational cost. Although hybrid methods have enabled the use of Monte Carlo transport for a large class of problems, they still require significant computing resources. Modern multicore CPUs with large numbers of compute cores and graphical processing units (GPUs) provide opportunities to optimize the memory and run-time costs of hybrid Monte Carlo methods. This paper documents the development and analysis of three Monte Carlo transport algorithms that support hybrid transport using the consistent adjoint-driven importance sampling (CADIS) and forward-weighted CADIS methods in the Shift Monte Carlo code: history-based transport using static and dynamic threading on multicore CPUs and event-based transport enabling weight window tracking on GPUs. The results are shown for two challenging hybrid problems on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility. The results show that all three methods yield good performance and enable solutions of difficult fixed-source transport problems in less than 2 min on 20 nodes of Frontier. Dynamic threading was observed to give up to 20% better scaling behavior than static threading. Moreover, the AMD Instinct 250X GPU was found to give 9 to 11 times greater throughput per graphics compute die than the best CPU performance. In conclusion, additional opportunities for optimization of hybrid transport on GPUs are discussed.

Denovo↗

A Standardized Analysis Process Using Digital Image Correlation to Calculate In Situ Cladding Strain from Modified Burst Tests for Fuel Performance Code Validation

Historical data collection on nuclear fuel cladding materials has focused on generating a statistically significant amount of data to assess the material and its failure behavior. Furthermore, data generated to support material model and failure criteria development were previously posttest evaluations, so a large number of tests was required to gain new understanding. A way to expedite this process is to develop techniques capable of generating large, high-fidelity data sets from a single test with lower uncertainty or quantified uncertainty. One such example of this approach is Oak Ridge National Laboratory’s use of modified burst tests (MBTs) to analyze the mechanical behavior and failure conditions of cladding during a simulated reactivity-initiated accident (RIA). Each test incorporates digital image correlation (DIC) analysis techniques that are used to assess the accumulated strain in situ, as well as eventual cladding failure. This work has been fruitful in defining strain-to-failure conditions for materials like silicon carbide (SiC) fiber–reinforced/SiC matrix composite tubes (SiC/SiC), iron-chromium-aluminum (FeCrAl) alloy tubes, and chromium-coated Zircaloy-4 tubes. However, there are numerous DIC software available, including open-source and proprietary software. The different DIC software use various algorithms to process images and calculate displacement values. Using these different software and algorithms can lead to varying results, and perhaps larger-than-expected uncertainties. In the present study, previously published MBT data encompassing a variety of test conditions were reanalyzed with two different DIC software to assess the variance in the calculated strain results. The data consisted of SiC/SiC, FeCrAl, and chromium-coated Zircaloy-4 tubes. Plots of the calculated strains during the transient revealed good agreement between the two DIC software. The average root-mean-square errors between the two software was 0.20% strain, which is slightly larger than a previously reported error value for these tests. In conclusion, this variance in results is low enough that this analysis method can be used for code validation.

Reactivity-initiated accident↗

Radiation Shielding Analysis of Linac Extension Area in APS Using FLUKA and PHITS Monte Carlo Radiation Transport Codes

The Linac extension area tunnel can accept 300- to 500-MeV electrons for experiments. Radiations from various normal and accident beam loss scenarios were analyzed with the FLUKA and PHITS Monte Carlo radiation transport codes. In normal beam loss scenarios, the beam was dumped on the horizontal and vertical beam dumps, while the accident scenarios were horizontal and vertical mis-steered beams that can occur due to incorrect beam energy and magnet settings. The extent of beam deviation, which was established using particle tracking studies, was used to define the beam directions in the Monte Carlo transport calculations. Further, a mis-steered condition, where the beam was not intercepted by the dumps, was also analyzed. For the horizontal dump, the PHITS results above the berm were higher for neutrons and somewhat lower for photons, compared to the FLUKA results. Comparison of the secondary particle yields from FLUKA and PHITS from an Al block with dimensions comparable to what was used in the beam dumps showed a 40% higher neutron yield and a 10% lower photon yield. Finally, to ensure compliance with Argonne National Laboratory's shielding policy, the design of the horizontal beam dump was modified, and additional shielding was recommended.

FLUKA↗

Roadmap on electronic structure codes in the exascale era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing.

36 MATERIALS SCIENCE↗

Expanded capabilities of the CarMa code in modeling resistive wall mode dynamics with 3-D conductors

In this work, an improved version of the CarMa code is presented, called CarMa-D, for the analysis of resistive wall modes (RWMs) in fusion devices, simultaneously considering the effects of volumetric three-dimensional conducting structures, plasma dynamics, toroidal rotation or drift-kinetic damping. Unlike static CarMa, CarMa-D does not rely on the simplifying assumptions such as neglecting the plasma mass, toroidal rotation and kinetic damping. The new coupling strategy is based on matrix-based Padé rational functions approximation of plasma a response. The arising mathematical model is formally equivalent to the original CarMa model, but with a higher number of degrees of freedom to model the dynamics of the plasma. CarMa-D overcomes the main limitations of the original CarMa, in particular: (i) the massless assumption for the plasma is removed, allowing modeling of global modes growing both on ideal kink time scales and in the typical RWM growth rate regime, with a suitable treatment of the model; (ii) the effects of toroidal plasma flow and drift kinetic damping can be included into the new model, providing a powerful tool to study macroscopic phenomena where both plasma dynamics and 3-D conducting structures play important roles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Free-boundary MRxMHD equilibrium calculations using the stepped-pressure equilibrium code

Here the stepped-pressure equilibrium code (SPEC) (Hudson et al 2012 Phys. Plasmas 19 , 112 502) is extended to enable free-boundary multi-region relaxed magnetohydrodynamic (MRxMHD) equilibrium calculations. The vacuum field surrounding the plasma inside an arbitrary 'computational boundary', , is computed, and the virtual-casing principle is used iteratively to compute the normal field on so that the equilibrium is consistent with an externally produced magnetic field. Recent modifications to SPEC are described, such as the use of Chebyshev polynomials to describe the radial dependence of the magnetic vector potential, and a variety of free-boundary verification calculations are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical-heating effects in atmospheric pressure streamer discharges simulated with a PIC code

Artificial heating in plasma simulations is a well-known phenomenon which occurs when, among other things, the Debye length is poorly resolved by the simulation mesh. Here, in this work, the degree to which numerical-heating occurs during a simulation of a nanosecond atmospheric pressure streamer discharge is examined. The streamer is simulated using a two-dimensional finite-element, particle-in-cell code Empire, which uses direct simulation Monte Carlo for binary particle interactions. Initially, an estimate of the numerical-heating rate applied to Empire is performed using a simple plasma model. Second, a positive atmospheric pressure streamer discharge simulation is performed to study the effects of numerical heating on plasma density, electron temperature, and streamer velocity. The nominal Debye length is approximately 1 μm and the amount of numerical heating introduced in the simulation is varied by using mesh sizes ranging from 2 μm to 20 μm. A measurable numerical heating quantity is proposed that can be used to estimate the appropriate element size and quantify the numerical-heating that can be expected over the simulation time for an atmospheric pressure streamer. In conclusion while Δx/λ D violations can be an issue it is not likely to be an issue with streamer discharges that are temporally short and occur in environments where collision frequencies are high. This result validates the rationale of grid size choices for a large amount of previously published works where Δx/λ D violation was not clearly addressed. Primary finding of this work is that numerical heating is of minor concern for plasma simulations where electron–neutral collisions are numerous such that multiple collisions can occur within a single plasma period.

Nikic, Dejan [University of New Mexico, Albuquerqu↗

Limits on wCDM from the EFTofLSS with the PyBird code

We apply the Effective Field Theory of Large-Scale Structure to analyze the wCDM cosmological model. By using the full shape of the power spectrum and the BAO post-reconstruction measurements from BOSS, the Supernovae from Pantheon, and a prior from BBN, we set the competitive CMB-independent limit $w=-1.046_{-0.052}^{+0.055}$ at 68% C.L. After adding the Planck CMB data, we find $w=-1.023_{-0.030}^{+0.033}$ at 68% C.L. Our results are obtained using PyBird, a new, fast Python-based code which we make publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

Antiproton bounds on dark matter annihilation from a combined analysis using the DRAGON2 code

Abstract Early studies of the AMS-02 antiproton ratio identified a possible excess over the expected astrophysical background that could be fit by the annihilation of a weakly interacting massive particle (WIMP). However, recent efforts have shown that uncertainties in cosmic-ray propagation, the antiproton production cross-section, and correlated systematic uncertainties in the AMS-02 data, may combine to decrease or eliminate the significance of this feature. We produce an advanced analysis using the DRAGON2 code which, for the first time, simultaneously fits the antiproton ratio along with multiple secondary cosmic-ray flux measurements to constrain astrophysical and nuclear uncertainties. Compared to previous work, our analysis benefits from a combination of: (1) recently released AMS-02 antiproton data, (2) updated nuclear fragmentation cross-section fits, (3) a rigorous Bayesian parameter space scan that constrains cosmic-ray propagation parameters.We find no statistically significant preference for a dark matter signal and set strong constraints on WIMP annihilation tobb̅, ruling out annihilation at the thermal cross-section for dark matter masses below ∼ 200 GeV. We do find a positive residual that is consistent with previous work, and can be explained by a ∼ 70 GeV WIMP annihilating below the thermal cross-section. However, our default analysis finds this excess to have a local significance of only 2.8σ, which is decreased to 1.8σwhen the look-elsewhere effect is taken into account.

Astronomy & Astrophysics↗

Simulation of the SPARC plasma boundary with the UEDGE code

Here in this work, the UEDGE edge transport code is used to examine conditions in the SPARC divertor and edge plasma for various levels of carbon impurity and power from the core (P SOL ). A double-null magnetic configuration is simulated assuming up-down symmetry in geometry and physics. The anomalous heat and particle transport coefficients are tuned to match empirical predictions for SPARC's midplane density profiles, target plate heat flux profiles, and inner/outer divertor power sharing. Convective transport is included on the low-field side, while on the high-field side the transport is modeled as purely diffusive. Hydrogen neutrals are modeled as a fluid with inertial effects, and a carbon impurity is included using the fixed-fraction model. We find that detachment induced by impurity seeding could significantly reduce the heat flux to the divertor surfaces in the SPARC tokamak. At P SOL = 28 MW (the value predicted for SPARC's full-power H-mode scenario) cases with both divertor legs detached were obtained with a carbon impurity fraction between 0.3%–1.4%, far below Z eff limits for SPARC. When the plasma in the outer leg is detached, the peak heat flux density perpendicular to the target plate is below 1 MW m -2 , electron and ion temperatures are less than 1.5 eV, and momentum detachment is observed. However, the detachment state is found to be sensitive to the side-wall boundary conditions, the level of neutral pumping, and the target plate tilt. Finally, a broadly similar SOLPS simulation of SPARC is used to assess the appropriateness of the simpler impurity and neutral models used in UEDGE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulation of convective transport during frequency chirping of a TAE using the MEGA code

Here, we present a procedure to examine energetic particle phase-space during long range frequency chirping phenomena in tokamak plasmas. To apply the proposed method, we have performed self-consistent simulations using the MEGA code and analyzed the simulation data. We demonstrate a traveling wave in phase-space and that there exist specific slices of phase-space on which the resonant particles lie throughout the wave evolution. For non-linear evolution of an n = 6 toroidicity-induced Alfvén eigenmode (TAE), our results reveal the formation of coherent phase-space structures (holes/clumps) after coarse-graining of the distribution function. These structures cause a convective transport in phase-space which implies a radial drift of the resonant particles. We also demonstrate that the rate of frequency chirping increases with the TAE damping rate. Our observations of the TAE behavior and the corresponding phase-space dynamics are consistent with the Berk–Breizman theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exploring the effect of ELM and code-coupling frequencies on plasma and material modeling of dynamic recycling in divertors

Abstract Integrated modeling of plasma-surface interactions provides a comprehensive and self-consistent description of the system, moving the field closer to developing predictive and design capabilities for plasma facing components. One such workflow, including descriptions for the scrape-off-layer plasma, ion-surface interactions and the sub-surface evolution, was previously used to address steady-state scenarios and has recently been extended to incorporate time-dependence and two-way information flow. The new model can address dynamic recycling in transient scenarios, such as the application presented in this paper: the evolution of W samples pre-damaged by helium and exposed to ELMy H-mode plasmas in the DIII-D DiMES. A first set of simulations explored the effect of ELM frequency. This study was discussed in detail in this conference’s proceedings and is summarized here. The 2nd set of simulations, which is the focus of this paper, explores the effect of code-coupling frequency. These simulations include initial SOLPS solutions converged to the inter-ELM state, ion impact energy ( E in ) and angles ( A in ) calculated by hPIC2, and an improved heat transfer description in Xolotl. The model predicts increases in particle fluxes and decreases in heat fluxes by 10%–20% with the coupling time-step. Compared with the first set of simulations, the less shallow impact angle leads to smaller reflection rates and significant D implantation. The higher fraction of implanted flux (and deeper), in particular during ELMs, increases the accumulated D content in the W near-surface region. Future expansion of the workflow includes coupling to hPIC2 and GITR to ensure accurate descriptions of E in and A in , and W impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Validation of the ERO2.0 code using W7-X and JET experiments and predictions for ITER operation

Abstract The paper provides an overview of recent modelling of global material erosion and deposition in the fusion devices Wendelstein 7-X (W7-X), JET and ITER using the Monte-Carlo code ERO2.0. For validating the modelling tool in a three-dimensional environment, W7-X simulations are performed to describe carbon erosion from the graphite test divertor units, which were equipped in operational phase OP 1.2 and analysed post-mortem. Synthetic spectroscopy of carbon line emission is compared with experimental results from the divertor spectrometer measurement system, showing a good agreement in the e-folding lengths in the radial intensity profiles of carbon. In the case of metallic wall materials, earlier modelling of the Be/W environment in JET and ITER is revisited and extended with an updated set of sputtering and reflection data, as well as including the mixing model for describing the Be/W dynamics in the divertor. Motivated by recent H/D/T isotope experiments in JET, limited and diverted configuration pulses are modelled, showing the expected trend of both Be and W erosion increasing with isotope mass. For the JET diverted configuration pulses, it is shown that Be migrates predominantly to the upper part of the inner divertor where it initially leads to strong W erosion. With longer exposure time, the growth of a Be deposited layer leads to a reduction of W erosion in that region. A similar trend is observed in simulations of the ITER baseline Q = 10 scenario, however with a more symmetric Be migration pattern leading to deposition also on the outer divertor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Prediction of transport in the JET DTE2 discharges with TGLF and NEO models using the TGYRO transport code

Abstract The JET Deuterium-Tritium-Experiment Campaign 2 (DTE2) has demonstrated the highest-ever fusion energy production. To forecast the transport dynamics within these discharges, the TGLF and NEO models within the TGYRO transport code were employed. A critical development in this study is the new quasilinear transport model, TGLF-SAT2, specifically designed to resolve discrepancies identified in JET deuterium discharges. This model accurately describes the saturated three-dimensional (3D) fluctuation spectrum, aligning closely with a database of nonlinear CGYRO turbulence simulations, thereby enhancing the predictive accuracy of TGYRO simulations. In validating against the JET DTE2 discharges across two primary operating scenarios, TGYRO effectively predicted the temperature profiles within a broad radial window ( ρ ∼ 0.2–0.85), though with minor ion temperature discrepancies near the core. However, a consistent underprediction of electron density profiles by 20% across the simulation domain was noted, indicating areas for future refinement. To achieve a self-consistent steady-state solution based on the JET DTE2 discharges, an integrated modeling workflow TGYRO-STEP within the OMFIT framework was introduced. This workflow iterates among the core transport, the pedestal pressure and the MHD equilibrium, ultimately yielding a converged solution that significantly reduces dependence on experimental boundary conditions for temperature and density profiles. The integrated simulation results show negligible differences in electron density and temperature profiles compared to standalone TGYRO modeling, while the ion temperature profile is lower due to the updated boundary condition in TGYRO-STEP. The application of the TGYRO-STEP workflow to JET DTE2 discharges serves as a crucial test to validate its robustness and highlights its limitations, providing valuable insights for its potential future application in ITER and Fusion Power Plant deuterium and tritium prediction modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗