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At least 1,009 records · Page 56

Accelerated steady-state electrostatic particle-in-cell simulation of Langmuir probes

First-principles particle-in-cell (PIC) simulation is a powerful tool for understanding plasma behavior, but this power often comes at great computational expense. Artificially reducing the ion/electron mass ratio is a time-honored practice to reduce simulation costs. Usually, this is a severe approximation. However, for steady-state collisionless, electrostatic (Vlasov–Poisson) systems, the solution with reduced mass ratio can be scaled to the solution for the real mass ratio, with no approximation. This “scaled mass” method, which works with already-existing PIC codes, can reduce the computation time for a large class of electrostatic PIC simulations by the square root of the mass ratio. The particle distributions of the resulting steady state must be trivially rescaled to yield the true distributions, but the self-consistent electrostatic field is independent of the mass ratio. This method is equivalent to “numerical timestepping,” an approach that evolves electron and ion populations with different time steps. Numerical timestepping can be viewed as a special case of the speed-limited PIC (SLPIC) method, which is not restricted to steady-state phenomena. Although the scaled-mass approach is simplest, numerical timestepping and SLPIC more easily generalize to include other effects, such as collisions. The equivalence of these new approaches is demonstrated by applying them to simulate a cylindrical Langmuir probe in electron–argon plasma, speeding up simulation by two orders of magnitude. Methods such as SLPIC can therefore play an invaluable role in interpreting probe measurements by including geometric effects, collisions, secondary emission, and non-Maxwellian distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Zero-RK Acceleration of Low-Life-cycle Carbon Fuel (LLFC)Simulations

Designing modern combustion systems now relies on computer models that predict how changes in design will affect performance. These models have replaced older methods that relied on the designer’s intuition or costly and time-consuming physical testing. By using improved models, design cycles can be shortened and cleaner and more efficient combustion devices can be created. This project aims to improve computer simulations of low-life-cycle carbon fuels (LLCFs) with the goal of making these simulations faster and more accurate for predicting combustion in vehicles.

02 PETROLEUM↗

Ion Acceleration and the Development of a Power-law Energy Spectrum in Magnetic Reconnection

How charged particles are accelerated efficiently and form a power-law energy spectrum in magnetic reconnection is a problem that is not well understood. In a previous paper, it was shown that the electron Kelvin–Helmholtz instability (EKHI) in force-free magnetic reconnection generates fast-expanding vortices that can accelerate electrons in a few tens of ion gyroperiods (less than 1 ms in the solar corona) to form a power-law energy distribution. In this paper, we present a particle-in-cell (PIC) simulation study of ion acceleration in force-free magnetic reconnection in the presence of the EKHI-induced turbulence. We find that ions are not significantly accelerated by the EKHI-induced stochastic electric field until the magnetic vortices expand to sizes comparable to the ion gyroradius. The Alfvén waves generated by the EKHI couple with the magnetic vortices, leading to resonance between the ions inside the magnetic vortices and Alfvén waves and enhanced ion heating. The induced Alfvén wave resonance results in a broken power-law energy spectrum with a breakpoint at $\sim {m}_{i}{v}_{A}^{2}$, where v A is the Alfvén velocity. Here, we show that the process that forms the nonthermal tail is a second-order Fermi mechanism and the mean spectral index is α = (1 + 4 a 2 D/R) /2, where D is the spatial scale of the inductive electric field, R is that of vortices, and a = B g /B 0 , with ratio of guide field B g and asymptotic B 0 .

79 ASTRONOMY AND ASTROPHYSICS↗

Navier-Stokes simulation of the supersonic combustion flowfield in a ram accelerator

A computational study of the ram accelerator, a ramjet-in-tube device for accelerating projectiles to ultrahigh velocities, is presented. The analysis is performed using a fully implicit TVD scheme that efficiently solves the Reynolds-averaged Navier-Stokes equations and the species continuity equations associated with a finite rate combustion model. Previous analyses of this concept were based on inviscid assumptions. The present results indicate that viscous effects are of primary importance; in all the cases studied, shock-induced combustion always started in the boundary layer. The effects of Mach number, mixture composition, pressure, and turbulence are investigated for various configurations. Two types of combustion processes, one stable and the other unstable, were observed depending on the inflow conditions. In the unstable case, a detonation wave is formed, which propagates upstream and unstarts the ram accelerator. In the stable case, a solution that converges to steady-state is obtained, in which the combustion wave remains stationary with respect to the ram accelerator projectile. The possibility of stabilizing the detonation wave by means of a backward facing step is also investigated. In addition to these studies, two numerical techniques were tested. These two techniques are vector extrapolation to accelerate convergence, and a diagonal formulation that eliminates the expense of inverting large block matrices that arise in chemically reacting flows.

Yungster, Shaye↗

Navier-Stokes simulation of the supersonic combustion flowfield in a ram accelerator

A computational study of the ram accelerator, a ramjet-in-tube device for accelerating projectiles to ultrahigh velocities, is presented. The analysis is performed using a fully implicit TVD scheme that efficiently solves the Reynolds-averaged Navier-Stokes equations and the species continuity equations associated with a finite rate combustion model. The present results indicate that viscous effects are of primary importance in all the cases studied, shock-induced combustion always started in the boundary layer. The effects of Mach number, mixture composition, pressure and tubulence are investigated for various configurations. Two types of combustion processes, one stable and the other unstable, were observed depending on the inflow conditions. The possibility of stabilizing the detonation wave by means of a backward facing step is also investigated. Two numerical techniques were tested: vector extrapolation, to accelerate convergence, and a diagonal formulation that eliminates the expense of inverting large block matrices which arise in chemically reacting flows.

Yungster, Shaye↗

A First-Principles Model Based on Saturation of the Electron Cyclotron Drift Instability for Electron Transport in Hydrodynamics Simulations of Hall Thruster Plasmas

We present a computational model based on the hypothesis that the higher-than-expected electron mobility across magnetic field lines observed in Hall thrusters is due to the growth and eventual saturation of the electron cyclotron drift instability. The key improvement of this model with respect to previous work is that it decouples the saturation of the instability from the correlation that exists between mobility and magnitude of the wave perturbations in linear theory, thereby enabling first-principles simulations. The model has been incorporated in the 2-D (r-z) multi-fluids code Hall2De and simulations of the H6 thruster at 300 V, 20 A are numerically stable and achieve a steady-state solution at a computational cost that is not significantly higher than previous Hall2De simulations. The computed location of the acceleration region is found to be within 10% of the length of the acceleration channel compared to that inferred by experiments. The simulations also capture well the plasma gradients along the channel centerline of this thruster. To further establish the validity of this model, we plan to conduct simulations of other thrusters and/or operating conditions.

Lopez Ortega, Alejandro↗

Simulation of Cascaded Longitudinal-Space-Charge Amplifier at the Fermilab Accelerator Science & Technology (Fast) Facility

Cascaded Longitudinal Space Charge Amplifiers (LSCA) have been proposed as a mechanism to generate density modulation over a board spectral range. The scheme has been recently demonstrated in the optical regime and has confirmed the production of broadband optical radiation. In this paper we investigate, via numerical simulations, the performance of a cascaded LSCA beamline at the Fermilab Accelerator Science & Technology (FAST) facility to produce broadband ultraviolet radiation. Our studies are carried out using elegant with included tree-based grid-less space charge algorithm.

43 PARTICLE ACCELERATORS↗

Impact of electron transport models on capillary discharge plasmas

Magnetohydrodynamics (MHD) can be used to model capillary discharge waveguides in laser-wakefield accelerators. However, the predictive capability of MHD can suffer due to poor microscopic closure models. Here, we study the impact of electron heating and thermal conduction on the capillary waveguide performance as part of an effort to understand and quantify uncertainties in modeling and designing next-generation plasma accelerators. To do so, we perform two-dimensional high-resolution MHD simulations using an argon-filled capillary discharge waveguide with three different electron transport coefficients models. The models tested include (i) Davies et al., (ii) Spitzer, and (iii) Epperlein–Haines (EH). We found that the EH model overestimates the electron temperature inside the channel by over 20% while predicting a lower azimuthal magnetic field. Furthermore, the Spitzer model, often used in MHD simulations for plasma-based accelerators, predicts a significantly higher electron temperature than the other models suggest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SuperNeuro: A Fast and Scalable Simulator for Neuromorphic Computing

In many neuromorphic workflows, simulators play a vital role for important tasks such as training spiking neural networks, running neuroscience simulations, and designing, implementing, and testing neuromorphic algorithms. Currently available simulators cater to either neuroscience workflows (e.g., NEST and Brian2) or deep learning workflows (e.g., BindsNET). Problematically, the neuroscience-based simulators are slow and not very scalable, and the deep learning-based simulators do not support certain functionalities that are typical of neuromorphic workloads (e.g., synaptic delay). In this paper, we address this gap in the literature and present SuperNeuro, which is a fast and scalable simulator for neuromorphic computing capable of both homogeneous and heterogeneous simulations as well as GPU acceleration. We also present preliminary results that compare SuperNeuro to widely used neuromorphic simulators such as NEST, Brian2, and BindsNET in terms of computation times. We demonstrate that SuperNeuro can be approximately 10×--300× faster than some of the other simulators for small sparse networks. On large sparse and large dense networks, SuperNeuro can be approximately 2.2×--3.4× faster than the other simulators, respectively.

Date, Prasanna↗

Comparisons of time explicit hybrid kinetic-fluid code Architect for Plasma Wakefield Acceleration with a full PIC code

Architect, a time explicit hybrid code designed to perform quick simulations for electron driven plasma wakefield acceleration, is described. In order to obtain beam quality acceptable for applications, control of the beam-plasma-dynamics is necessary. Particle in Cell (PIC) codes represent the state-of-the-art technique to investigate the underlying physics and possible experimental scenarios; however PIC codes demand the necessity of heavy computational resources. Architect code substantially reduces the need for computational resources by using a hybrid approach: relativistic electron bunches are treated kinetically as in a PIC code and the background plasma as a fluid. Cylindrical symmetry is assumed for the solution of the electromagnetic fields and fluid equations. In this paper both the underlying algorithms as well as a comparison with a fully three dimensional particle in cell code are reported. The comparison highlights the good agreement between the two models up to the weakly non-linear regimes. In highly non-linear regimes the two models only disagree in a localized region, where the plasma electrons expelled by the bunch close up at the end of the first plasma oscillation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Metropolis Monte Carlo method with CUDA enabled Graphic Processing Units

We present a CPU–GPU system for runtime acceleration of large molecular simulations using GPU computation and memory swaps. The memory architecture of the GPU can be used both as container for simulation data stored on the graphics card and as floating-point code target, providing an effective means for the manipulation of atomistic or molecular data on the GPU. To fully take advantage of this mechanism, efficient GPU realizations of algorithms used to perform atomistic and molecular simulations are essential. Our system implements a versatile molecular engine, including inter-molecule interactions and orientational variables for performing the Metropolis Monte Carlo (MMC) algorithm, which is one type of Markov chain Monte Carlo. By combining memory objects with floating-point code fragments we have implemented an MMC parallel engine that entirely avoids the communication time of molecular data at runtime. Our runtime acceleration system is a forerunner of a new class of CPU–GPU algorithms exploiting memory concepts combined with threading for avoiding bus bandwidth and communication. The testbed molecular system used here is a condensed phase system of oligopyrrole chains. A benchmark shows a size scaling speedup of 60 for systems with 210,000 pyrrole monomers. Our implementation can easily be combined with MPI to connect in parallel several CPU–GPU duets. -- Highlights: •We parallelize the Metropolis Monte Carlo (MMC) algorithm on one CPU—GPU duet. •The Adaptive Tempering Monte Carlo employs MMC and profits from this CPU—GPU implementation. •Our benchmark shows a size scaling-up speedup of 62 for systems with 225,000 particles. •The testbed involves a polymeric system of oligopyrroles in the condensed phase. •The CPU—GPU parallelization includes dipole—dipole and Mie—Jones classic potentials.

97 MATHEMATICS AND COMPUTING↗

Prioritization of Existing Reactor Materials

The Advanced Materials and Manufacturing Technologies (AMMT) Program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation, including machine learning and artificial intelligence, will be employed. Although 316H (Fe–[16–18]Cr–[10–14]Ni–[2–3]Mo–[0.04–0.1]C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach because of its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovative, high-performance nuclear components. Argonne National Laboratory (ANL), Idaho National Laboratory (INL), Oak Ridge National Laboratory (ORNL), and Pacific Northwest National Laboratory (PNNL) are collaborating on identifying the most promising alloy candidates relevant for the AMMT Program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Because of the broad range of potential candidate alloys, ORNL and INL focused on nickel-based alloys, and ANL and PNNL mainly evaluated iron-based alloys. PNNL previously published material scorecards reports on several key alloys, and this report provides a broader overview of iron- and nickel-based candidate alloys, expending beyond alloys well-known to the nuclear community.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Preliminary Feasibility of Printing, Microstructure Analysis and Mechanical Performance of a Down Selected Ni Alloy

This report is submitted as completion of a Milestone 3 deliverable under work package ORNL CT-23OR1304051 in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. The AMMT program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation including machine learning and artificial intelligence will be employed. While 316H (Fe-16-18Cr-10-14Ni-2-3Mo-0.04-0.1C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach due its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovate high-performance nuclear components. ANL, INL, ORNL and PNNL are collaborating on identifying the most promising alloy candidates relevant for the AMMT program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Due to the broad range of potential candidate alloys, ORNL and INL focused on Ni-based alloys, while ANL and PNNL mainly evaluated Fe-based alloys. PNNL previously published materials scorecards reports on several key alloys and this report is providing a broader overview of Ni-based candidate alloys, expending beyond alloys well-known to the nuclear community. Of particular interest are alloys that are currently commercially available in powder form due to the growing demand from other industries that have invested heavily in additive manufacturing. Among these alloys, Haynes 282 (Fe-20Cr-20Co-8Mo) was selected due to its superior strength at high temperature compared to the code-qualified alloy 617 (Ni-20-24Cr-10-15Co-8-10Mo). To assess the integration of this new alloy into the AMMT digital manufacturing framework, we performed the rapid optimization of alloy 282 printing parameters on a Renishaw 250 machine, the fabrication of sufficient materials for extensive characterization and mechanical testing both at ORNL and INL, and added the printing data into the digital platform via the Peregrine software. A detailed analysis of the LPBF 718 alloy was also conducted, with creep specimens being tested at 600-650°C and characterized by advanced electron microscopy. The alloy superior mechanical strength and great printability associated with the extensive database that has already been generated highlight the promising potential of LPBF 718 as a candidate alloy for the AMMT program. INL, ANL and PNNL have generated similar reports and all the information will be compiled into a final M2 milestone report to provide the AMMT leadership team with clear recommendations on the down selection of reactor materials, as well as establish a roadmap for the qualification of these selected alloys.

36 MATERIALS SCIENCE↗

Implementation of Acceleration Source Term in FUN3D

Implementation of the acceleration source term in FUN3D is described. The method is evaluated using analytical and idealized test cases in two and three dimensions. It is also compared with results obtained from the moving mesh and six-degree-of-freedom simulations. The method shows promise in simulating the flight of accelerating vehicles as they make their ascent through varying reference conditions.

Nash’at N Ahmad↗