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DOE OSTI2024

Modeling stimulated Brillouin backscatter from outer-cone quads across multiple inertial confinement fusion hohlraum designs

Stimulated Brillouin scattering (SBS) is a potential risk for laser damage in the experiments carried out at the National Ignition Facility (NIF), and by altering the energy deposition pattern in hohlraums, it affects the symmetry of indirect-drive inertial confinement fusion implosions. We have surveyed backward SBS on outer-cone quads across NIF integrated hohlraums of various platforms numerically, using three-dimensional (3D) simulations with the backscatter code pF3D [Berger et al. Phys. Plasmas 5, 4337 (1998)] and ray-based gain calculations. Simulated reflected powers and energies, as well as the spectrum of reflected light all compare favorably with measurements. Ray-based calculations of exponential SBS amplification (“gain”), which assume a strongly damped plasma wave and steady-state response, are performed using a novel method that includes the 3D speckled field of the laser that drives SBS. This approach is useful for understanding qualitative differences between hohlraum designs and identifying regions susceptible to SBS within hohlraums. Quantitatively, gains are not found to correlate with SBS reflectivities in 3D, necessitating fully wave-based calculations that naturally include diffraction and various temporal dependencies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Benchmark Simulation of the Natural Convection Shutdown Heat Removal Test Facility Using SAM

Natural convection systems are a promising method to passively remove heat from reactor cavities during loss of forced flow accident scenarios. In this work at Argonne National Laboratory (ANL), a highly instrumented Natural Convection Shutdown Heat Removal Test Facility (NSTF) was used to demonstrate the effectiveness of air-cooled natural convection systems. In previous work, RELAP5-3D simulations were performed on this facility with favorable comparisons to experiment for mass flow rate, pressure drop, air temperature increase, and air velocity. Both experimental and simulation efforts with this facility present a useful opportunity to perform a benchmark study with the System Analysis Module (SAM). SAM is an advanced thermal-hydraulic system code currently in development at ANL for advanced non-light water reactor safety analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Learning to predict the cosmological structure formation

Matter evolved under the influence of gravity from minuscule density fluctuations. Nonperturbative structure formed hierarchically over all scales and developed non-Gaussian features in the Universe, known as the cosmic web. To fully understand the structure formation of the Universe is one of the holy grails of modern astrophysics. Astrophysicists survey large volumes of the Universe and use a large ensemble of computer simulations to compare with the observed data to extract the full information of our own Universe. However, to evolve billions of particles over billions of years, even with the simplest physics, is a daunting task. We build a deep neural network, the Deep Density Displacement Model ( D 3 M ), which learns from a set of prerun numerical simulations, to predict the nonlinear large-scale structure of the Universe with the Zel’dovich Approximation (ZA), an analytical approximation based on perturbation theory, as the input. Our extensive analysis demonstrates that D 3 M outperforms the second-order perturbation theory (2LPT), the commonly used fast-approximate simulation method, in predicting cosmic structure in the nonlinear regime. We also show that D 3 M is able to accurately extrapolate far beyond its training data and predict structure formation for significantly different cosmological parameters. Our study proves that deep learning is a practical and accurate alternative to approximate 3D simulations of the gravitational structure formation of the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

A Simulation-Based Dynamic Approach for External Flooding Analysis in Nuclear Power Plants

All nuclear power plants must consider and evaluate external flooding risks such as local intense precipitation, dam failure, and coastal flooding due to storm surge or tsunami. While these events could challenge off-site power and other plant structure integrity, threaten plant safety systems and components, and limit plant access, they are more than often qualitatively regarded as risk insignificant and screened out from detailed evaluation and quantification. The recent lessons learned from the Fukushima seismic/tsunami initiated nuclear accident (2011), the Fort Calhoun (2011), Vermont Yankee (2013), Arkansas Nuclear One (2013), and St. Luice (2014) flooding events showed otherwise. However, developing an external flood model with traditional event tree/fault tree approach as in a static probabilistic risk assessment (PRA) model could be difficult to accurately represent plant system and component behavior and reliability of manual actions during an ever-progressing flood event. The plant response to external flood may be highly spatial- and time- dependent and subject to the hydrological and hydraulic characteristics of the flood event. Such unique challenges prompt the investigation of using the simulation-based dynamic analysis approaches for external flood risk assessment. Simulation methods can better illustrate the performance of structures, systems, and components during an external flooding event. A general framework to perform a simulation-based dynamic flooding analysis is presented in this paper with the sub-tasks of flood hazard analysis, flood fragility analysis, plant response modeling, safety margin analysis or PRA quantification. A new type of State PRA modeling technique is introduced to incorporate time-related interactions such as those from 3D simulations into a traditional PRA model.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators

Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.

Thermal Protection Systems↗

NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators Using Micro and Macro-Scale Modeling

Thermal Protection Systems↗

DOE OSTI2016

Investigation of the effect of resistivity on scrape off layer filaments using three-dimensional simulations

The propagation of filaments in the Scrape Off Layer (SOL) of tokamaks largely determines the plasma profiles in the region. In a conduction limited SOL, parallel temperature gradients are expected, such that the resistance to parallel currents is greater at the target than further upstream. Since the perpendicular motion of an isolated filament is largely determined by balance of currents that flow through it, this may be expected to affect filament transport. 3D simulations have thus been used to study the influence of enhanced parallel resistivity on the dynamics of filaments. Filaments with the smallest perpendicular length scales, which were inertially limited at low resistivity (meaning that polarization rather than parallel currents determines their radial velocities), were unaffected by resistivity. For larger filaments, faster velocities were produced at higher resistivities due to two mechanisms. First parallel currents were reduced and polarization currents were enhanced, meaning that the inertial regime extended to larger filaments, and second, a potential difference formed along the parallel direction so that higher potentials were produced in the region of the filament for the same amount of current to flow into the sheath. These results indicate that broader SOL profiles could be produced at higher resistivities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2014

Advanced Inspection System: Integrating Robotic Configurations & Controls

The Advanced Inspection System (AIS) promotes the ability to perform field inspections and repairs remotely by operator command. The robotic system is required to be a fully autonomous operation, managed by computer execution of scripts with limited user control. AIS is a complex yet intriguing challenge in which various goals must be reached to achieve complete autonomy. The first steps to building such a system require human computer interactions and computer simulations for testing and verification. Such applications include the use of a wireless video game controller via Bluetooth Technology and the use of Leap Motion, a gesture based motion controller which can be used to manipulate robotic arm movements. Utilizing the Robotic Operating System (ROS) environment, these applications, in accordance to developing a 3D simulation of the system, will provide a foundational test bed for AIS development.

Wlodarczyk, Stephan J.↗

DOE OSTI2018

Biermann-Battery-Mediated Magnetic Reconnection in 3D Colliding Plasmas

Recent experiments have demonstrated magnetic reconnection between colliding plasma plumes, where the reconnecting magnetic fields were self-generated in the plasma by the Biermann-battery effect. Using fully kinetic 3D simulations, we show the full evolution of the magnetic fields and plasma in these experiments, including self-consistent magnetic field generation about the expanding plume. The collision of the two plasmas drives the formation of a current sheet, where reconnection occurs in a strongly time- and space-dependent manner, demonstrating a new 3D reconnection mechanism. Specifically, we observe a fast, vertically localized Biermann-mediated reconnection, an inherently 3D process where the temperature profile in the current sheet coupled with the out-of-plane ablation density profile conspires to break inflowing field lines, reconnecting the field downstream. Fast reconnection is sustained by both the Biermann effect and the traceless electron pressure tensor, where the development of plasmoids appears to modulate the contribution of the latter. In conclusion, we present a simple and general formulation to consider the relevance of Biermann-mediated reconnection in general astrophysical scenarios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Marinak, M. M. (ORCID:0009000331127696)↗

NASA NTRS2018

Comparison of Staggered Grid Finite Difference Schemes for Ultrasound Simulation in Curving Composites

The optimization of ultrasonic nondestructive evaluation (NDE) simulation tools for composites has the potential to reduce both individual part inspection time and overall certification time for composite parts and structures. Inspection guidance based on simulation provides increased confidence in the veracity of inspection results in addition to time reductions. This paper outlines ongoing work targeted to advance this objective through the use of finite difference (FD) simulation techniques formulated for composite structures with realistic geometries. Two staggered grid explicit FD schemes which show promise for this purpose are assessed: the Lebedev FD scheme and the rotated staggered grid (RSG) FD scheme. Algorithmic points which provide challenges for complex geometries are addressed, in particular handling of traction free surfaces and bi-material interfaces present at lamina boundaries. Code execution time estimates are performed as well to guide feasible domain sizes relative to algorithm choice and available hardware. Three test cases are simulated: a delaminated plate, a cylinder, and a triclinic lamina. These tests demonstrate that the Lebedev FD scheme needs additional work to handle inter-laminar interfaces and traction free boundaries in the presence of stair-stepping approximations. In contrast, the simple structure of the RSG unit cell makes it more straightforward to construct a 3D simulation technique for curved composite laminates.

Frankforter, Erik↗

DOE OSTI2016

MODELING THE RISE OF FIBRIL MAGNETIC FIELDS IN FULLY CONVECTIVE STARS

Many fully convective stars exhibit a wide variety of surface magnetism, including starspots and chromospheric activity. The manner by which bundles of magnetic field traverse portions of the convection zone to emerge at the stellar surface is not especially well understood. In the solar context, some insight into this process has been gleaned by regarding the magnetism as consisting partly of idealized thin flux tubes (TFTs). Here we present the results of a large set of TFT simulations in a rotating spherical domain of convective flows representative of a 0.3 M {sub ⊙} main-sequence star. This is the first study to investigate how individual flux tubes in such a star might rise under the combined influence of buoyancy, convection, and differential rotation. A time-dependent hydrodynamic convective flow field, taken from separate 3D simulations calculated with the anelastic equations, impacts the flux tube as it rises. Convective motions modulate the shape of the initially buoyant flux ring, promoting localized rising loops. Flux tubes in fully convective stars have a tendency to rise nearly parallel to the rotation axis. However, the presence of strong differential rotation allows some initially low-latitude flux tubes of moderate strength to develop rising loops that emerge in the near-equatorial region. Magnetic pumping suppresses the global rise of the flux tube most efficiently in the deeper interior and at lower latitudes. The results of these simulations aim to provide a link between dynamo-generated magnetic fields, fluid motions, and observations of starspots for fully convective stars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Optimizing the Composite Cathode Microstructure in All‐Solid‐State Batteries by Structure‐Resolved Simulations

Abstract All‐solid‐state batteries are considered as an enabler for applications requiring high energy and power density. However, they still fall short of their theoretical potential due to various limitations. One issue is poor charge transport kinetics resulting from both material inherit limitations and non‐optimized design. Therefore, a better understanding of the relevant properties of the cathode microstructure is necessary to improve cell performance. In this article, we identify optimization potentials of the composite cathode by structure‐resolved electrochemical 3D‐simulations. In our simulation study, we investigate the influence of cathode active material fraction, density, particle size, and active material properties on cell performance. Special focus is set on the impact of grain boundaries on the cathode design. Based on our simulation results, we can predict target values for cell manufacturing and reveal promising optimization strategies for an improved cathode design.

25 ENERGY STORAGE↗

NASA NTRS2023

Reconnection in a Pinch

A recently published analysis of current sheets has updated the classic Harris 1D static solution by considering multiple classes of charged particle trajectories in a generalized and dynamic current sheet. It uses a 1D PIC simulation to describe dynamic pinching and bifurcation of the current sheet. These 1D results strongly suggest that properties of the inflowing plasma, including the plasma beta, have an important effect on the equilibrium thickness of the pinched current sheet. Since 1D studies cannot describe magnetic reconnection, the time appears right to carry such 1D studies over to 2D or 3D simulations to explore current sheet thickness effects on reconnection. The Magnetospheric Multiscale Mission (MMS), with its well-resolved multipoint measurements of collisionless plasma and fields, has found that collisionless reconnection is accompanied by non-adiabatic motions of electrons that only occur in magnetic structures with a narrow scale comparable to electron inertial lengths (d e ). The recent 1D studies suggest that a plasma pinch to such scales may only occur for inflowing magnetized plasmas with relatively low plasma beta. We conclude that a parametric exploration of simulated and observed reconnection inflow conditions, particularly plasma beta, should shed light on the enablement of reconnection in collisionless plasmas.

reconnection↗

DOE OSTI2015

SU-E-T-378: Evaluation of An Analytical Model for the Inter-Seed Attenuation Effect in 103-Pd Multi-Seed Implant Brachytherapy

Purpose: Brachytherapy treatment planning systems based on TG-43 protocol calculate the dose in water and neglects the heterogeneity effect of seeds in multi-seed implant brachytherapy. In this research, the accuracy of a novel analytical model that we propose for the inter-seed attenuation effect (ISA) for 103-Pd seed model is evaluated. Methods: In the analytical model, dose perturbation due to the ISA effect for each seed in an LDR multi-seed implant for 103-Pd is calculated by assuming that the seed of interest is active and the other surrounding seeds are inactive. The cumulative dosimetric effect of all seeds is then summed using the superposition principle. The model is based on pre Monte Carlo (MC) simulated 3D kernels of the dose perturbations caused by the ISA effect. The cumulative ISA effect due to multiple surrounding seeds is obtained by a simple multiplication of the individual ISA effect by each seed, the effect of which is determined by the distance from the seed of interest. This novel algorithm is then compared with full MC water-based simulations (FMCW). Results: The results show that the dose perturbation model we propose is in excellent agreement with the FMCW values for a case with three seeds separated by 1 cm. The average difference of the model and the FMCW simulations was less than 8%±2%. Conclusion: Using the proposed novel analytical ISA effect model, one could expedite the corrections due to the ISA dose perturbation effects during permanent seed 103-Pd brachytherapy planning with minimal increase in time since the model is based on multiplications and superposition. This model can be applied, in principle, to any other brachytherapy seeds. Further work is necessary to validate this model on a more complicated geometry as well.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2024

The Role of Magnetic Reconnection in the Structure and Dynamics of Fast Coronal Mass Ejections

Both observations and models of flare-associated coronal mass ejections (CMEs) suggest that magnetic reconnection in an ejection's wake substantially increases the net, outward Lorentz force accelerating the CME. A stronger outward force can cause a feedback loop, driving further magnetic reconnection in a "reconnective instability." The flux accretion model captures this by relating reconnected flux, ∆ rec , and magnetic field strength, B CME , to increased outward Lorentz force, ∆F r . To better understand reconnection's role in CME dynamics, we analyze two snapshots from a 2.5D, MHD simulation of a breakout eruption. Outward Lorentz forces increase substantially as reconnection proceeds, caused primarily by "flank currents," which flow just inside the boundary of the rising ejection's wake and parallel to its axis. This model's reconnection jet also alters the ejection's internal structure, an effect that could be sought in observations. Analyzing reconnection-induced Lorentz forces in 3D simulations could provide additional insights into CME dynamics.

Magnetic Reconnection↗

DOE OSTI2021

A Hybrid Heavy-Duty Diesel Power System for Off-Road Applications - Concept Definition

A multi-year Power System R&D project was initiated with the objective of developing an off-road hybrid heavy-duty concept diesel engine with front end accessory drive-integrated energy storage. This off-road hybrid engine system is expected to deliver 15-20% reduction in fuel consumption over current Tier 4 Final-based diesel engines and consists of a downsized heavy-duty diesel engine containing advanced combustion technologies, capable of elevated peak cylinder pressures and thermal efficiencies, exhaust waste heat recovery via SuperTurbo™ turbocompounding, and hybrid energy recovery through both mechanical (high speed flywheel) and electrical systems. The first year of this project focused on the definition of the hybrid elements using extensive dynamic system simulation over transient work cycles, with hybrid supervisory controls development focusing on energy recovery and transient load assist, in Caterpillar’s DYNASTY™ software environment. Three key off-road applications were the focus of the hybrid concept definition with an aim of understanding the system’s modular capability for the diverse off-road heavy-duty market. Core engine performance 1D and 3D simulations isolated the efficiency contributions from the downsized engine, turbocompounding, and in-cylinder thermal barrier coatings. A fuel consumption improvement range of 14 to 24% was predicted, resulting in successful project progression to the design and experimental validation phase. Furthermore, an overview of the experimental engine and hybrid system status concludes the discussion along with the multi-year project’s next steps.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2016

Intercomparison of 3D pore-scale flow and solute transport simulation methods

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB), lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).

computational fluid dynamics↗