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At least 1,279 records · Page 71

Modeling ablator grain structure impacts in ICF implosions

High-density carbon is a leading ablator material for inertial confinement fusion (ICF). This and some other ablator materials have grain structure which is believed to introduce very small-scale (~nm) density inhomogeneity. In principle, such inhomogeneity can affect key ICF metrics like fuel compression and yield, by, for example, acting as a seed for instabilities and inducing mix between ablator and fuel. However, assessments of such effects are uncertain due to the difficulty of modeling this small-scale structure in ICF simulations, typically requiring reduced-resolution modeling that scales these features. We present a grain model and show both the impact of de-resolving grains and the complex mixing dynamics such structures can induce. We find that different methods for de-resolving grains can yield both different total deposition of kinetic energy perturbations and different fuel–ablator mixing. We then show a simple-to-implement approach for approximately conserving the deposition of perturbed kinetic energy and demonstrate that, for the present grain model and test cases, this approach yields a reasonably matched time history of mix width between less and more resolved grain models. The simulations here also demonstrate the complex interaction history between grain-induced mixing and instability around the fuel–ablator interface, showing, for example, that the grain-induced perturbations typically trigger instability of conduction-driven density gradients in the DT fuel, enhancing mix penetration early in the acceleration of the shell. Furthermore simulating both microscale and nanoscale grains, we find initial evidence for larger mixing in the microscale case of the present model, despite smaller deposited kinetic energy perturbation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

3.0 - MOOSE: Enabling massively parallel multiphysics simulations

The development of MOOSE has kept accelerating since the last release, with over 2,100 pull requests merged over the last 30 months that involved nearly fifty contributors across close to a dozen institutions internationally. The growth in MOOSE's capabilities and downstream applications is reflected in the growth of the community. User support provided on the GitHub discussions forum has steadily increased to nearly 50 daily interactions. New simulation projects, notably to model advanced nuclear reactor and fusion devices, are driving a significant expansion of the capabilities. This paper reports on these developments, with several major released features, new physics modules, and key improvements to the user experience and simulation workflow.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Spheromaks and how plasmas may explain the ultra high energy cosmic ray mystery

In recent papers, we show how accretion disks around massive black holes could act as dynamos producing magnetic jets similar to the jets that create spheromaks in the laboratory. In this paper, we discuss how these magnetic astrophysical jets might naturally produce runaway ion beams accelerated to $10^{20}$ eV or more, finally ejected as ultra high energy cosmic rays (UHECRs) long regarded as one of the mysteries of astrophysics. The acceleration is mainly due to the drift cyclotron loss cone kinetic instability known from plasma research. Finally, experiments and simulations are suggested to verify the acceleration process.

79 ASTRONOMY AND ASTROPHYSICS↗

Necessary Experimental Conditions for Single-Shot Diffraction Imaging of DNA-Based Structures with X-ray Free-Electron Lasers

It has been proposed that the radiation damage to biological particles and soft condensed matter can be overcome by ultrafast and ultraintense X-ray free-electron lasers (FELs) with short pulse durations. The successful demonstration of the “diffraction-before-destruction” concept has made single-shot diffraction imaging a promising tool to achieve high resolutions under the native states of samples. However, the resolution is still limited because of the low signal-to-noise ratio, especially for biological specimens such as cells, viruses, and macromolecular particles. Here, we present a demonstration single-shot diffraction imaging experiment of DNA-based structures at SPring-8 Angstrom Compact Free Electron Laser (SACLA), Japan. Through quantitative analysis of the reconstructed images, the scattering abilities of gold and DNA were demonstrated. Suggestions for extracting valid DNA signals from noisy diffraction patterns were also explained and outlined. To sketch out the necessary experimental conditions for the 3D imaging of DNA origami or DNA macromolecular particles, we carried out numerical simulations with practical detector noise and experimental geometry using the Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory, USA. In conclusion, the simulated results demonstrate that it is possible to capture images of DNA-based structures at high resolutions with the technique development of current and next-generation X-ray FEL facilities.

59 BASIC BIOLOGICAL SCIENCES↗

Evidence of electron microbunching in laser-driven modulated downramp injection and prospects for beam-driven implementation

Plasma accelerators can generate high-energy, high-brightness electron beams over centimeter-scale distances, offering novel pathways to compact x-ray free-electron lasers. Generating beams pre-bunched at the desired radiation wavelength would significantly enhance longitudinal coherence and reduce saturation length. Plasma density-modulated downramp injection offers an in-situ way to generate such beams with nanometer-scale bunching. Here we report the first experimental evidence of this mechanism in a laser-driven wakefield accelerator, showing that modulated density downramps generate modulated electron energy spectra absent in unmodulated cases. Particle-in-cell simulations reproduce these observations and reveal bunching factors of 0.05 at 0.4 μm, with a compression factor of approximately 7. Building on this demonstration, we propose a beam-driven implementation for FACET-II to generate multi-GeV beams pre-bunched at hundreds of nanometers wavelength, with sub-micrometer emittance, kiloampere peak current, and sub-percent slice energy spread. Two-stage magnetic compression enables tunable bunching from optical to extreme ultraviolet wavelengths while achieving peak currents exceeding 100 kA. Coherent transition radiation calculations confirm diagnostic feasibility. This approach offers a promising path towards compact, high-energy pre-bunched electron sources for advanced photon science applications.

electron microbunching↗

Radiation from laser-microplasma-waveguide interactions in the ultra-intense regime

When a high-contrast ultra-relativistic (>10{sup 20} W/cm{sup 2}) laser beam enters a micro-sized plasma waveguide, the pulse energy is coupled into waveguide modes, which significantly modifies the interaction between the electrons and electromagnetic wave. Electrons pulled out from the walls of the waveguide form a dense helical bunch inside the channel and are efficiently accelerated by the transverse magnetic modes to hundreds of MeV. The asymmetry in the transverse electric and magnetic fields drives strong oscillations, which lead to the emission of bright, well-collimated, hard X-rays. In this paper, we present our study on the underlying physics in the aforementioned process using 3D particle-in-cell simulations. The mechanism of electron acceleration and the dependence of radiation properties on different laser plasma parameters are addressed. An analytic model and basic scalings for X-ray emission are also presented by considering the lowest optical modes in the waveguide, which is adequate to describe the basic phenomenon. In addition, the effects of high-order modes as well as laser polarization are also qualitatively discussed. The considered X-ray source has promising features, potentially making it a competitive candidate for a future tabletop synchrotron source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of a Trajectory-Centric CFD-RBD Framework for Advanced Multidisciplinary/Multiphysics Simulation

The desire to model increasingly complex unsteady flow phenomena drives coupling of physics-based disciplinary analysis tools, such as coupled aerodynamics-rigid body dynamics simulations. This paper documents the creation of a framework linking the six-degree-of-freedom trajectory propagator POST2 with NASA’s FUN3D computational fluid dynamics flow solver. Cross-code verification between the framework and a CFD-centric 6DOF code is performed using the Army-Navy Finner projectile experiencing unsteady accelerating flow. Free-flight simulations of an entry vehicle ballistic range test are validated against physical and computational experiments.

Zachary J Ernst↗

Development of a Trajectory-Centric CFD-RBD Framework for Advanced Multidisciplinary/Multiphysics Simulation

The desire to model increasingly complex unsteady flow phenomena drives coupling of physics-based disciplinary analysis tools, such as coupled aerodynamics-rigid body dynamics simulations. This paper documents the creation of a framework linking the six-degree-of-freedom trajectory propagator POST2 with NASA’s FUN3D computational fluid dynamics flow solver. Cross-code verification between the framework and a CFD-centric 6DOF code is performed using the Army-Navy Finner projectile experiencing unsteady accelerating flow. Free-flight simulations of an entry vehicle ballistic range test are validated against physical and computational experiments.

Zachary J Ernst↗

Fluid-Structure Interaction Simulations Of Supersonic Parachute Inflation: Model Sensitivities

Fluid-structure interaction simulations have the potential to accelerate the certification process of parachute systems for interplanetary robotic exploration missions while helping to mitigate risks by covering a wider range of scenarios than can be flight tested. The Launch, Ascent, and Vehicle Aerodynamics team is working toward actualizing this potential by further developing the capability to perform such fluid-structure interaction simulations and validating it with the best supersonic parachute flight test data available. We perform several simulations of the Advanced Supersonic Parachute Inflation Research Experiments’ third flight test (SR03) where we independently vary several parameters to determine their sensitivity on the predicted drag. We investigate sensitivity of the drag to the added mass of the confluence fitting, to the effective porosity, to how the gore seams are modeled, to viscous effects, and to deceleration. Modeling the added mass of the confluence fitting has virtually no impact on the drag, but is worthwhile to include to better match the overall system’s mass, which is important for the simulations with deceleration. Parachute drag is only marginally sensitive to porosity and viscous effects. Maximum parachute drag is most sensitive to how the gore seams are modeled, causing a nearly 20% drop when they are modeled as stiffer radials, and to deceleration, causing an additional 10% reduction. Results show improved agreement with flight test measurements when the FSI model is closest to the as-built configuration and physics experienced in flight: with the confluence fitting, viscous effects, the gore seams modeled as stiff radials, and including deceleration.

ESM↗

Modeling laser-wakefield accelerators using the time-averaged ponderomotive approximation in a Lorentz boosted frame

Future, high-fidelity simulations of multi-GeV-class laser Wakefield accelerators (LWFAs) will need to model the propagation of high-intensity laser drivers over meter-scale plasmas with high spatial and temporal resolutions, thus requiring high amounts of computational resources. Various techniques have been devised over the years to reduce the computational cost of such simulations, including the time-averaged ponderomotive approximation, and the use of the Lorentz boosted frame technique. In this paper we discuss the combination of these two computational techniques, highlighting the resulting significant reduction in the computational cost of LWFA simulations and the limitations of this approach. The combination of the two techniques can potentially become essential for the modeling of a multi-TeV, LWFA-based collider.

Laser Wakefield Acceleration↗

Recent progress on coarse graining simulations

We focus on coarse graining simulations based on the primary conservation equations, effectively codesigned physics and algorithms, and low-Mach-number corrected (LMC) hydrodynamics. Simulation methods involve LANL’s x-Radiation-Adaptive-Grid-Eulerian Large-Eddy Simulation, Besnard-Harlow-Rauenzahn (BHR) Reynolds-Averaged Navier-Stokes (RANS) approach, and Dynamic BHR – a paradigm bridging RANS and LES. A relevant question addressed relates to whether 3D RANS and RANS/LES hybrids – the industry standards for aerospace and automotive research, are presently relevant for practical variable-density applications involving shocked and accelerated interface instabilities. Furthermore, recent simulations of the GaTECH inclined mixing-layer shock-tube and NIF ICF-capsule experiments are used to demonstrate issues, challenges, and potential for 3D coarse grained LMC simulation strategies for robustly simulating complex transitional and coupled hydrodynamics-multiphysics with coarser resolution. Present LES readiness to provide accurate predictions at scale is demonstrated – whereas 3D RANS and RANS/LES bridging do not appear impactful in this context.

42 ENGINEERING↗

Advances in the simulation of space-charge effects

The nonlinear space-charge effects are an important topic in high intensity accelerator beam dynamics and have been extensively studied using macroparticle tracking simulations. Here, we report on recent advances in the simulation of space-charge effects using a symplectic multiparticle space-charge model. The transverse space-charge limit was explored for a periodic focusing and defocusing lattice. The artificial numerical emittance growth in the macroparticle space-charge simulation was analyzed using a one-dimensional model.

47 OTHER INSTRUMENTATION↗

Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules to shortlist lead compounds for antiviral drug development. New opportunities to accelerate drug discovery lie at the interface between machine learning methods, in this case, developed for linear accelerators, and physics-based methods. The two in silico methods, each have their own advantages and limitations which, interestingly, complement each other. Here, we present an innovative infrastructural development that combines both approaches to accelerate drug discovery. The scale of the potential resulting workflow is such that it is dependent on supercomputing to achieve extremely high throughput. We have demonstrated the viability of this workflow for the study of inhibitors for four COVID-19 target proteins and our ability to perform the required large-scale calculations to identify lead antiviral compounds through repurposing on a variety of supercomputers.

97 MATHEMATICS AND COMPUTING↗

Microscopic Processes On Radiation from Accelerated Particles in Relativistic Jets

Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations of relativistic electron-ion (electro-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In the collisionless relativistic shock particle acceleration is due to plasma waves and their associated instabilities (e.g., the Buneman instability, other two-streaming instability, and the Weibel (filamentation) instability) created in the shocks are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The jitter'' radiation from deflected electrons has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.

Nishikawa, K.-I.↗

Supervised paralled-in-time algorithm for long-time Lagrangian simulations of stochastic dynamics: Application to hydrodynamics

Lagrangian particle methods based on detailed atomic and molecular and nanoscale systems. However, the maximum time step is limited by the smallest oscillation period of the fastest atomic motion, rendering long-time simulations very expensive. To resolve this bottleneck, we propose a supervised parallel-in-time algorithm for stochastic dynamics to accelerate long-time Lagrangian particle simulations. Our method is inspired by bottom-up coarse-graining projections that yield mean-field hydrodynamic behavior in the continuum limit.

Multiscale modeling, Lagrangian method, Parallel-i↗

Understanding thermal and mechanical effects on lithium plating in lithium-ion batteries

Lithium plating is one of the main concerns for cell durability, as cyclable lithium and cell capacity are decreased during the process. Thermal and mechanical loads can influence cell behavior, including lithium plating driving forces, as suggested by the Arrhenius equation and the Bruggeman relation, respectively. Hence, a 1D and a 3D model are employed to study the thermal and mechanical effects on lithium plating in a lithium-ion battery with a high areal capacity (4 mAh/cm 2 ). The 1D model assumes uniform mechanical and temperature profile, while the 3D model is capable of capturing the nonuniformity of stress and temperature in the cell. Further, the effects of mechanical deformation and different temperatures on the process of lithium plating are investigated in this study. With the help of the 1D charging simulations, it is observed that lower temperatures increase the risk of lithium plating and the presence of mechanical deformations can accelerate its initiation. Furthermore, 3D charging simulations indicated that folds and boundaries of jellyrolls are more susceptible to lithium plating due to the higher stress concentration and lower temperature, respectively.

25 ENERGY STORAGE↗

Demonstration of MOOSE-based Griffin reactor physics, code for heterogeneous lead-cooled fast reactor analysis

The MOOSE-based reactor physics code Griffin was assessed on a heterogeneous pin-resolved model of a prototype lead-cooled fast reactor assembly. This model was developed in preparation for future use in MOOSE-based multiphysics calculations for computing hot channel factors. Heterogeneous multigroup cross sections were prepared using the fast reactor multi-group cross section processing code MC{sup 2}-3 using a two-step method. Griffin simulations were performed using the DFEM-SN solver on 576 cores on Argonne's LCRC cluster. Diffusion-based acceleration methods were applied (NDA and CMFD). Reference solutions were generated with continuous energy MCNP and the hybrid MOC/finite element solver PROTEUS-MOC for code-to-code comparison. Space-angle convergence studies were conducted to observe convergence in k-eigenvalue and axial pin power distributions. The fully resolved Griffin calculation was within 68 pcm of the MCNP eigenvalue and exhibited max 1.2% relative error in the axial pin power distribution. Griffin produced nearly identical results to PROTEUS-MOC when using the same 9-group multigroup cross-section set. Griffin demonstrated favorable scaling in wall-clock time and memory usage when using diffusion-based acceleration methods. Griffin is capable of simulating the pin-resolved heterogeneous LFR assembly with good accuracy and performance, and is suitable for future use in coupled high-fidelity hot channel factor simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development of a Green Parabolic Trough Collector

This report describes in detail a research project that assesses the potential of a parabolic trough solar collector with a lumber construction to meet ambitious performance, cost, and durability goals. Instead of exploring lumber as a general question for solar collectors, the project focuses on the design optimization, laboratory testing, outdoor testing, and economic modeling of a particular scale of parabolic trough, namely, the 6m aperture and 12m long module that has become the standard in the utility-scale power plant market. As will be appreciated in the report, it is also a scale that matches well the capabilities of lumber as a structural material and the commonly available cross sections. The design and its analysis extend far beyond traditional considerations for wooden structures in the built environment, and includes a computationally efficient coupled structural-optical simulation and the empirical characterization of joint stiffness at small deformations. Laboratory testing is used to characterize cyclic joint behavior, accelerated weathering, and to validate the simulation used as the basis for building a full-scale prototype. The construction and outdoor testing of this prototype is described. A total installed cost model of the collector is presented and the impact of the cost is seen in the context of a full plant techno-economic model. The results of this model in combination with the experience with the first prototype suggest that with improvements to the design and assembly process, this collector type has the potential to lower the levelized cost of heat for industrial solar steam plants used for process heating or cogeneration.

14 SOLAR ENERGY↗