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DOE OSTI2021

Electroconvection near an ion-selective surface with Butler–Volmer kinetics

We study the effects of interfacial kinetics on the electro-hydrodynamics of ion transport near an ion-selective surface using a combination of linear stability analysis and numerical simulation. The finite kinetics of the electrolyte–electrode interface affects the ion transfer and electroconvection in many ways. On a surface of fixed topography, such as a metal surface of slow and stable ion deposition or covered by a polymer membrane, the finite kinetics reduces the current in one-dimensional ion diffusion/migration, increases the critical voltage for the onset of the electroconvective instability, changes the dynamics of the electroconvection and the overlimiting current, and enhances the lateral ion diffusion within the interfacial layer. The first three effects are indirectly caused by the reaction kinetics and can be characterized by an effective voltage difference across the liquid electrolyte. In comparison, the last effect is controlled by a direct interplay between kinetics and nonlinear electroconvection. Scaling laws for ion transport and features of electroconvection are proposed. We also analyse the linear stability of a surface which evolves under ion deposition and find that the finite kinetics decreases the growth rate of both electroconvective and morphological instabilities and therefore modifies the wavenumber of the most unstable mode.

Mechanics↗

DOE OSTI2025

Interpreting dynamic-compression experiments to uncover the time dependence of freezing: Application to gallium

Using pulsed-power magnetic field sources to compress gallium to gigapascal pressures on nanosecond timescales, we report here experiments on shockless dynamic compression of a liquid metal. Time-resolved velocimetry data reveal signatures of rapid freezing from a metastable liquid state, and we demonstrate that the kinetics of this nonequilibrium solidification can be accurately simulated with a computational modeling framework we have developed in previous studies, where classical nucleation theory is coupled with hydrodynamics. Notably, velocity traces in some of our experiments show evidence of a phase transition, while others do not, even though other types of evidence suggest that solidification may be occurring in all of them. We explain how predictions made by our models regarding the presence or absence of these phase-transition signatures motivated additional experiments that later confirmed the theoretical predictions. Our analysis shows that due to the rapid, quasi-isentropic nature of the loading path, our experiments were able to compress liquid gallium to metastable states that are undercooled below the equilibrium melt temperature by more than 300 K and exhibit pressures that approach five times the equilibrium melt pressure. The understanding gained in this study should form the basis for future dynamic-compression experiments aimed at interrogating melt curves at high pressures.

gallium↗

DOE OSTI2020

Collinear dual-pulse laser optical breakdown and energy deposition

A non-equilibrium model for laser-generated plasmas is used to represent collinear dual nano-second-pulse interactions. In the specific case considered, the breakdown is initiated with an ultraviolet (UV) laser pulse at 266 nm, which pre-ionizes the gas, and it is followed by a near-infrared (NIR) pulse at 1064 nm, which deposits significant energy into the ionized mixture. The model is validated against corresponding experiments, and simulation results are interrogated to understand key features of the plasma-kernel dynamics and the post-discharge hydrodynamics. The hydrodynamics of the non-equilibrium plasma is governed by the two-temperature Navier–Stokes equations accounting for both multiphoton ionization and inverse bremsstrahlung. The interaction between the laser beam and the plasma is modeled based on the radiative transfer equation. The temporal and spatial offsets of the two pulses can generate ionization kernels with different topology and dynamics. It is shown that the UV pre-ionization pulse can tailor the plasma region, leading to a larger ionized volume than would occur for a single-pulse breakdown, and it increases the efficiency of the energy deposition for the following NIR discharge. Vorticity in the early post-discharge phase is generated via baroclinic torque from the misalignment of the radial gradient of density (sudden gas expansion) and the strong pressure gradient (initiated by energy deposition from the laser beam). It is predicted that the collinear dual pulse can be designed to specify the plasma kernel size, shape, and maximum temperature in the breakdown phase, and the initial post-breakdown vorticity and plasma-core decay.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

An Assessment of the Influence of Uncertainty in Temporally Evolving Streamflow Forecasts on Riverine Inundation Modeling

Continental-scale river forecasting platforms forecast streamflow at reaches that can be used as boundary conditions to drive a local-scale flood inundation model. Uncertainty accumulated during this process stems not only from any part of the forecasting chain but can also be caused by the daily variations in weather forcing that keeps evolving as the event advances. This work aims to examine the influence of the evolving forecast streamflow on predicting the maximum inundation for extreme floods. A diagnostic case study was made on the basis of a hindcast of Hurricane Matthew striking the eastern U.S. in 2016. The U.S. National Water Model was one-way coupled to a hydrodynamic inundation model through a developed automated workflow. Although the river forcing has significantly mismatched hydrographs versus observations, the simulated peak water surface elevations and maximum extents were validated to be comparable with the observations, which indicates that the inundation model may not be sensitive to the inherited uncertainty from the weather forcing. Moreover, the uncertainty of the forecast streamflow time series caused only one order of magnitude fewer variations in inundation prediction; this dampening effect may become clearer for extreme events with large areas inundated. In addition, the forecast total volume of stream discharge appears to be an important metric for assessing the performance of river forcing for inundation mapping, as a linear correlation between the total volume and the accuracy of the predicted peak water surface elevation and maximum extent was found, with the coefficients of determination all above 0.8. Extra best-practice experience of running similar operational tasks demonstrated the tradeoff between the cost and accuracy gain.

flood, national water model, RIFT↗

NASA NTRS1990

The University of Minnesota oscillating flow experiments

Hot-wire anemometry techniques used to document laminar-to-turbulent transition in oscillating flow are discussed, and two transition mechanisms proposed by Seume (1988) are reviewed. Reliable near-wall data, and the convergence of ensemble-averaged velocities and rms velocity fluctuations will aid in evaluating wall shear stresses and calculating various boundary-layer parameters. Special consideration was given to a detailed measurement program which documents transition at different axial positions for the space power research engine (SPRE) operating point. Future work on the effect of entry geometry and measurements of heat transfer are outlined. In order to better simulate flow conditions in actual Stirling engine heat exchangers, the effects of various inflow geometries are investigated. Once the hydrodynamic conditions in the test section are documented, a measurement program to assess the effect of flow oscillation on heat transfer will commence.

Friedman, G. T.↗

NASA NTRS2011

Radiation from Accelerated Particles in Shocks and Reconnections

Plasma instabilities are responsible not only for the onset and mediation of collisionless shocks but also for the associated acceleration of particles. We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. These magnetic fields contribute to the electrons transverse deflection and, more generally, relativistic acceleration behind the shock. We have calculated, self-consistently, the radiation from electrons accelerated in the turbulent magnetic fields. We found that the synthetic spectra depend on the Lorentz factor of the jet, its thermal temperature and strength of the generated magnetic fields. We are currently investigating the specific case of a jet colliding with an anti-parallel magnetized ambient medium. The properties of the radiation may be important for understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets in general, and supernova remnants.

Nishikawa, K.-I.↗

NASA NTRS2012

Radiation from Accelerated Particles in Shocks and Reconnections

Plasma instabilities are responsible not only for the onset and mediation of collisionless shocks but also for the associated acceleration of particles. We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic-like shock structure. In the leading shock, electron density increases by a factor of about 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. These magnetic fields contribute to the electrons transverse deflection and, more generally, relativistic acceleration behind the shock. We have calculated, self-consistently, the radiation from electrons accelerated in the turbulent magnetic fields. We found that the synthetic spectra depend on the Lorentz factor of the jet, its thermal temperature and strength of the generated magnetic fields. Our initial results of a jet-ambient interaction with anti-parallelmagnetic fields show pile-up of magnetic fields at the colliding shock, which may lead to reconnection and associated particle acceleration. We will investigate the radiation in a transient stage as a possible generation mechanism of precursors of prompt emission. In our simulations we calculate the radiation from electrons in the shock region. The detailed properties of this radiation are important for understanding the complex time evolution and spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.

Nishikawa, K. I.↗

NASA NTRS1993

Dynamics of the baryonic component in hierarchical clustering universes

I present self-consistent 3-D simulations of the formation of virialized systems containing both gas and dark matter in a flat universe. A fully Lagrangian code based on the Smoothed Particle Hydrodynamics technique and a tree data structure has been used to evolve regions of comoving radius 2-3 Mpc. Tidal effects are included by coarse-sampling the density of the outer regions up to a radius approx. 20 Mpc. Initial conditions are set at high redshift (z greater than 7) using a standard Cold Dark Matter perturbation spectrum and a baryon mass fraction of 10 percent (omega(sub b) = 0.1). Simulations in which the gas evolves either adiabatically or radiates energy at a rate determined locally by its cooling function were performed. This allows us to investigate with the same set of simulations the importance of radiative losses in the formation of galaxies and the equilibrium structure of virialized systems where cooling is very inefficient. In the absence of radiative losses, the simulations can be rescaled to the density and radius typical of galaxy clusters. A summary of the main results is presented.

Navarro, Julio↗

DOE OSTI2024

Computational Analysis of Different Sparging Systems and their Influence in the Fluid-Dynamic Behavior of Bubble Column Reactors

Bubble column bioreactors are being actively considered for gas fermentation applications, specifically for CO2 utilization, and sugars to fuels conversion. Their main advantages include good mass transfer without any moving parts and low-cost of operation and maintenance. However, the design and scale-up of such reactors is challenging specifically for carbon capture applications where a mixture of gases (e.g. CO2/CO/H2) with variable solubilities is used. The overall performance of scaled-up bioreactors (e.g., mass transfer rate) is largely affected by gas holdup, bubble size distribution (BSD), and multiphase hydrodynamics. We investigate the effect of gas sparger designs on the performance of these large-scale bioreactors using computational fluid dynamics simulations in this work, so as to improve CO2 conversion at scale. The gas distribution systems in bubble column reactors not only determines operational regime, but also affects the evolution of the BSD, which in turn influences interfacial mass transfer and ultimately the efficiency of the gas-liquid exchange process. In addition to the BSD, uniformity in gas sparging affects gas holdup and bubble residence time which constitute important metrics of performance in gas-liquid systems. In this work, we use computational models to simulate high fidelity representations of different sparger designs and their effect on the operation of a bubble column reactor. Four different types of spargers have been selected for the computational study (Fig. 1): ladder, multi-ring, single-ring and toroidal. Their effect on superficial velocity, gas holdup mixing efficiency, and BSD will be evaluated in this work. The model uses a multiphase Eulerian framework similar to [1] and include a composition of mixtures of H2/CO/CO2 gases, common in fermentation applications.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Single-Scattering Properties of Melting Precipitation for GPM Passive Microwave and Radar Remote Sensing Applications

Over the past two decades, detailed computational simulations of the intricate three dimensional structures of ice-phase crystals and aggregates of those crystals have been developed. The microwave single-scattering properties of these simulated ice particles have been computed and used to improve quantitative estimates of snow rates and to better deRne the vertical structure of snow water contents in deep convective systems, as derived from satellite-borne passive microwave and/or radar remote sensing measurements. The same icephase particles have more recently been used as the starting point for simulations of melting precipitation using computational melting methods. In the current study, a heuristic melting method, as well as a physically-based melting procedure based on smoothed-particle hydrodynamics, are applied to ice particle models to describe the full evolution of the particles from dry snow to liquid drops. The discrete dipole approximation is utilized to calculate the single-scattering properties of the mixed-phase particles throughout the melting process. Then, the properties of the particles are “mapped” into simpliRed microphysical simulations of particle size spectra in the melting layers of stratiform, precipitating clouds. The bulk single-scattering properties of the melting layers and the sensitivity of their properties to modeling assumptions are explored, and the implications for combined radar-radiometer precipitation remote sensing from GPM are discussed.

William S Olson↗

DOE OSTI2024

Performance characterization and modeling of an oscillating surge wave energy converter

Abstract Testing wave energy converters in the ocean could be expensive and complex, which necessitates the use of numerical modeling. However, accurately modeling the response of wave energy converters with high-fidelity simulations can be computationally intensive in the design stage where different configurations must be considered. Reduced-order models based on simplified equations of motion can be very useful in the design, optimization, or control of wave energy converters. Given the complex dynamics of wave energy converters, accurate representation, and evaluation of relative contributions by different forces are required. This effort is concerned with a performance characterization of the hydrodynamic response of an oscillating surge wave energy converter that is based on a reduced-order model. A state-space model is used to represent the radiation damping term. Morison’s representation of unsteady forces is used to account for the nonlinear damping. Wave tank tests are performed to validate simulations. A free response simulation is used to determine the coefficients of the state-space model. Torque-forced simulations are used to identify the coefficients of the nonlinear damping term for different amplitudes and wave frequencies. The impact of varying these coefficients on the response is investigated. An assessment of the capability of the model in predicting the hydrodynamic response under irregular forcing is performed. The results show that the maximum error is 3% when compared with high-fidelity simulations. It is determined that the nonlinear damping is proportional to the torque amplitude and its effects are more pronounced as the amplitude of the flap oscillations increases.

16 TIDAL AND WAVE POWER↗

DOE OSTI2024

Coupled aero-hydro-geotech real-time hybrid simulation of offshore wind turbine monopile structures

Real-time hybrid simulation (RTHS) divides a structural system into an analytical and experimental substructure. The former is based on a well-established analytical model while the latter consists of a physical model in the laboratory, for which there is not a well-established analytical model. This paper extends real-time hybrid simulation to monopile-type Offshore Wind Turbines (OWTs) to enable the investigation of their behavior considering the response of pile foundations under operational and more severe conditions. The embedded foundation and surrounding soil of the OWT are modeled physically in a soil box in the laboratory while the remaining parts of the system and loading are modeled analytically. The program OpenFAST, developed by the National Renewable Energy Laboratory (NREL), is linked to the RTHS coordinator to determine the hydrodynamic and aerodynamic loads acting on the OWT, along with modeling the dynamics of the electric power generation equipment and associated controller for the OWT. The RTHS framework along with its initial implementation and validation are described in this paper. RTHSs of a 5 MW OWT subjected to operational and more severe conditions are performed to experimentally validate the framework. The framework offers a realistic approach to investigate the behavior of OWT structures supported on monopiles. Furthermore, this approach accounts for the coupled response of the OWT structure with its foundation, while experimentally capturing the nonlinearities of the soil-foundation interaction in real-time.

17 WIND ENERGY↗

DOE OSTI2020

Simulation of coupled multiphase flow and geomechanics in porous media with embedded discrete fractures

In fractured natural formations, the equations governing fluid flow and geomechanics are strongly coupled. Hydrodynamical properties depend on the mechanical configuration, and they are therefore difficult to accurately resolve using uncoupled methods. In recent years, significant research has focused on discretization strategies for these coupled systems, particularly in the presence of complicated fracture network geometries. In this work, we explore a finite-volume discretization for the multiphase flow equations coupled with a finite-element scheme for the mechanical equations. Fractures are treated as lower dimensional surfaces embedded in a background grid. Interactions are captured using the embedded discrete fracture model (EDFM) and the embedded finite element method (EFEM) for the flow and the mechanics, respectively. This nonconforming approach significantly alleviates meshing challenges. EDFM considers fractures as lower dimension finite volumes that exchange fluxes with the rock matrix cells. The EFEM method provides, instead, a local enrichment of the finite-element space inside each matrix cell cut by a fracture element. Both the use of piecewise constant and piecewise linear enrichments are investigated. They are also compared to an extended finite element approach. One key advantage of EFEM is the element-based nature of the enrichment, which reduces the geometric complexity of the implementation and leads to linear systems with advantageous properties. Synthetic numerical tests are presented to study the convergence and accuracy of the proposed method. It is also applied to a realistic scenario, involving a heterogeneous reservoir with a complex fracture distribution, to demonstrate its relevance for field applications.

58 GEOSCIENCES↗

DOE OSTI2022

Modeling pre-Exascale AMR Parallel I/O Workloads via Proxy Applications

The present work investigates the modeling of preexascale input/output (I/O) workloads of Adaptive Mesh Refinement (AMR) simulations through a simple proxy application. We collect data from the AMReX Castro framework running on the Summit supercomputer for a wide range of scales and mesh partitions for the hydrodynamic Sedov case as a baseline to provide sufficient coverage to the formulated proxy model. The non-linear analysis data production rates are quantified as a function of a set of input parameters such as output frequency, grid size, number of levels, and the Courant-Friedrichs-Lewy (CFL) condition number for each rank, mesh level and simulation time step. Linear regression is then applied to formulate a simple analytical model which allows to translate AMReX inputs into MACSio proxy I/O application parameters, resulting in a simple “kernel” approximation for data production at each time step. Results show that MACSio can simulate actual AMReX nonlinear “static” I/O workloads to a certain degree of confidence on the Summit supercomputer using the present methodology. The goal is to provide an initial level of understanding of AMR I/O workloads via lightweight proxy applications models to facilitate autotune data management strategies in anticipation of exascale systems.

Godoy, William↗

DOE OSTI2024

Numerical simulations of laser-driven experiments of ion acceleration in stochastic magnetic fields

We present numerical simulations used to interpret laser-driven plasma experiments at the GSI Helmholtz Centre for Heavy Ion Research. The mechanisms by which non-thermal particles are accelerated in astrophysical environments, e.g., the solar wind, supernova remnants, and gamma ray bursts, is a topic of intense study. When shocks are present, the primary acceleration mechanism is believed to be first-order Fermi, which accelerates particles as they cross a shock. Second-order Fermi acceleration can also contribute, utilizing magnetic mirrors for particle energization. Despite this mechanism being less efficient, the ubiquity of magnetized turbulence in the universe necessitates its consideration. Another acceleration mechanism is the lower-hybrid drift instability, arising from gradients of both density and magnetic field, which produce lower-hybrid waves with an electric field that energizes particles as they cross these waves. With the combination of high-powered laser systems and particle accelerators, it is possible to study the mechanisms behind cosmic-ray acceleration in the laboratory. In this work, we combine experimental results and high-fidelity three-dimensional simulations to estimate the efficiency of ion acceleration in a weakly magnetized interaction region. We validate the FLASH magneto-hydrodynamic code with experimental results and use OSIRIS particle-in-cell code to verify the initial formation of the interaction region, showing good agreement between codes and experimental results. We find that the plasma conditions in the experiment are conducive to the lower-hybrid drift instability, yielding an increase in energy ΔE of ~ 264 keV for 242 MeV calcium ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Fusion burn-propagation simulations using the collisional and radiative particle-in-cell code TRIFORCE

The ability to accurately model burn propagation in inertial confinement fusion plasmas is crucial for advancing fusion energy research. This work presents enhancements to the triforce hybrid fluid-kinetic multiphysics code, focusing on its kinetic half, which employs the particle-in-cell (PIC) method with Monte Carlo collisions (MCC). We use a moment-preserving collision model that mitigates numerical noise, particularly in spherical geometries where particle weights vary significantly. Additionally, we refine the treatment of inverse bremsstrahlung to account for electron–ion collision frequency reductions in degenerate plasmas and incorporate a blackbody radiation source to enable realistic photon injection. These improvements enable the simulation of 1-dimensional (1D) spherical fusion burn propagation in deuterium–tritium plasmas. Benchmark comparisons with the hydra radiation-hydrodynamics code confirm that triforce accurately captures the dynamics of hot-spot expansion and burn propagation, demonstrating sensitivity to ignition thresholds consistent with theoretical models. Findings show the ignition cliff to be less steep in our work compared to radiation-hydrodynamic modeling. These results highlight the role of kinetic effects in fusion ignition physics and underscore the necessity of hybrid fluid-kinetic models for advancing predictive capabilities in high-energy-density plasma systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Loads on a Jacket-Supported Wind Turbine During Hurricane Sandy Simulation

Abstract The dynamic response of a jacket-supported offshore wind turbine under coupled wind, wave, and current fields during Hurricane Sandy is the subject of this study. To illustrate the detailed procedure related to the response evaluation of a 5-MW offshore wind turbine with a jacket support structure, we consider a single site where the water depth is 50 m. Loads are computed using two simulation tools, fast and abaqus, with partial coupling. Aerodynamic loads on the turbine rotor are first evaluated using a wind turbine model in fast with a fixed base; then, these rotor aerodynamic loads are applied as point loads at the top of a model of a tower that is supported by a jacket structure in abaqus. On the basis of stochastic simulations, we discuss the applicability of the abaqus jacket modeling and describe the characteristics and comparisons of the aerodynamic and hydrodynamic effects on loads on the jacket members. Details related to the structural model and soil–pile interaction model employed in the analyses are also discussed.

Engineering↗

DOE OSTI2020

Computational Fluid Dynamics Analysis of a 12 MW Circulating Fluidized Bed Rise

A three-dimensional (3D) two fluid model (TFM) model of the 12 MW circulating fluidized bed (CFB) riser at Chalmers University was developed using the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The hydrodynamic behavior of the riser was validated by comparing axial pressure profiles from experimental measurements with the results from the simulations. Under some of the operating conditions where there was no external circulation of solids, the pressure profiles from the simulation matched well with the experimental measurements. For the cases where there was external circulation of solids, the pressure profiles with the monodisperse solid phase modeling underpredicted the solids concentration in the freeboard region. With the inclusion of polydispersity in the model, the predicted pressure profiles agreed well with the experimental measurements. A two-dimensional (2D) model of the riser was used to perform simulations of coal combustion. The predicted flue gas outlet compositions of oxygen and carbon dioxide compared reasonably to experiments. The experiments also reported some concentration of carbon monoxide which was overpredicted in the simulations. Additional experimental data such as axial oxygen concentration profile and pressure profiles were also compared with the experiment. It was observed that the oxygen concentration in the bottom bed from the simulations was higher than in the experiments, which suggested that most of the oxidation reactions occurred in the bottom bed. The concentration of volatiles and char in the simulations was lower in the bottom bed than in the experiments, which suggest that there is not sufficient penetration of the solid phase species into the bed.

20 FOSSIL-FUELED POWER PLANTS↗