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At least 397 records · Page 22

Kinetic theory of particle-in-cell simulation plasma and the ensemble averaging technique

Abstract We derive the kinetic theory of fluctuations in physically and numerically stable particle-in-cell (PIC) simulations of electrostatic plasmas. The starting point is the single-time correlation at the start of the simulation between the statistical fluctuations of the weighted densities of macroparticle centers in the plasma particle phase-space. The fluctuations are associated with different initial conditions, typically due to the random initial conditions (in velocity space) of the macroparticles/simulation plasma, assigned according to their initial distribution of probability. The single-time correlations at all time steps and in each spatial grid cell are then determined from the Laplace–Fourier transforms of the discretized Klimontovich-like equation for the macroparticles and Maxwell’s equations for the fields, as computed by modern PIC codes. We recover the expressions for the electrostatic field and the plasma particle density fluctuation autocorrelation spectra as well as the kinetic equations describing the average evolution of PIC-simulated plasma particles, first derived by Langdon (1970b Proc. 4th Conf. Numerical Simulation of Plasmas ) using a test macroparticle approach perturbing a discretized Vlasovian plasma and then averaging the obtained physical quantity over the initial macroparticle velocity distribution. We generalize and extend these results to the modern algorithms in PIC codes using arbitrary macroparticle weights. Analytical estimates of statistical fluctuation amplitudes are derived as a function of the plasma simulation parameters, using the central limit theorem in the limit of a large number of macroparticles per cell. The theory is then used to analyze the ensemble averaging technique of PIC simulations where statistical averages are performed over ensembles of PIC simulations, modeling the same plasma physics problem but using different statistical realizations of the initial distribution functions of the macroparticles. This method is illustrated by linear Landau damping uncovering (from noise, which is usually considered numerical) the physical fluctuations driven by a single small amplitude electrostatic wave perturbing a PIC simulation plasma in equilibrium.

fluctuations correlations↗

Unsupervised discovery of nonlinear plasma physics using differentiable kinetic simulations

Plasma supports collective modes and particle–wave interactions that lead to complex behaviour in, for example, inertial fusion energy applications. While plasma can sometimes be modelled as a charged fluid, a kinetic description is often crucial for studying nonlinear effects in the higher-dimensional momentum–position phase space that describes the full complexity of the plasma dynamics. We create a differentiable solver for the three-dimensional partial-differential equation describing the plasma kinetics and introduce a domain-specific objective function. Using this framework, we perform gradient-based optimization of neural networks that provide forcing function parameters to the differentiable solver given a set of initial conditions. We apply this to an inertial-fusion-relevant configuration and find that the optimization process exploits a novel physical effect.

plasma nonlinear phenomena↗

Strongly Anisotropic Thermomechanical Response to Shock Wave Loading in Oriented Samples of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-trinitrobenzene

All-atom molecular dynamics (MD) simulations were used to study shock wave loading in oriented single crystals of the highly anisotropic triclinic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). The crystal structure consists of planar hydrogen-bonded sheets of individually planar TATB molecules that stack into graphitic-like layers. Shocks were studied for seven systematically prepared crystal orientations with limiting cases that correspond to shock propagation exactly perpendicular and exactly parallel to the graphitic-like layers. The simulations were performed for initially defect-free crystals using a reverse-ballistic configuration that generates explicit, supported shocks. Final longitudinal stress components are between ≈8.5 and ≈10.5 GPa for the 1.0 km s –1 impact speed studied. Orientation-dependent properties are reported including shock speeds, stresses, temperatures, compression ratios, and local material strain rates. Spatiotemporal maps of the temperature, stress tensor, material flow, and molecular orientations reveal complicated processes that arise for specific shock directions. Furthermore, the results indicate that TATB shock response is highly sensitive to crystal orientation, with significant qualitative differences for the time evolution of the stress tensor and temperature, elastic/inelastic compression response, defect formation and growth, critical von Mises stress, and strain rates during shock rise that span nearly an order of magnitude. A variety of inelastic deformation mechanisms are identified, ranging from crumpling of graphitic-like layers to dislocation-mediated plasticity to intense shear strain localization. To our knowledge, these are the first systematic MD simulations and analysis of explicit shock wave propagation along nontrivial crystal directions in a triclinic molecular crystal.

36 MATERIALS SCIENCE↗

Numerical relativity estimates of the remnant recoil velocity in binary neutron star mergers

We present, for the first time, recoil velocity estimates for binary neutron star mergers using data from numerical relativity simulations. We find that binary neutron star merger remnants can have recoil velocity of the order of a few tens of kilometers per second and as high as 150 kilometers per second in our dataset. These recoils are attained due to equivalent contributions from the anisotropic gravitational wave emission as well as the asymmetric ejection of dynamical matter during the merger. Here, we provide fits for net recoil velocity as well as its ejecta component as a function of the amount of ejected matter, which may be useful when constraints on the ejected matter are obtained through electromagnetic observations. We also estimate the mass and spin of the remnants and find them to be in the range [2.34,3.38]M ⊙ and [0.63, 0.82], respectively, for our dataset.

79 ASTRONOMY AND ASTROPHYSICS↗

How Do Climate Model Resolution and Atmospheric Moisture Affect the Simulation of Unprecedented Extreme Events Like the 2021 Western North American Heat Wave?

Abstract Although the 2021 Western North America (WNA) heat wave was predicted by weather forecast models, questions remain about whether such strong events can be simulated by global climate models (GCMs) at different model resolutions. Here, we analyze sets of GCM simulations including historical and future periods to check for the occurrence of similar events. High‐ and low‐resolution simulations both encounter challenges in reproducing events as extreme as the observed one, particularly under the present climate. Relatively stronger amplitudes are observed during the future periods. Furthermore, high‐ and low‐resolution short initialized GCM simulations are both able to reasonably predict such strong events and their associated high‐pressure ridge over the WNA with a 1 week forecast lead time. Moisture sensitivity experiments further indicate a drier atmospheric moisture condition results in substantially higher near‐surface temperatures in the simulated heat events.

54 ENVIRONMENTAL SCIENCES↗

A Compact Monolithic Electro-Optic Package for Quantum Microwave-to-Optical Transduction

We present a novel quantum transduction package that integrates a macroscopic electro-optic crystal into a compact, monolithic assembly designed for superconducting quantum processors. The device provides an efficient and scalable interface between microwave and optical domains while preserving cryogenic compatibility. We performed full-wave and quantum dynamical simulations to assess the performance of the hybrid system, focusing on the interaction between a transmon-based microwave cavity and the crystal’s and cavity low-frequency microwave mode. The transmon operates both as an ancilla for the QPU and as a nonlinear element enabling four-wave mixing between cavity and electro-optic crystal microwave fields. Our results indicate that this architecture can coherently mediate quantum information transfer from the cavity to the electro-optic mode, offering a promising platform for on-chip quantum transduction within superconducting quantum networks.

Reineri, Alessandro [Fermilab] (ORCID:000000016175↗

A Compact Monolithic Electro-Optic Package for Quantum Microwave-to-Optical Transduction

We present a novel quantum transduction package that integrates a macroscopic electro-optic crystal into a compact, monolithic assembly designed for superconducting quantum processors. The device provides an efficient and scalable interface between microwave and optical domains while preserving cryogenic compatibility. We performed full-wave and quantum dynamical simulations to assess the performance of the hybrid system, focusing on the interaction between a transmon-based microwave cavity and the crystal’s and cavity low-frequency microwave mode. The transmon operates both as an ancilla for the QPU and as a nonlinear element enabling four-wave mixing between cavity and electro-optic crystal microwave fields. Our results indicate that this architecture can coherently mediate quantum information transfer from the cavity to the electro-optic mode, offering a promising platform for on-chip quantum transduction within superconducting quantum networks.

Reineri, Alessandro [Fermilab] (ORCID:000000016175↗

Regional-Scale 3D Ground-Motion Simulations of M w 7 Earthquakes on the Hayward Fault, Northern California Resolving Frequencies 0–10 Hz and Including Site-Response Corrections

Large earthquake ground-motion simulations in 3D Earth models provide constraints on site-specific shaking intensities but have suffered from limited frequency resolution and ignored site response in soft soils. In this work we report new regional-scale 3D simulations for moment magnitude 7.0 scenario earthquakes on the Hayward Fault, northern California with SW4. Simulations resolved significantly broader band frequencies (0–10 Hz) than previous studies and represent the highest resolution simulations for any such earthquake to date. Seismic waves were excited by a kinematic rupture following Graves and Pitarka (2016) and obeyed wave propagation in a 3D Earth model with topography from the U.S. Geological Survey (USGS) assuming a minimum shear wavespeed, VSmin, of 500 m/s. We corrected motions for linear and nonlinear site response for the shear wavespeed, VS, from the USGS 3D model, using a recently developed ground-motion model (GMM) for Fourier amplitude spectra . At soft soil locations subjected to strong shaking, the site-corrected intensities reflect the competing effects of linear amplification by low V S material, reduction of stiffness during nonlinear deformation, and damping of high frequencies. Sites with near-surface V S of 500 m/s or greater require no linear site correction but can experience amplitude reduction due to nonlinear response. Averaged over all sites, we obtained reasonable agreement with empirical ergodic median GMMs currently used for seismic hazard and design ground motions (epsilon less than 1), with marked improvement at soft sedimentary sites. At specific locations, the simulated shaking intensities show systematic differences from the GMMs that reveal path and site effects not captured in these ergodic models. Results suggest how next generation regional-scale earthquake simulations can provide higher spatial and frequency resolution while including effects of soft soils that are commonly ignored in scenario earthquake ground-motion simulations.

58 GEOSCIENCES↗

Implementation and Verification of Cable Bending Stiffness in MoorDyn

The relatively large motions experienced by floating wind turbines and wave energy converters pose a challenge for power cables, whose internal components provide significant bending resistance and are sensitive to deformation. The behavior and associated design considerations of power cables in these highly dynamic applications make coupled analysis relevant for design. Bending stiffness capabilities have recently been added to the lumped-mass mooring dynamics model MoorDyn to enable simulation of dynamic power cables. MoorDyn is a common modeling choice for floating wind energy simulation (often coupled with OpenFAST) and floating wave energy converter simulation (often coupled with WEC-Sim) but the model’s previous line elasticity formulation only considered axial stiffness. To properly capture the dynamics of power cables, a bending stiffness model has been added that approximates cable curvature based on the difference in tangent vectors of adjacent elements. The resulting bending moment is realized by applying forces on adjacent nodes, enabling cable modeling while leaving the underlying lumped-mass formulation unchanged. In this paper, the new bending stiffness implementation is verified in static conditions against analytical solutions and then in a dynamic power cable scenario in comparison with the commercial simulator OrcaFlex. The dynamic scenario uses prescribed motions and includes wave loadings on the cable. Results indicate correct implementation of bending stiffness and show close agreement with OrcaFlex.

50 EE - Wind and Water Power Program - Water (EE-4↗

Approach of a planar detonation to a steady CJ detonation wave

Generating a planar steady detonation wave in a high explosive is important for accurately measuring key parameters such as the CJ detonation state and the reaction-zone width. A detonation wave can be promptly shock initiated in the TATB based explosive PBX 9502 due to a fast hotspot reaction. However, a slow carbon clustering reaction causes the detonation wave to have a slow approach to steady state. Here we study the approach of the reaction zone of a planar detonation to the steady ZND profile of an underdriven detonation wave. For PBX 9502 simulations were run with the SURFplus reactive burn model. For comparison, simulations were also run with the HMX based PBX 9501. The SURF reactive model is used for PBX 9501 since it has only a fast hotspot reaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A hybrid full-wave Markov chain approach to calculating radio-frequency wave scattering from scrape-off layer filaments

The interaction of radio-frequency (RF) waves with edge turbulence modifies the incident wave spectrum, and can significantly affect RF heating and current drive in tokamaks. Previous lower hybrid (LH) scattering models have either used the weak-turbulence approximation, or treated more realistic, filamentary turbulence in the ray tracing limit. In this study, a new model is introduced which retains full-wave effects of RF scattering in filamentary turbulence. First, a Mie-scattering technique models the interaction of an incident wave with a single Gaussian filament. Next, an effective differential scattering width is derived for a statistical ensemble of filaments. Lastly, a Markov chain solves for the transmitted wave spectrum in slab geometry. This model is applied to LH launching for current drive. The resulting wave spectrum is asymmetrically broadened in angular wavenumber space. This asymmetry is not accounted for in previous LH scattering models. The modified wave spectrum is coupled to a ray tracing/Fokker–Planck solver (GENRAY/CQL3D) to study its impact on current drive. The resulting current profile is greatly altered, and there is significant increase in the on-axis current and decrease in the off-axis peaks. This is attributed to a portion of the modified wave spectrum that is strongly dampened on-axis during the first pass.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Heating and acceleration of ions with Kappa distribution functions by low‐frequency Alfvén wave

Abstract Heating and acceleration of ions with Kappa distribution functions (with parameter ) in low‐beta plasmas, by a low‐frequency Alfvén wave, is investigated using test‐particle simulations, yielding interesting new results. As long as the Alfvén wave amplitude is sufficiently large, the computed net heating energy of ions becomes independent of the wave frequency and amplitude, always approaching the same value of . The eventual energy of ions is dictated only by the initial ion energy and the ratio of the magnetic field energy density to the plasma density. The heating effect of the Kappa ions increases with . During the heating process, the ions are picked up by the Alfvén wave and pitch angle scattered, forming a quasi‐isotropic spherical shell velocity distribution. The Kappa ions are accelerated in the parallel direction, reaching a bulk flow speed roughly equal to the local Alfvén speed. Higher ‐value in the initial Kappa distribution leads to faster saturation. The above results may explain certain features of the ion heating and acceleration in the solar wind and corona.

Li, Kehua↗

Ocean Wave Energy Harvester with Oak Ridge Converter

Oceans can provide great potential for the American energy dominance. There is significant potential to utilize marine energy resources. In the United States, the total amount of marine energy available is equivalent to about 57% of the country's total power generation in 2019. Even if a fraction of this technical potential is harnessed, marine energy technologies could play a crucial role in fulfilling the nation's energy requirements. Marine energy resources are spread out geographically, and because more than 50% of the United States' population resides within 50 miles of the coastline, they are well-positioned to power local communities. These resources are also very dependable, making them a viable option for contributing to a consistent, trustworthy energy grid. Due to their predictable daily and seasonal patterns, marine energy resources can be integrated into our energy generation portfolio. On the other hand, ocean environment presents many challenges for cost-effective renewable energy conversion, including optimal control of ocean wave energy. This report presents a novel cost-effective energy conversion technique for ocean wave energy harvesters. The proposed system is simulated by using the Oak Ridge Converter to directly interface ocean wave energy source with the utility grid. The system description and simulation results are presented in detail. The results show that the proposed system is a cost effective and promising technology to reduce the infrastructure cost for ocean wave energy harvesters.

Sutton, Elizabeth [ORNL] (ORCID:0009000078885935)↗

Impact of Numerical Hydrodynamics in Turbulent Mixing Transition Simulations

Underresolved simulations are unavoidable in high Reynolds (Re) and Mach (Ma) number turbulent flow applications at scale. Implicit large-Eddy simulation (ILES) often becomes the effective strategy to capture the dominating effects of convectively driven flow instabilities. We evaluate the impact of three distinct numerical strategies in simulations of transition and turbulence decay with ILES: the Harten–Lax–van Leer (HLL) Riemann solver applying Strang splitting and a Lagrange-plus-Remap formalism to solve the directional sweep—denoted split; the Harten–Lax–Van Leer-Contact (HLLC) Riemann solver using a directionally unsplit strategy and parabolic reconstruction—denoted unsplit; and the HLLC Riemann solver using unsplit and a low-Ma correction (LMC)—denoted unsplit*. Three case studies are considered: (1) a shock tube problem prototyping shock-driven turbulent mixing, (2) the Taylor–Green Vortex (TGV) prototyping transition to turbulence, and, (3) an homogeneous isotropic turbulence (HIT) case, focusing on the impact of discretization on transition and decay from fixed well-characterized initial conditions. Significantly more accurate predictions are provided by the unsplit schemes, in particular, when augmented with the LMC. For given resolution, only the unsplit schemes predict the turbulent mixing transition after reshock observed in the shock tube experiments. Relevant comparisons of ILES based on Euler and Navier–Stokes equations addressing potential occurrence of low-Re regimes in the applications are presented. Unsplit schemes are instrumental in allowing to capture the spatial development of the TGV flow and its validation at prescribed Re with significantly less resolution. HIT analysis confirms higher simulated turbulence Re and increased small-scale content associated with the unsplit discretizations.

74 ATOMIC AND MOLECULAR PHYSICS↗

CFD Data on a Vertical Axis Wave Turbine

In this study January to July, 2023, different variations of the original geometry of a vertical-axis wave turbine (VAWT) were generated and evaluated for hydrodynamic power efficiency using computational fluid dynamics (CFD). The key geometrical parameters considered in this parametric study included the chord length of the rotor blades and the horizontal semi-axis length. The immersion depth of the rotor was also examined as a key deployment parameter for the wave turbine. The CFD simulation results revealed that a medium chord length of the blade (i.e., the same as that of the baseline design) and a shorter horizontal semi-axis for the guide curve of the blade than that of the baseline design resulted in higher hydrodynamic power to extract. With the most efficient turbine rotor geometry identified in this study, a deployment depth that could assure full submergence of the rotor in waves but as close to the free surface as possible led to a higher hydrodynamic power. These findings revealed a pathway for the improvement of the wave turbine energy efficiency.

16 TIDAL AND WAVE POWER↗

Symplectic neural network and its application to charged particle dynamics in electromagnetic fields

Recently, machine learning models have shown many successes in various applications in science and technology. In this work, we focus on the charged particle dynamics, with the development of a class of symplectic neural networks, including a linear version, SympMat, and a nonlinear version, HénonNet. Both are designed to preserve the structure of Hamiltonian systems. We show that they can be used to model relevant Hamiltonian systems of interest in plasma physics and astrophysics, for linear and nonlinear charged particle dynamics, with the potential to bridge multi-scale simulations. These symplectic neural networks are adapted to the applications in plasma simulations and particle-wave interaction with parametric dependence and periodicity, where we have investigated their performance and accuracy. In particular, SympMat is shown to outperform the traditional Boris particle pusher down to the sub-gyroperiod scale in the case of charged particles in uniform magnetic fields. HénonNet successfully predicts the hot electron distribution, which is validated against theoretical results. These results highlight the potential of symplectic neural networks as a trajectory integrator for particle-in-cell simulations or a fast surrogate to replace conventional numerical schemes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Research on stability and uniformity of multi-wavelength Brillouin-erbium fiber laser based on FWM

In this paper, we experimentally and theoretically investigate the stability and uniformity of multi-wavelength Brillouin-erbium fiber laser based on four-wave mixing (FWM). Multi-wavelength generation is limited by cross-gain saturation between different wavelengths from homogeneous broadening of erbium-doped fiber. Modeling coupled-mode equation for FWM and analyzing the influence of FWM on multi-wavelength generation. 16 orders Brillouin Stokes (BS) waves with a wavelength spacing of 0.084 nm are obtained experimentally within a 3 dB bandwidth by the FWM effect in a 100 m highly nonlinear fiber (HNLF), power distribution of each laser is uniform and peak power fluctuation is less than 1.184 dB within a 10 dB bandwidth, the outputs exhibit good time stability and uniformity. Compared with the same configuration, the laser without HNLF has only 9 orders stable BS waves within 3 dB bandwidth, and high-order Stokes wave shows significant waveform jitter and power fluctuation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling detonation with CartaBlanca simulations

The accurate modeling of high explosive (HE) detonation and the con- sequent large solid deformation, failure, plastic flow, porosity growth, and shock wave propagation is important because simulations can capture spatial and temporal features that experimental diagnostics cannot capture. However, the simulation of the explosive event poses challenges to a computational scientist. These include the accurate modeling of ductile damage, crack formation, plastic deformation, as well as physical and nu- merical instabilities. The material response can be history-dependent and subject to large material deformation. Our research simulates the impact of a high explosive (Detasheet) onto a tantulum metal plate. We performed the simulations using CartaBlanca at different mesh resolutions. We decided the study would be impactful if we perform the simulations with the Material Point Method. Differences were observed at the different mesh resolutions in velocity and nodal stress magnitude, so increased mesh resolutions may be required. In addition, the Discontinuous Galerkin method would be needed to account for the large gas expansion.

97 MATHEMATICS AND COMPUTING↗