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At least 19 records

Toward Exascale: Overview of Large Eddy Simulations and Direct Numerical Simulations of Nuclear Reactor Flows with the Spectral Element Method in Nek5000

At the beginning of the last decade, Petascale supercomputers (i.e., computers capable of more than 1 petaFLOP) emerged. Now, at the dawn of exascale supercomputing, we provide a review of recent landmark simulations of portions of reactor components with turbulence-resolving techniques that this computational power has made possible. In fact, these simulations have provided invaluable insight into flow dynamics, which is difficult or often impossible to obtain with experiments alone. We focus on simulations performed with the spectral element method, as this method has emerged as a powerful tool to deliver massively parallel calculations at high fidelity by using large eddy simulation or direct numerical simulation. We also limit this paper to constant-property incompressible flow of a Newtonian fluid in the absence of other body or external forces, although the method is by no means limited to this class of flows. We briefly review the fundamentals of the method and the reasons it is compelling for the simulation of nuclear engineering flows. We review in detail a series of Petascale simulations, including the simulations of helical coil steam generators, fuel assemblies, and pebble beds. Even with Petascale computing, however, limitations for nuclear modeling and simulation tools remain. In particular, the size and scope of turbulence-resolving simulations are still limited by computing power and resolution requirements, which scale with the Reynolds number. In the final part of this paper, we discuss the future of the field, including recent advancements in emerging architectures such as GPUbased supercomputers, which are expected to power the next generation of high-performance computers.

computational fluid dynamics↗

Investigation of Farm-to-Farm Interactions and Blockage Effects from AWAKEN using Large-Scale Numerical Simulations

A large-scale numerical computation of five wind farms was performed as a part of the American Wake Experiment (AWAKEN). This high-fidelity computation used the ExaWind/AMR-Wind LES solver to simulate a 100km × 100km domain containing 541 turbines under unstable atmospheric conditions matching previous measurements. The turbines were represented by Joukowski and OpenFAST coupled actuator disk models. Results of this qualitative comparison illustrate the interactions with wind farms with large scale ABL structures in the flow, as well as the extent of downstream wake penetration in the flow and blockage effects around wind farms.

Cheung, Lawrence C.↗

The Aemulus Project. I. Numerical Simulations for Precision Cosmology

The rapidly growing statistical precision of galaxy surveys has led to a need for ever more precise predictions of the observables used to constrain cosmological and galaxy formation models. The primary avenue through which such predictions will be obtained is suites of numerical simulations. These simulations must span the relevant model parameter spaces, be large enough to obtain the precision demanded by upcoming data, and be thoroughly validated in order to ensure accuracy. In this paper, we present one such suite of simulations, forming the basis for the AEMULUS Project, a collaboration devoted to precision emulation of galaxy survey observables. We have run a set of 75 (1.05 h(-1) Gpc)(3) simulations with mass resolution and force softening of 3.51 x 10(10) (Omega(m)/0.3) h(-1) M-circle dot and 20 h(-1) kpc, respectively, in 47 different wCDM cosmologies spanning the range of parameter space allowed by the combination of recent cosmic microwave background, baryon acoustic oscillation, and Type Ia supernova results. We present convergence tests of several observables including spherical overdensity halo mass functions, galaxy projected correlation functions, galaxy clustering in redshift space, and matter and halo correlation functions and power spectra. We show that these statistics are converged to 1% (2%) or to the sample variance of the statistic, whichever is larger, for halos with more than 500 (200) particles, respectively, and scales of r > 200 h(-1) kpc. in real space or k similar to 3 h Mpc(-1). in harmonic space for z <= 1. We find that the dominant source of uncertainty comes from varying the particle loading of the simulations. This leads to large systematic errors for statistics using halos with fewer than 200 particles and scales smaller than k similar to 4 h Mpc(-1). We provide the halo catalogs and snapshots detailed in this work to the community at. https://AemulusProject.github.io.

large-scale structure of universe↗

Modeling of Cube Array Roughness: RANS, Large Eddy Simulation, and Direct Numerical Simulation

Abstract Flow over arrays of cubes is an extensively studied model problem for rough wall turbulent boundary layers. While considerable research has been performed in computationally investigating these topologies using direct numerical simulation (DNS) and large eddy simulation (LES), the ability of sublayer-resolved Reynolds-averaged Navier–Stokes (RANS) to predict the bulk flow phenomena of these systems is relatively unexplored, especially at low and high packing densities. Here, RANS simulations are conducted on six different packing densities of cubes in aligned and staggered configurations. The packing densities investigated span from what would classically be defined as isolated, up to those in the d-type roughness regime, filling in the gap in the present literature. Three different sublayer-resolved turbulence closure models were tested for each case: a low Reynolds number k–ϵ model, the Menter k–ω SST model, and a full Reynolds stress model. Comparisons of the velocity fields, secondary flow features, and drag coefficients are made between the RANS results and existing LES and DNS results. There is a significant degree of variability in the performance of the various RANS models across all comparison metrics. However, the Reynolds stress model demonstrated the best accuracy in terms of the mean velocity profile as well as drag partition across the range of packing densities.

Engineering↗

Optimization of the parameters of HEMT GaN/AlN/AlGaN heterostructures for microwave transistors using numerical simulation

The numerical simulation, and theoretical and experimental optimization of field-effect microwave high-electron-mobility transistors (HEMTs) based on GaN/AlN/AlGaN heterostructures are performed. The results of the study showed that the optimal thicknesses and compositions of the heterostructure layers, allowing high microwave power implementation, are in relatively narrow ranges. It is shown that numerical simulation can be efficiently applied to the development of microwave HEMTs, taking into account basic physical phenomena and features of actual device structures.

36 MATERIALS SCIENCE↗

India National Gas Hydrate Program Expedition 02 Summary of Scientific Results: Numerical Simulation of Reservoir Response to Depressurization

The India National Gas Hydrate Program Expedition 02 (NGHP-02) discovered gas hydrate at high saturation in sand reservoirs at several sites in the deepwater Bay of Bengal. To assess the potential response of those deposits to scientific depressurization experiments, comprehensive geologic models were constructed to enable numerical simulation for two sites. Both sites (NGHP-02-09 and NGHP-02-16) feature thick sequences of thinly-interbedded reservoir and non-reservoir facies at sub-seafloor depths less than 300m and sub-sea depths of 2400m or more. These settings pose significant challenges to current modeling capabilities. First, the thinly-interbedded reservoir architecture complicates the determination of basic reservoir parameters from both log and core data due to measurement resolution issues. Secondly, the fine scale variation in sediment properties imparts great contrasts in key parameters over very short distances, creating high gradients at multiple scales and varying orientations that necessitate careful design of high-definition simulation grids. Thirdly, the deposits include internal sources of water, as well as a range of complex boundary conditions, including variable permeability within the overlying mud-rich “seals,” that complicate reservoir depressurization. Lastly, because of the unique combination of great water depth and relatively shallow sub-seafloor depth: models designed to maximize the dissociation rate impose large pressure drawdowns on relatively low-strength sediments. This condition renders the proper evaluation and integration of the geomechanical response to hydrate dissociation critical. In this report, we review the history of gas hydrate reservoir simulation, discuss methods for creating geologic input models, and summarize the key findings and implications of the collaborative NGHP-02 numerical simulation effort. Together, the studies confirm the viability of the modeled accumulations for scientific testing and identify key challenges related to the selection of specific test sites and the design of test wells.

Boswell, Ray↗

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)↗

Direct Numerical Simulation of the Flow through a Randomly Packed Pebble Bed

The proposition for molten salt and high-temperature gas-cooled reactors has increased the focus on the dynamics and physics in randomly packed pebble beds. Research is being conducted on the validity of these designs as a possible contestant for the fourth-generation nuclear power systems. A detailed understanding of the coolant flow behavior is required in order to ensure proper cooling of the reactor core during normal and accident conditions. In order to increase the understanding of the flow through these complex geometries and enhance the accuracy of lower-fidelity modeling, high-fidelity approaches such as direct numerical simulation (DNS) can be utilized. Nek5000, a spectral-element computational fluid dynamics (CFD) code, was used to develop DNS fluid flow data. The flow domain consisted of 147 pebbles enclosed by a bounding wall. In the work presented, the Reynolds numbers ranged from 430 to 1050 based on the pebble diameter and inlet velocity. Characteristics of the flow domain such as volume averaged porosity, axial porosity, and radial porosity were studied and compared with correlations available in the literature. Friction factors from the DNS results for all Reynolds numbers were compared with correlations in the literature. The first- and second-order statistics show good agreement with the available experimental data. Turbulence length scales were analyzed in the flow. Reynolds stress anisotropy was characterized by utilizing invariant analysis. Overall, the results of the analysis in this study provide deeper understanding of the flow behavior and the effect of the wall in packed beds.

Yildiz, Mustafa Alper↗

Direct numerical simulations of reacting flows with detailed chemistry using many-core/GPU acceleration

A new direct numerical simulation (DNS) code for multi-component gaseous reacting flows has been developed at KAUST, with the state-of-the-art programming model for next generation high performance computing platforms. The code, named KAUST Adaptive Reacting Flows Solver (KARFS), employs the MPI+X programming, and relies on Kokkos for “X” for performance portability to multi-core, many-core and GPUs, providing innovative software development while maintaining backward compatibility with established parallel models and legacy code. The capability and potential of KARFS to perform DNS of reacting flows with large, detailed reaction mechanisms is demonstrated with various model problems involving ignition and turbulent flame propagations with varying degrees of chemical complexities.

Computer Science↗

Investigation of high-pressure turbulent jets using direct numerical simulation

Direct numerical simulations of free round jets at a Reynolds number (Re D ) of 5000, based on jet diameter (D) and jet-exit bulk velocity (U e ), are performed to study jet turbulence characteristics at supercritical pressures. The jet consists of nitrogen (N 2 ) that is injected into N 2 at the same temperature. To understand turbulent mixing, a passive scalar is transported with the flow at unity Schmidt number. Two sets of inflow conditions that model jets issuing from either a smooth contraction nozzle (laminar inflow) or a long pipe nozzle (turbulent inflow) are considered. By changing one parameter at a time, the simulations examine the jet-flow sensitivity to the thermodynamic condition (characterized in terms of the compressibility factor ($Z$) and the normalized isothermal compressibility), inflow condition and ambient pressure (p ∞ ) spanning perfect- to real-gas conditions. The inflow affects flow statistics in the near field (containing the potential core closure and the transition region) as well as further downstream (containing fully developed flow with self-similar statistics) at both atmospheric and supercritical p ∞ . The sensitivity to inflow is larger in the transition region, where the laminar-inflow jets exhibit dominant coherent structures that produce higher mean strain rates and higher turbulent kinetic energy than in turbulent-inflow jets. Decreasing $Z$ at a fixed supercritical p ∞ enhances pressure and density fluctuations (non-dimensionalized by local mean pressure and density, respectively), but the effect on velocity fluctuations depends also on the local flow dynamics. When $Z$ is reduced, large mean strain rates in the transition region of laminar-inflow jets significantly enhance velocity fluctuations (non-dimensionalized by local mean velocity) and scalar mixing, whereas the effects are minimal in jets from turbulent inflow.

42 ENGINEERING↗

Identification and mapping of riverbed sediment facies in the Columbia River through integration of field observations and numerical simulations

In the Hanford Reach of the Columbia River, a thin layer of recent alluvium overlies the sedimentary formations that comprise the unconfined groundwater aquifer. Experimental and modeling studies have demonstrated that this alluvial layer exerts significant control on the exchange of groundwater and surface water (hydrologic exchange flux), and is associated with elevated levels of biogeochemical activity. This layer is also observed to be strongly heterogeneous, and quantifying the spatial distribution of properties over the range of scales of interest is challenging. Facies are elements of a sediment classification scheme that groups complex geologic materials into a set of discrete classes according to distinguishing features. Facies classifications have been used as a framework for assigning heterogeneous material properties to grid cells of numerical models of flow and reactive transport in subsurface media. The usefulness of such an approach hinges on being able to relate facies to quantitative properties needed for flow and reactive transport modeling, and on being able to map facies over the domain of interest using readily available information. While aquifer facies have been used in various modeling contexts, application of this concept to riverbed sediments is relatively new. Here we describe an approach for categorizing and mapping recent alluvial (riverbed) sediments based on the integration of diverse observations with numerical simulations of river hydrodynamics. The facies have distinct distributions of sediment texture which correspond to variations in hydraulic properties, and therefore provide a useful framework for assigning heterogeneous properties in numerical simulations of hydrologic exchange flows and biogeochemical processes.

Hou, Zhangshuan↗

Numerical Simulation of Whistler Waves in Magnetized Plasma with Small-Scale Irregularities

Propagation of whistler-mode waves in magnetized plasma in the presence of small-scale field-aligned irregularities with enhanced or depressed plasma density is simulated numerically. The numerical experiments have demonstrated the effect of guided propagation of whistler-mode waves in plasma regions occupied by irregularities with transverse dimensions smaller than the whistler wavelength in uniform plasma. It is shown that not only individual irregularities but also the entire modified region, which serves as a specific guiding structure, exhibit waveguide properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct numerical simulations of activation and deactivation in turbulent atmospheric clouds

Significant knowledge gaps remain in our understanding of turbulence–cloud–aerosol interactions in the Earth's atmosphere, and direct numerical simulation (DNS) has increasingly become an indispensable tool to fill such critical knowledge gaps. Here, this study is an extension of our previous DNS model [Gao et al., J. Geophys. Res.: Atmos., 123(4), 2194–2214 (2018)], with a focus on the activation of aerosol particles into cloud droplets and deactivation of cloud droplets into aerosol particles in a microscale cloud environment. The effects of turbulence intensity, particle curvature, and solute, as well as the initial distributions of the aerosol particles (monodisperse or polydisperse) are investigated. The governing equations for the flow of air, temperature, and water vapor mixing ratio are solved numerically in the Eulerian fashion, assuming homogeneous and isotropic turbulence. The dynamics of the aerosol and cloud particles are calculated with the Lagrangian particle tracking method. The results show that the deviations of the thermodynamic variables from their respective means are significantly reduced, the activation process appears to be delayed, and the deactivation process occurs more rapidly, as the turbulence intensity is increased. The inclusion of particle curvature and solute effects, as well as polydispersity, tends to retard the activation of aerosols into cloud droplets. It is also observed that fluctuations in supersaturation broaden the spread of particle radii, and the broadening is followed by a narrowing as turbulent homogenization reduces thermodynamic fluctuations over time.

54 ENVIRONMENTAL SCIENCES↗

Comparison of Measured and Numerically Simulated Turbulence Statistics in a Convective Boundary Layer Over Complex Terrain

High resolution numerical simulation can provide insight into important physical processes that occur within the planetary boundary layer (PBL). The present work employs large eddy simulation (LES) nested within the Weather Forecasting and Research (WRF) framework to simulate real conditions in the convective PBL over an area of complex terrain. A multiple nesting approach has been used to downsize the grid spacing size from 12.15 km (mesoscale) to 0.03 km (LES). To minimize artifacts in theWRF-LES solutions resulting from using an inappropriate grid spacing on the WRF-Meso domain, a careful selection of grid spacing has been conducted. The WRF-LES results have been evaluated with in situ and remote sensing observations collected during the US Department of Energy supported Columbia BasinWind Energy Study (CBWES). The comparison for the first and second order moments, turbulence spectrum, and probability density function (pdf) of wind speed show good agreement between the simulation and data. Furthermore, the WRF-LES variables show a great deal of variability in space and time caused by the complex topography in the LES domain. The WRF-LES results show that the flow structures, such as roll vortices and convective cells, over the domain vary depending on both the spatial location and time of the day. In addition to basic studies related to boundary-layer meteorology, results from these simulations can be used in other applications, such as studying the wind energy resources.

54 ENVIRONMENTAL SCIENCES↗