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DOE OSTI2023

Advanced Turbulence Models for Large-Scale Atmospheric Boundary Layer Flows

We present high-fidelity large-eddy-simulation (LES) modeling approaches for the turbulent atmospheric boundary layer (ABL) flows. Wind energy is a prime example of an application driven by ABL. Generation of electrical energy from farms of wind turbines at night in the stable ABL is a particularly interesting situation. In this report, we consider the well-known GEWEX (Global Energy and Water Cycle Experiment) Atmospheric Boundary Layer Study (GABLS) stably stratified benchmark LES case. We use a high-order spectral element code Nek5000/RS, which is supported under the DOE's Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms. In our earlier ANL report, we demonstrated our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. In this report, we extend the range of our SGS modeling approaches in the context of the mean-field eddy viscosity (MFEV), to include the solution of an SGS turbulent kinetic energy equation (TKE). We demonstrate the model fidelity of Nek5000/RS in comparison to that of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, with which we studied scaling performance for both codes in comparison on DOE's leadership computing platforms.

17 WIND ENERGY↗

NASA NTRS2017

Computational Study of Combustor-Turbine Interactions

The Open National Combustion Code (OpenNCC) is applied to the simulation of a realisticcombustor configuration (Energy Efficient Engine (E3)) in order to investigate the unsteady flow fields inside the combustor and around the first stage stator of a high pressure turbine (HPT). We consider one-twelfth (24 degrees) of the full annular E3 combustor with three different geometries of the combustor exit: one without the vane, and two others with the vane set at different relative positions in relation to the fuel nozzle (clocking). Although it is common to take the exit flow profiles obtained by separately simulating the combustor and then feed it as the inflow profile when modeling the HPT, our studies show that the unsteady flow fields are influenced by the presence of the vane as well as clocking. More importantly, the characteristics (e.g., distribution and strength) of the high temperature spots (i.e., hot-streaks) appearing on the vane significantly alters. This indicates the importance of simultaneously modeling both the combustor and the HPT to understand the mechanics of the unsteady formulation of hot-streaks.

turbines↗

DOE OSTI2023

Multiscale modeling for high burnup structure formation and associated pulverization

This report summarizes the lower length scale modeling work performed in the fiscal year 2023 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstrutural evolution and associated pulverization criteria in the high burnup regions. This year, the resolution mechanisms within the cluster dynamics code has been updated and it influence on the bubble growth in HBS regions at the mesoscale is studied. To improve the accuracy of phase-field models of fission gas bubble growth, a new Helmholtz free energy for high-density Xe gas is derived from a virial equation of state. Two previously used strategies for representing net vacancy production in phase-field models of fission gas bubble growth are compared with each other and with analytical models of bubble growth. The vacancy source only model is found to be more convenient to parameterize realistically compared with the vacancy source+sink model. Furthermore, the phase-field-fracture simulation have been performed using MD- informed failure stress values and realistic HBS structure obtained from the phase-field simulations. We also present the uncertainty bands on prediction of the critical stress to account for the effect of the lower length scale variabilities on the failure criteria at the mesoscale. It is observed that pulverization may occur in partially restructured regions with restructuring fraction as low as 17%. In light of this, an update to the BISON’s pulverization criteria is recommended.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2003

End-to-End Study of the Transfer of Energy from Magnetosheath Ion Precipitation to the Ionospheric Cusp and Resulting Ion Outflow to the Magnetosphere

We will show results from an end-to-end study of the energy transfer from injected magnetosheath plasmas to the near-Earth magnetospheric and ionospheric plasmas and the resulting ion outflow to the magnetosphere. This study includes modeling of the evolution of the magnetosheath precipitation in the cusp using a kinetic code with a realistic magnetic field configuration. These evolved, highly non-Maxwellian distributions are used as input to a 2D PIC code to analyze the resulting wave generation. The wave analysis is used in the kinetic code as input to the cold ionospheric ions to study the transfer of energy to these ions and their outflow to the magnetosphere. Observations from the Thermal Ion Dynamics Experiment (TIDE) and other instruments on the Polar Spacecraft will be compared to the modeling.

Coffey, Victoria↗

NASA NTRS2017

Computational Study of Combustor-Turbine Interactions

The Open National Combustion Code (OpenNCC) is applied to the simulation of a realisticcombustor configuration [Energy Efficient Engine (E(exp. 3))] in order to investigate the unsteady flow fields inside the combustor and around the first stage stator of a high pressure turbine (HPT). We consider one-twelfth (24 degrees) of the full annular E(exp. 3) combustor with three different geometries of the combustor exit: one without the vane, and two others with the vane set at different relative positions in relation to the fuel nozzle (clocking). Although it is common to take the exit flow profiles obtained by separately simulating the combustor and then feed it as the inflow profile when modeling the HPT, our studies show that the unsteady flow fields are influenced by the presence of the vane as well as clocking. More importantly, the characteristics (e.g., distribution and strength) of the high temperature spots (i.e., hot-streaks) appearing on the vane significantly alters. This indicates the importance of simultaneously modeling both the combustor and the HPT to understand the mechanics of the unsteady formulation of hot-streaks.

turbines↗

NASA NTRSDate not supplied

Numerical Study of Combustor-Turbine Interactions Using Open-National Combustion Code (OpenNCC)

We investigate the flow fields inside the combustor and the high-pressure turbine including the stator and moving rotors, from the Energy Efficient Engine (E3) program. We then compare the fully-coupled simulations results with the prior results from the sequential approach, where key performance metrics for the combustor and HPT are compared. The results will provide one example of the impact of performing fully-coupled combustor/HPT simulations relative to sequential (one-way coupled) combustor and HPT simulations.

CFD↗

NASA NTRS2002

Self-Consistent Magnetosphere-Ionosphere Coupling: Theoretical Studies

A self-consistent ring current (RC) model has been developed that couples electron and ion magnetospheric dynamics with the calculation of the electric field. Two new features were taken into account in order to close the self-consistent magnetosphere- ionosphere coupling loop. First, in addition to the RC ions, we solve an electron kinetic equation in our model. Second, using the relation of Galand and Richmond [2001], we calculate the height integrated ionospheric conductances as a function of the precipitated high energy magnetospheric electrons and ions that are produced by our code. To validate the results of our model we simulate the magnetic storm of May 2, 1986, a storm that has has been comprehensively studied, and compare our results with different theoretical approaches. The self-consistent inclusion of the hot electrons and, their effect on the conductance results in deeper penetration of the magnetospheric electric field. In addition, a slight westward rotation of the potential pattern (compared to previous self-consistent results) is evident in the inner magnetosphere. This changes the hot plasma distribution, especially by allowing increased access of plasma sheet ions and electrons to low L shells.

Khazanov, G. V.↗

NASA NTRSDate not supplied

Computational Study of Modeling Fully-coupled Combustor-Turbine Interactions by the Open National Combustion Code (OpenNCC)

CFD↗

NASA NTRSDate not supplied

Computational Study of Modeling Fully-coupled Combustor-Turbine Interactions by the Open National Combustion Code (OpenNCC)

CFD↗

NASA NTRS1992

Semi-coupled flow and thermal analysis of the field joint during rapid pressurization of the redesigned solid rocket motor

A transient, semi-coupled, multi-dimensional thermal and flow analysis methodology was developed to predict the thermal/gas dynamic conditions in the field joint region of the Redesigned Solid Rocket Motor (RSRM). Transient temperature response, pressure history, and combustion gas flow rate (within the field joint region), were of principle interest, in the course of this study. The thermal environment in the field joint was modeled using SINDA, a finite difference based thermal network analyzer. The combustion gas flow boundary condition was generated using the FLAP code; this code performs a transient, lumped-parameter, control volume analysis to solve the mass, momentum, and energy conservation equations. The FLAP computer code was modified to account for erosion of the NBR insulation material, following ignition. An independent grid sensitivity study was conducted to determine an appropriate grid distribution near the wall. The predicted results, obtained using an optimum grid distribution and computer generated flow boundary condition, were compared with subscale test data.

Ghaffarian, Benny↗

DOE OSTI2023

Relativistically Induced Transparency in Plasma (Final Research Report)

The major goal of this project was to study the process of relativistic transparency in plasmas. This process occurs when a very high intensity laser pulse interacts with a plasma. The electric field of the laser oscillates the electron speeds approaching the speed of light, increasing the effective mass of the electrons by the time-averaged Lorentz factor <γ>. The increase in the effective mass alters the critical density, the density at which the plasma becomes opaque to the electromagnetic wave of the laser. This project used experiments and particle-in-cell simulations to study this process in ultra-thin foil interactions. Experiments were performed through the LaserNetUS program on the Ohio State University laser system Scarlet. The transmitted and reflected light was studied as a function of the target thickness, the near-field profiles, the total energy and pulse duration were measured. Particle-in-cell simulations, using the OSIRIS code were used to model the interaction and better understand the dynamics. The results of both show current relativistic transparency theory is insufficient to predict the results, this is likely because the theories do not account for the laser energy absorption into the target and global plasma fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2001

Transport of Energetic Ions in the Ring Current During Geomagnetic Storms

In the final year (plus no-cost extentions) of this grant, we have: Used the particle tracing code to perform a systematic study of the expected energy spectra over the full range of local times in the ring current using a variety of electric and magnetic field models. Shown that the Weimer electric field is superior to the Volland-Stern electric field in reproducing the observed energy spectra on the AMPTE CCE spacecraft. Redone our analysis of the pitch angle spectra of energetic ions during storms in the magnetosphere, using a larger data set, and a more reliable classification technique.

Kistler, Lynn M.↗

NASA NTRS1989

Numerical investigation of a plasma beam entering transverse magnetic fields

Two-dimensional electrostatic and electromagnetic particle-in-cell codes are used to investigate plasma beam propagation across transverse magnetic fields. Both large- and small-ion-gyroradius beams are studied in the case of small beam momentum or energy (low drift kinetic beta). Large-ion-gyroradius beams with a large dielectric constant epsilon much greater than (M/m) to the 1/2 (where M/m is the ion-to-electron mass ratio) are found to propagate across the magnetic field via E x B drifts at nearly the initial injection velocity. Beam degradation and undulations are observed, in agreement with previous experimental and analytical results. When epsilon is of order (M/m) to the 1/2 the plasma beam propagates across field lines at only half its initial velocity and loses its coherent structure. When epsilon is much less than (M/m) to the 1/2 the beam particles decouple at the magnetic field boundary, scattering the electrons and deflecting the ions slightly.

Koga, J.↗

DOE OSTI2024

Collaborative Research: Vlasov-Maxwell Simulations to Resolve Electron Heating and Dissipation, in Quasi-Perpendicular Shocks (Final Report)

Collisionless shocks are a grand challenge problem in plasma physics and have been the subject of study for more than six decades. Shocks are ubiquitous phenomena in the universe and are responsible for transforming high energy and momentum flows into thermal energy and energetic particles. Understanding how shocks operate is of primary importance to understand the sun-earth coupling, protecting manned missions and spacecrafts from high energy particles, inertial confinement fusion, and radiation observed from astrophysical plasmas, such as supernova remnants and astrophysical jets. A major unanswered question on this frontier is, how does a collisionless plasma transform flow energy and momentum into electron thermal energy? Many potential mechanisms have been proposed to perform the conversion between flow and thermal energy in a collisionless plasma, but the answer has been elusive. To solve the mystery, non-relativistic perpendicular and quasi-perpendicular shocks are studied via a coordinated approach employing cutting-edge numerical simulations with the continuum kinetic code Gkeyll and spacecraft observations supplied by NASA's Magnetospheric Multiscale (MMS) mission. In both sets of data, we employ novel techniques to identify how and where energy is exchanged between electromagnetic fields and plasma particles. By combining cutting-edge spacecraft data and numerical simulations with these diagnostics, we have been able to identify some of the primary mechanisms responsible electron heating and dissipation in heliospheric shocks. In addition to electron dynamics, we have complete access to proton simulation and in situ data, enabling us to characterize proton heating and acceleration in quasi-perpendicular shocks. Many astrophysical quasi-perpendicular shocks have similar parameters to those in this study, including supernova remnants and shocks in galaxy clusters. Additionally, the simulation code, Gkeyll, and associated analysis scripts are openly available for community use. This award has supported a collaborative effort between Princeton University, the University of Arizona - Tucson, and the University of Maryland - College Park. The award funded three early career scientists, including the funding and training of one female postdoctoral researcher, who was involved in all aspects of the MMS data analysis and some portions of the simulation analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

The FLUKA code: Overview and new developments

The FLUKA Monte Carlo Radiation Transport and Interaction code package is widely used to simulate the interaction of particles with matter in a variety of fields, including high energy physics, space radiation, medical applications, radiation protection and shielding assessments, accelerator studies, astrophysical studies and well logging. This paper gives a brief overview of the FLUKA program and describes recent developments, in particular, improvements in the modelling of particle interactions and transport are described in detail. In addition, an overview of selected applications is given.

Ballarini, Francesca↗

NASA NTRS2022

Preferential Acceleration of Heavy Ions in a Spontaneously Fragmenting Flare Current Sheet

We study the ion acceleration in a mesoscale, spontaneously fragmenting flare current sheet (SFCS) characterized by the presence of a plasmoid cascade. The main subject of our investigation is to determine whether and how plasmoid cascades at intermediate scales in a fragmented current sheet of a solar flare can impact the (preferential) acceleration of specific ions. The time evolution of the SFCS is obtained from high-resolution 2.5D MHD simulations. The ion trajectories (in the background fields resulting from the MHD model), energies, and pitch angles are calculated using a relativistic test-particle code based on the half-acceleration–rotation–half-acceleration method. For light ions, the main acceleration effects of electromagnetic fields within the SFCS are analyzed using the guiding center approximation. We identify regions with the most-efficient ion acceleration within the SFCS, the accelerator efficiency, and spectra of the accelerated ions. The influence of the charge-to-mass ratio on ion behavior is also studied and resulting ion abundances are compared with observational data. The main ion acceleration takes place in the regions with a strong polarization term, which is part of the first-order Fermi acceleration. Because the term is mass dependent, heavier ions undergo preferential acceleration. The ion energy spectra, abundance-enhancement factors, and differential fluxes, obtained from the model, exhibit power-law profiles, in agreement with observed solar energetic particle events. Nonetheless, the obtained slopes for the abundance-enhancement factor do not exactly match the observed data. The computed slopes and profiles are not sensitive to changes in the initial plasma temperature.

David Kramoliš↗

DOE OSTI2020

Analytic model of electron transport through and over non-linear barriers

Tunneling barriers are an essential component of electron sources, sensors, detectors, and vacuum nanoelectronics, and a pivotal factor in their performance, but the barriers themselves routinely depart from the analytic models used to model their behavior. Here, a new formalism is developed to analytically and accurately model emission through and over barriers associated with depletion layers, nanotip barriers, and MIM structures. The transmission probability for depletion layer and metal-insulator-metal (MIM) and metaloxide-semiconductor (MOS) barriers is accurately modeled as the electron energy exceeds the barrier height using approaches designed for rapid implementation demanded by simulation codes, and extensible to general barriers. The models supersede conventional thermal and field models in depletion and MIM/MOS barrier studies. Thermal-field methods are used to treat the transmission probability, and shape factor methods to treat the tunneling factor. Analytic formulae for current density are obtained. The methods ease device simulation and characterization of current-voltage relations for emerging technologically interesting barriers with better accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1994

Measurements of trapped protons and cosmic rays from recent shuttle flights

We have flown two new charged particle detectors in five recent Shuttle flights. In this paper we report on the dose rate, equivalent dose rate, and radiation quality factor for trapped protons and cosmic radiation separately. A comparison of the integral Linear Energy Transfer (LET) spectra with recent transport code calculations show significant disagreement. Using the calculated dose rate from the omni-directional AP8MAX model with IGRF reference magnetic field epoch 1970, and observed dose rate as a function of (averaged over all geographic latitude) and longitude, we have determined the westward drift of the South Atlantic anomaly. We have also studied the east-west effect, and observed a 'second' radiation belt. A comparison of the galactic cosmic radiation lineal energy transfer spectra with model calculations shows disagreement comparable to those of the trapped protons.

Badhwar, G. D.↗