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DOE OSTI2016

A mass-conserving lattice Boltzmann method with dynamic grid refinement for immiscible two-phase flows

A mass-conserving lattice Boltzmann method (LBM) for multiphase flows is presented in this paper. The proposed LBM improves a previous model (Lee and Liu, 2010 [21]) in terms of mass conservation, speed-up, and efficiency, and also extends its capabilities for implementation on non-uniform grids. The presented model consists of a phase-field lattice Boltzmann equation (LBE) for tracking the interface between different fluids and a pressure-evolution LBM for recovering the hydrodynamic properties. In addition to the mass conservation property and the simplicity of the algorithm, the advantages of the current phase-field LBE are that it is an order of magnitude faster than the previous interface tracking LBE proposed by Lee and Liu (2010) [21] and it requires less memory resources for data storage. Meanwhile, the pressure-evolution LBM is equipped with a multi-relaxation-time (MRT) collision operator to facilitate attainability of small relaxation rates thereby allowing simulation of multiphase flows at higher Reynolds numbers. Additionally, we reformulate the presented MRT-LBM on nonuniform grids within an adaptive mesh refinement (AMR) framework. Various benchmark studies such as a rising bubble and a falling drop under buoyancy, droplet splashing on a wet surface, and droplet coalescence onto a fluid interface are conducted to examine the accuracy and versatility of the proposed AMR-LBM. The proposed model is further validated by comparing the results with other LB models on uniform grids. A factor of about 20 in savings of computational resources is achieved by using the proposed AMR-LBM. As a more demanding application, the Kelvin–Helmholtz instability (KHI) of a shear-layer flow is investigated for both density-matched and density-stratified binary fluids. The KHI results of the density-matched fluids are shown to be in good agreement with the benchmark AMR results based on the sharp-interface approach. When a density contrast between the two fluids exists, a typical chaotic structure in the flow field is observed at a Reynolds number of 10000, which indicates that the proposed model is a promising tool for direct numerical simulation of two-phase flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Magnetohydrodynamics using path or stream functions

Magnetization in highly conductive plasmas is ubiquitous to astronomical systems. Flows in such media can be described by three path functions Λ{sub α}, or, for a steady flow, by two stream functions λ{sub κ} and an additional field such as mass density ρ, velocity v, or travel time Δt. While typical analyses of a frozen magnetic field B are problem-specific and involve nonlocal gradients of the fluid element position x(t), we derive the general, local (in Λ or λ space) solution B=(∂x/∂Λ{sub α}){sub t} B-tilde {sub α}ρ/ ρ-tilde , where Lagrangian constants denoted by a tilde are directly fixed at a boundary hypersurface H-tilde on which B is known. For a steady flow, ρ-tilde B/ρ=(∂x/∂λ{sub κ}){sub Δt} B-tilde {sub κ}+v B-tilde {sub 3}/ v-tilde ; here the electric field E∼( B-tilde {sub 2}∇λ{sub 1}− B-tilde {sub 1}∇λ{sub 2})/ ρ-tilde depends only on λ{sub κ} and the boundary conditions. Illustrative special cases include compressible axisymmetric flows and incompressible flows around a sphere, showing that viscosity and compressibility enhance the magnetization and lead to thicker boundary layers. Our method is especially useful for directly computing electric fields, and for addressing upstream magnetic fields that vary in spacetime. We thus estimate the electric fields above heliospheres and magnetospheres, compute the draping of magnetic substructure around a planetary body, and demonstrate the resulting inverse polarity reversal layer. Our analysis can be immediately incorporated into existing hydrodynamic codes that are based on stream or path functions, to passively evolve the electromagnetic fields in a simulated flow. Furthermore, in such a prescription the electromagnetic fields are frozen onto the grid, so it may be developed into a fully magnetohydrodynamic, efficient simulation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

THE DETECTION AND STATISTICS OF GIANT ARCS BEHIND CLASH CLUSTERS

We developed an algorithm to find and characterize gravitationally lensed galaxies (arcs) to perform a comparison of the observed and simulated arc abundance. Observations are from the Cluster Lensing And Supernova survey with Hubble (CLASH). Simulated CLASH images are created using the MOKA package and also clusters selected from the high-resolution, hydrodynamical simulations, MUSIC, over the same mass and redshift range as the CLASH sample. The algorithm's arc elongation accuracy, completeness, and false positive rate are determined and used to compute an estimate of the true arc abundance. We derive a lensing efficiency of 4 ± 1 arcs (with length ≥6″ and length-to-width ratio ≥7) per cluster for the X-ray-selected CLASH sample, 4 ± 1 arcs per cluster for the MOKA-simulated sample, and 3 ± 1 arcs per cluster for the MUSIC-simulated sample. The observed and simulated arc statistics are in full agreement. We measure the photometric redshifts of all detected arcs and find a median redshift z{sub s} = 1.9 with 33% of the detected arcs having z{sub s} > 3. We find that the arc abundance does not depend strongly on the source redshift distribution but is sensitive to the mass distribution of the dark matter halos (e.g., the c–M relation). Our results show that consistency between the observed and simulated distributions of lensed arc sizes and axial ratios can be achieved by using cluster-lensing simulations that are carefully matched to the selection criteria used in the observations.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1986

Overview of free-piston Stirling SP-100 activities at the NASA Lewis Research Center

An overview of the National Aeronautics and Space Administration (NASA) Lewis Research Center (LeRC) SP-100 free-piston Stirling engine activities is presented. These activities are being conducted in support of the Department of Defense (DOD), Department of Energy (DOE), and NASA. The space-power technology effort, under SP-100, addresses the status of the 25 kWe Space Power Demonstrator Engine (SPDE). Another facet of the SP-100 project covers the status of an endurance test. Dynamic balancing of the SPDE engine is discussed along with a summary covering the parametric results of a study showing the relationship between power-converter specific weight and efficiency both as a function of Stirling engine heater to cooler temperature ratio. Design parameters and conceptual design features are presented for a 25 kWe, single-cylinder free-piston Stirling space-power converter. And finally, a description of a hydrodynamic gas bearing concept is presented.

Slaby, J. G.↗

DOE OSTI2022

Hot Circumsingle Disks Drive Binary Black Hole Mergers in Active Galactic Nucleus Disks

Abstract Binary black hole (BBH) mergers, particularly those with component masses in the pair-instability gap, may be produced by hierarchical mergers in the disks surrounding Active Galactic Nuclei (AGNs). While the interaction of an embedded BBH with an AGN disk is typically assumed to facilitate a merger, recent high-resolution hydrodynamical simulations challenge this assumption. However, these simulations often have simplified treatments for gas thermodynamics. In this work, we model the possible consequence of various feedback from an embedded BBH with a simple model that maintains an enhanced temperature profile around each binary component. We show that when the minidisks around each BH become hotter than the background by a factor of three, the BBH orbital evolution switches from expansion to contraction. By analyzing the gravitational torque profile, we find that this change in direction is driven by a weakening of the minidisk spirals and their positive torque on the binary. Our results highlight the important role of thermodynamics around BBHs and its effect on their orbital evolution, suggesting that AGN disks could be efficient factories for BBH mergers.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

HARD: A performance portable radiation hydrodynamics code based on FleCSI framework

Hydrodynamics And Radiation Diffusion (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Bergen et al., 2021 [1]) (Flexible Computational Science Infrastructure) framework, HARD expresses its computational units as tasks whose execution can be orchestrated by multiple back-end runtimes, including Legion (Bauer et al., 2012 [2]), MPI (Forum, 1994 [3]), and HPX (Kaiser et al., 2020 [4]). Node-level parallelism is handled through Kokkos (Edwards et al., 2014 [5]), providing a single-source, portable code base that runs efficiently on laptops, small homogeneous clusters, and the largest heterogeneous supercomputers currently available. To ensure scientific reliability, HARD includes a regression test suite that automatically reproduces canonical verification problems such as the Sod and LeBlanc shock tubes, and the Sedov blast wave, comparing numerical solutions against known analytical results. The project is distributed under an OSI-approved license, hosted on GitHub, and accompanied by reproducible build scripts and continuous integration workflows. This combination of performance portability, verification infrastructure, and community-focused development makes HARD a sustainable platform for advancing radiation hydrodynamics research across multiple domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

ETHOS: An automated framework to generate multi-fidelity constitutive data tables and propagate uncertainties to hydrodynamic simulations

Accurate constitutive data, such as equations of state and plasma transport coefficients, are necessary for reliable hydrodynamic simulations of plasma systems such as fusion targets, planets, and stars. Here, we develop a framework for automatically generating transport-coefficient tables using a parameterized model that incorporates data from both high-fidelity sources (e.g., density functional theory calculations and reference experiments) and lower-fidelity sources (e.g., average-atom and analytic models). The framework incorporates uncertainties from these multi-fidelity sources, generating ensembles of optimally diverse tables that are suitable for uncertainty quantification of hydrodynamic simulations. We illustrate the utility of the framework with magnetohydrodynamic simulations of magnetically launched flyer plates, which are used to measure material properties in pulsed-power experiments. We explore how changes in the uncertainties assigned to the multi-fidelity data sources propagate to changes in simulation outputs and find that our simulations are most sensitive to uncertainties near the melting transition. The presented framework enables computationally efficient uncertainty quantification that readily incorporates new high-fidelity measurements or calculations and identifies plasma regimes where additional data will have high impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Joint galaxy–galaxy lensing and clustering constraints on galaxy formation

ABSTRACT We compare predictions for galaxy–galaxy lensing profiles and clustering from the Henriques et al. public version of the Munich semi-analytical model (SAM) of galaxy formation and the IllustrisTNG suite, primarily TNG300, with observations from KiDS + GAMA and SDSS-DR7 using four different selection functions for the lenses (stellar mass, stellar mass and group membership, stellar mass and isolation criteria, and stellar mass and colour). We find that this version of the SAM does not agree well with the current data for stellar mass-only lenses with $M_\ast \gt 10^{11}\, \mathrm{ M}_\odot$. By decreasing the merger time for satellite galaxies as well as reducing the radio-mode active galactic nucleus accretion efficiency in the SAM, we obtain better agreement, both for the lensing and the clustering, at the high-mass end. We show that the new model is consistent with the signals for central galaxies presented in Velliscig et al. Turning to the hydrodynamical simulation, TNG300 produces good lensing predictions, both for stellar mass-only (χ2 = 1.81 compared to χ2 = 7.79 for the SAM) and locally brightest galaxy samples (χ2 = 3.80 compared to χ2 = 5.01). With added dust corrections to the colours it matches the SDSS clustering signal well for red low-mass galaxies. We find that both the SAMs and TNG300 predict $\sim 50\, {{\ \rm per\ cent}}$ excessive lensing signals for intermediate-mass red galaxies with 10.2 < log10M*[M⊙] < 11.2 at $r \approx 0.6\, h^{-1}\, \text{Mpc}$, which require further theoretical development.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Irregular Wave Energy Extraction Analysis for a Slider Crank WEC Power Take-Off System

Slider crank Wave Energy Converter (WEC) is a novel energy conversion device. It converts wave energy into electricity at a relatively high efficiency, and it features a simple structure. Past analysis on this WEC has been done under regular sinusoidal wave conditions, and a suboptimal energy could be achieved. This paper presents the analysis of the system under irregular wave conditions; a time-domain hydrodynamics model is adopted and the control methodology is modified to better serve the irregular wave conditions. Results from the simulations show that the performance of the system under irregular wave conditions is different from that under regular sinusoidal wave conditions, but still a reasonable amount of energy can be extracted.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

NED_Asteroid_Energy_Deposition

In the event of a potentially catastrophic asteroid impact, with sufficient warning time, deploying a nuclear device remains a powerful option for planetary defense if a kinetic impactor proves insufficient. Predicting the effectiveness of a potential nuclear deflection or disruption mission depends on accurate multiphysics simulations of the device's x-ray energy deposition into the asteroid and the resulting material ablation. These simulations span many orders of magnitude, require a variety of different complex physics packages, and are computationally expensive. Having an efficient and accurate way of modeling this system is necessary for exploring a mission's sensitivity to the asteroid's range of physical properties. To expedite future simulations, we present a completed x-ray energy deposition model developed using the radiation-hydrodynamics code Kull which can be used to initiate a nuclear mitigation mission hydrocode. The model spans a wide variety of possible mission initial conditions: four different asteroid-like materials (Silicon Dioxide, Forsterite, Iron, and Ice), two different source spectra (1 and 2 keV blackbodies), and then a broad range of radiation fluences (0.0001 to 1 kt per square meter), source durations (10 to 100 ns), and asteroid porosities (0 to 80 percent). Using blowoff momentum as the primary metric, the modelinitiated simulation results match the full radiation-hydrodynamics results to within 10 percent. Please reference the journal article: Burkey et al., X-Ray Energy Deposition Model for Simulating Asteroid Response to a Nuclear Planetary Defense Mitigation Mission, Planetary Science Journal, (2023) for more information.

Managan, RobertA↗

DOE OSTI2023

X-Ray Energy Deposition Model for Simulating Asteroid Response to a Nuclear Planetary Defense Mitigation Mission

Abstract In the event of a potentially catastrophic asteroid impact, with sufficient warning time, deploying a nuclear device remains a powerful option for planetary defense if a kinetic impactor or other means of deflection proves insufficient. Predicting the effectiveness of a potential nuclear deflection or disruption mission depends on accurate multiphysics simulations of the device's X-ray energy deposition into the asteroid and the resulting material ablation. The relevant physics in these simulations span many orders of magnitude, require a variety of different complex physics packages, and are computationally expensive. Having an efficient and accurate way of modeling this system is necessary for exploring a mission's sensitivity to the asteroid's range of physical properties. To expedite future simulations, we present a completed X-ray energy deposition model developed using the radiation-hydrodynamics code Kull that can be used to initiate a nuclear mitigation mission calculation. The model spans a wide variety of possible mission initial conditions: four different asteroid-like materials at a range of porosities, two different source spectra, and a broad range of radiation fluences, source durations, and angles of incidence. Using blowoff momentum as the primary metric, the model-initiated simulation results match the full radiation-hydrodynamics results to within 10%.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1983

Loss of water from Venus. I - Hydrodynamic escape of hydrogen

A one-dimensional photochemical-dynamic model is used to study hydrodynamic loss of hydrogen from a primitive, water-rich atmosphere on Venus. The escape flux is calculated as a function of the H2O mixing ratio at the atmospheric cold trap. The cold trap mixing ratio is then related in an approximate fashion to the H2O concentration in the lower atmosphere. Hydrodynamic escape should have been the dominant loss process for hydroogen when the H2O mass mixing ratio in the lower atmosphere exceeded approximately 0.1. The escape rate would have depended upon the magnitude of the solar ultraviolet flux and the atmospheric EUV heating efficiency and, to a lesser extent, on the O2 content of the atmosphere. The time required for Venus to have lost the bulk of a terrestrial ocean of water is on the order of a billion years. Deuterium would have been swept away along with hydrogen if the escape rate was high enough, but some D/H enrichment should have occurred as the escape rate slowed down.

Kasting, J. F.↗

DOE OSTI2015

Energy Extraction from a Slider-Crank Wave Energy under Irregular Wave Conditions: Preprint

A slider-crank wave energy converter (WEC) is a novel energy conversion device. It converts wave energy into electricity at a relatively high efficiency, and it features a simple structure. Past analysis on this particular WEC has been done under regular sinusoidal wave conditions, and suboptimal energy could be achieved. This paper presents the analysis of the system under irregular wave conditions; a time-domain hydrodynamics model is adopted and a rule-based control methodology is introduced to better serve the irregular wave conditions. Results from the simulations show that the performance of the system under irregular wave conditions is different from that under regular sinusoidal wave conditions, but a reasonable amount of energy can still be extracted.

17 WIND ENERGY↗

DOE OSTI2015

Energy Extraction from a Slider-Crank Wave Energy Converter under Irregular Wave Conditions

17 WIND ENERGY↗

DOE OSTI2020

High-performance computing in water resources hydrodynamics

In this work, we present a vision of future water resources hydrodynamics codes that can fully utilize the strengths of modern high-performance computing. The advances to computing power, formerly driven by the improvement of central processing unit processors, now focus on parallel computing and, in particular, the use of graphics processing units (GPUs). However, this shift to a parallel framework requires refactoring the code to make efficient use of the data as well as changing even the nature of the algorithm that solves the system of equations. These concepts along with other features such as the precision for the computations, dry regions management, and input/output data are analyzed in this paper. A 2D multi-GPU flood code applied to a large-scale test case is used to corroborate our statements and ascertain the new challenges for the next-generation parallel water resources codes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Simulation study of 3–5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3–5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (∼n{sub c}/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using HYDRA, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facility (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from CRETIN, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3–5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ∼100–150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (∼20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3–5 keV x-ray source on NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗

DOE OSTI2015

Early structure formation from primordial density fluctuations with a blue, tilted power spectrum

While observations of large-scale structure and the cosmic microwave background (CMB) provide strong constraints on the amplitude of the primordial power spectrum (PPS) on scales larger than 10 Mpc, the amplitude of the power spectrum on sub-galactic length scales is much more poorly constrained. We study early structure formation in a cosmological model with a blue-tilted PPS. We assume that the standard scale-invariant PPS is modified at small length scales as P(k)∼k{sup m{sub s}} with m{sub s} > 1. We run a series of cosmological hydrodynamic simulations to examine the dependence of the formation epoch and the characteristic mass of primordial stars on the tilt of the PPS. In models with m{sub s} > 1, star-forming gas clouds are formed at z > 100 when the formation of hydrogen molecules is inefficient because the intense CMB radiation destroys chemical intermediates. Without efficient coolant, the gas clouds gravitationally contract while retaining a high temperature. The protostars formed in such “hot” clouds grow very rapidly through accretion to become extremely massive stars that may leave massive black holes with a few hundred solar masses at z > 100. The shape of the PPS critically affects the properties and the formation epoch of the first generation of stars. Future experiments on CMB polarization and spectrum distortion may provide important information on the nature of the first stars and their formation epoch, and hence on the shape of the small-scale power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗