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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Self-consistent Modeling of Reionization in Cosmological Hydrodynamical Simulations

The ultraviolet background (UVB) emitted by quasars and galaxies governs the ionization and thermal state of the intergalactic medium (IGM), regulates the formation of high-redshift galaxies, and is thus a key quantity for modeling cosmic reionization. The vast majority of cosmological hydrodynamical simulations implement the UVB via a set of spatially uniform photoionization and photoheating rates derived from UVB synthesis models. We show that simulations using canonical UVB rates reionize and, perhaps more importantly, spuriously heat the IGM, much earlier (z∼15) than they should. This problem arises because at z>6, where observational constraints are nonexistent, the UVB amplitude is far too high. We introduce a new methodology to remedy this issue, and we generate self-consistent photoionization and photoheating rates to model any chosen reionization history. Following this approach, we run a suite of hydrodynamical simulations of different reionization scenarios and explore the impact of the timing of reionization and its concomitant heat injection on the thermal state of the IGM. We present a comprehensive study of the pressure smoothing scale of IGM gas, illustrating its dependence on the details of both hydrogen and helium reionization, and argue that it plays a fundamental role in interpreting Lyα forest statistics and the thermal evolution of the IGM. The premature IGM heating we have uncovered implies that previous work has likely dramatically overestimated the impact of photoionization feedback on galaxy formation, which sets the minimum halo mass able to form stars at high redshifts. We make our new UVB photoionization and photoheating rates publicly available for use in future simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Adaptive inverse ray-tracing for accurate and efficient modeling of cross beam energy transfer in hydrodynamics simulations

Integrated hydrodynamics simulations of inertial confinement fusion rely on reduced physics models. To reproduce experimental trends, these models often feature tuning parameters, but this comes with a risk: the over-tuning of one model can hide physics inadequacies in another. The ray-based models of cross-beam-energy transfer (CBET) represent this risk. In this paper, we present an accurate and efficient model of CBET suitable for inline implementation in 3D hydrodynamics simulations. Inverse Ray Tracing (IRT) is used to compute the ray field in a 3D permittivity profile described on an unstructured tetrahedral mesh using the Inline Field Reconstruction and Interaction using Inverse Tracing framework. CBET is accounted for through perturbations to the permittivity associated with ion acoustic waves driven by the overlapped fields. Large gradients in the permittivity are resolved by coupling the IRT to a recursive Adaptive Mesh Refinement (AMR) algorithm. The use of AMR also allows for the resolution of caustics, with accurate field reconstruction performed using the Etalon integral method. Comparisons of the model with wave-based solutions from the Laser Plasma Simulation Environment demonstrate its ability to control energy conservation and gain convergence through the AMR depth only, without the use of ad hoc physical models or artificial tuning parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Investigation of Mixing Law Efficacy for Gaseous Hydrodynamic Simulations

A computational simulation of various mixing laws for gaseous equations of state using planar traveling shocks for multiple mixtures in three dimensions is analyzed against nominal experimental data. Numerical simulations utilize the Sandia National Laboratories shock hydrodynamic code CTH and other codes including the thermochemical equilibrium code TIGER and the uncertainty qualification and sensitivity analysis code DAKOTA. The mixtures are a 1:1 and a 1:3 molar mixture of helium and sulfur hexafluoride. The mixing laws to be analyzed are the ideal gas law, Amagat's Law, Dalton's Law, the BKW EOS, the EXP6 EOS, and the JCZ3 EOS. Examination of the experimental data with TIGER revealed that the shock strength should not be strong enough to turn the mixture non-ideal as the compressibility factor z was essentially unity (z ≈ 1.02). Experimental results show that none of the equations of state are able to accurately predict the properties of the shocked mixture; similar discrepancies have been observed in previous works. Kinetic molecular theory appears to introduce a parameter which offers an explanation regarding the discrepancies. Implementation of the KMT pararneter into the EOS is left for future work.

42 ENGINEERING↗
DOE OSTI2023

Reconstructing Ly$α$ Fields from Low-resolution Hydrodynamical Simulations with Deep Learning

Hydrodynamical cosmological simulations are a powerful tool for accurately predicting the properties of the intergalactic medium (IGM) and for producing mock skies that can be compared against observational data. However, the need to resolve density fluctuation in the IGM puts a stringent requirement on the resolution of such simulations, which in turn limits the volumes that can be modeled, even on the most powerful supercomputers. In this work, we present a novel modeling method that combines physics-driven simulations with data-driven generative neural networks to produce outputs that are qualitatively and statistically close to the outputs of hydrodynamical simulations employing eight times higher resolution. We show that the Ly$α$ flux field, as well as the underlying hydrodynamic fields, have greatly improved statistical fidelity over a low-resolution simulation. Importantly, the design of our neural network allows for sampling multiple realizations from a given input, enabling us to quantify the model uncertainty. Using test data, we demonstrate that this model uncertainty correlates well with the true error of the Ly$α$ flux prediction. Ultimately, our approach allows for training on small simulation volumes and applying it to much larger ones, opening the door to producing accurate Ly$α$ mock skies in volumes of Hubble size, as will be probed with DESI and future spectroscopic sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Verification of a specialized hydrodynamic simulation code for modeling deflagration and detonation of high explosives

A specialized hydrodynamic simulation code has been developed and verified for the simulation of one-dimensional unsteady problems involving the detonation and deflagration of high explosives. To model all the relevant physical processes in these problems, a code is required to simulate compressible hydrodynamics, unsteady thermal conduction, and chemical reactions with complex rate laws. Several verification exercises are presented which test the implementation of these capabilities. The code also requires models for physics processes such as equations of state and conductivity for pure materials and mixtures as well as rate laws for chemical reactions. Additional verification tests are required to ensure that these models are implemented correctly. Though this code is limited in the types of problems it can simulate, its computationally efficient formulation allows it to be used in calibration studies for reactive burn models for high explosives. Furthermore, this study demonstrates how a series of verification tests can be used to ensure that the various physics processes needed to simulate complex phenomenon can be tested to ensure that they are correctly implemented.

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 OSTI2025

A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations

We report on a methodology for performing laser ray-tracing in three spatial dimensions for radiation-hydrodynamics simulation codes. Our method, which is an extension of that developed in Haines et al., Comput. Fluids 201, 104478 (2020), utilizes an automatically generated separate mesh for the laser ray-tracing from the radiation-hydrodynamics mesh. This enables the laser mesh to be tailored to minimize ray noise with significantly fewer rays than would be required when the ray-tracing is performed on the radiation-hydrodynamics mesh, primarily by allowing the use of high-aspect-ratio cells that are not suitable for hydrodynamics solvers. For a planar target, we show that our method provides a ≈ 100× reduction in computational expense to achieve a fixed level of ray noise relative to ray-tracing directly on the radiation-hydrodynamics mesh. The relatively low ray requirement also enables efficient computation of cross-beam energy transfer. Each cell in the logically cubic laser mesh is a non-convex dodecahedron with triangular sides, and numerical integration of the ray trajectories and inverse bremsstrahlung is performed by mapping each cell to the unit cube. We will describe our methodology in detail as well as its implementation in the xRAGE radiation-hydrodynamics code, discuss performance, and present the results from applying the methodology to test problems with analytic solutions for laser ray-tracing through a quadratic density gradient with an analytic solution as well as for a laser-driven heat front. In 3D radiation-hydrodynamics simulations of laser-driven experiments performed on the National Ignition Facility, laser ray-tracing with our methodology uses less than 1% of total computational time while introducing acceptably low levels of ray noise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Hydrodynamic simulations of shock-driven chemistry in polyimide

Here, the development for equations of state both for polyimide and its reaction products is presented along with hydrodynamic simulations linking the two EOS through an Arrhenius rate law. The equations of state compare favorably to available data, and the hydrodynamic simulations are able to qualitatively reproduce many of the features seen in both legacy shock data and more modern embedded gauge data. However, quantitative agreement is not achieved, suggesting that new rate laws are needed to fully capture the effect of the reaction over a wide range of conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

High-precision Galaxy Clustering Predictions from Small-volume Hydrodynamical Simulations via Control Variates

Abstract Cosmological simulations of galaxy formation are an invaluable tool for understanding galaxy formation and its impact on cosmological parameter inference from large-scale structures. However, their high computational cost is a significant obstacle for running simulations that probe cosmological volumes comparable to those analyzed by contemporary large-scale structure experiments. In this work, we explore the possibility of obtaining high-precision galaxy clustering predictions from small-volume hydrodynamical simulations such as MillenniumTNG and FLAMINGO via control variates. In this approach, the hydrodynamical full-physics simulation is paired with a matched low-resolution gravity-only simulation. By learning the galaxy–halo connection from the hydrodynamical simulation and applying it to the gravity-only counterpart, one obtains a galaxy population that closely mimics the one in the more expensive simulation. One can then construct an estimator of galaxy clustering that combines the clustering amplitudes in the small-volume hydrodynamical and gravity-only simulations with clustering amplitudes in a large-volume gravity-only simulation. Depending on the galaxy sample, clustering statistic, and scale, this galaxy clustering estimator can have an effective volume of up to around 100 times the volume of the original hydrodynamical simulation in the nonlinear regime. With this approach, we can construct galaxy clustering predictions from existing simulations that are precise enough for mock analyses of next-generation large-scale structure surveys such as the Dark Energy Spectroscopic Instrument and the Legacy Survey of Space and Time.

Doytcheva, Alexandra (ORCID:0009000111254888)↗
DOE OSTI2019

Hydrodynamic Simulations of Moonlet-induced Propellers in Saturn’s Rings: Application to Blériot

One of the biggest successes of the Cassini mission is the detection of small moons (moonlets) embedded in Saturns rings that cause S-shaped density structures in their close vicinity, called propellers. Here, we present isothermal hydrodynamic simulations of moonlet-induced propellers in Saturn’s A ring that denote a further development of the original model. We find excellent agreement between these new hydrodynamic and corresponding N-body simulations. Furthermore, the hydrodynamic simulations confirm the predicted scaling laws and the analytical solution for the density in the propeller gaps. Finally, this mean field approach allows us to simulate the pattern of the giant propeller Blériot, which is too large to be modeled by direct N-body simulations. Our results are compared to two stellar occultation observations by the Cassini Ultraviolet Imaging Spectrometer (UVIS), which intersect the propeller Blériot. Best fits to the UVIS optical depth profiles are achieved for a Hill radius of 590 m, which implies a moonlet diameter of about 860 m. Furthermore, the model favors a kinematic shear viscosity of the surrounding ring material of ν {sub 0} = 340 cm{sup 2} s{sup −1}, a dispersion velocity in the range of 0.3 cm s{sup −1} < c {sub 0} < 1.5 cm s{sup −1}, and a fairly high bulk viscosity 7 < ξ {sub 0}/ν {sub 0} < 17. These large transport values might be overestimated by our isothermal ring model and should be reviewed by an extended model including thermal fluctuations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

METAL DIFFUSION IN SMOOTHED PARTICLE HYDRODYNAMICS SIMULATIONS OF DWARF GALAXIES

We perform a series of smoothed particle hydrodynamics simulations of isolated dwarf galaxies to compare different metal mixing models. In particular, we examine the role of diffusion in the production of enriched outflows and in determining the metallicity distributions of gas and stars. We investigate different diffusion strengths by changing the pre-factor of the diffusion coefficient, by varying how the diffusion coefficient is calculated from the local velocity distribution, and by varying whether the speed of sound is included as a velocity term. Stronger diffusion produces a tighter [O/Fe]–[Fe/H] distribution in the gas and cuts off the gas metallicity distribution function at lower metallicities. Diffusion suppresses the formation of low-metallicity stars, even with weak diffusion, and also strips metals from enriched outflows. This produces a remarkably tight correlation between “metal mass-loading” (mean metal outflow rate divided by mean metal production rate) and the strength of diffusion, even when the diffusion coefficient is calculated in different ways. The effectiveness of outflows at removing metals from dwarf galaxies and the metal distribution of the gas is thus dependent on the strength of diffusion. By contrast, we show that the metallicities of stars are not strongly dependent on the strength of diffusion, provided that some diffusion is present.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Inhomogeneous reionization models in cosmological hydrodynamical simulations

ABSTRACT In this work we present a new hybrid method to simulate the thermal effects of reionization in cosmological hydrodynamical simulations. The method improves upon the standard approach used in simulations of the intergalactic medium (IGM) and galaxy formation without a significant increase in the computational cost, thereby allowing for efficient exploration of the parameter space. The method uses a small set of phenomenological input parameters, and combines a seminumerical reionization model to solve for the topology of reionization with an approximate model of how reionization heats the IGM, using the massively parallel Nyx hydrodynamics code which is specifically designed to solve for the structure of diffuse IGM gas. We have produced several medium-scale, high-resolution simulations (20483, Lbox = 40 Mpc h−1) with various instantaneous and inhomogeneous ${\rm H \,{\small I}}$ reionization models that use this new methodology. We study the IGM thermal properties of these models and find that large-scale temperature fluctuations extend well beyond the end of reionization. By analysing the 1D flux power spectrum of these models, we find up to ${\sim } 50{{\ \rm per\ cent}}$ differences in the large-scale properties (low modes, k ≲ 0.01 s km−1) of the post-reionization power spectrum as a result of the thermal fluctuations. We show that these differences could allow one to distinguish between different reionization scenarios with existing Lyα forest measurements. Finally, we explore the differences in the small-scale cut-off of the power spectrum, finding that, for the same heat input, models show very good agreement provided that the reionization redshift of the instantaneous reionization model occurs at the midpoint of the inhomogeneous model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Hydrodynamic Simulations of the Central Molecular Zone with a Realistic Galactic Potential

We present hydrodynamic simulations of gas clouds inflowing from the disk to a few hundred parsec region of the Milky Way. A gravitational potential is generated to include realistic Galactic structures by using thousands of multipole expansions (MEs) that describe 6.4 million stellar particles of a self-consistent Galaxy simulation. We find that a hybrid ME model, with two different basis sets and a thick-disk correction, accurately reproduces the overall structures of the Milky Way. Through non-axisymmetric Galactic structures of an elongated bar and spiral arms, gas clouds in the disk inflow to the nuclear region and form a central molecular zone-like nuclear ring. We find that the size of the nuclear ring evolves into ∼240 pc at T∼1500 Myr, regardless of the initial size. For most simulation runs, the rate of gas inflow to the nuclear region is equilibrated to ∼0.02 M{sub ⊙} yr{sup −1}. The nuclear ring is off-centered, relative to the Galactic center, by the lopsided central mass distribution of the Galaxy model, and thus an asymmetric mass distribution of the nuclear ring arises accordingly. The vertical asymmetry of the Galaxy model also causes the nuclear ring to be tilted along the Galactic plane. During the first ∼100 Myr, the vertical frequency of the gas motion is twice that of the orbital frequency, thus the projected nuclear ring shows a twisted, ∞-like shape.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The effect of AGN feedback on the interstellar medium of early-type galaxies: 2D hydrodynamical simulations of the low-rotation case

We present two-dimensional hydrodynamical simulations for the evolution of early-type galaxies containing central massive black holes (MBHs), starting at an age of ≃2 Gyr. The code contains accurate and physically consistent radiative and mechanical active galactic nucleus (AGN) wind feedback, with parsec-scale central resolution. Mass input comes from stellar evolution; energy input includes Type Ia (SNIa) and II supernovae and stellar heating; star formation (SF) is included. Realistic, axisymmetric dynamical galaxy models are built solving the Jeans’ equations. The lowest mass models (M{sub ⋆}=8 10{sup 10} M{sub ⊙}) develop global outflows sustained by SNIa heating, ending with a lower amount of hot gas and new stars. In more massive models, nuclear outbursts last to the present epoch, with large and frequent fluctuations in nuclear emission and from the gas (L{sub X}). Each burst lasts ∼10{sup 7.5} years, during which cold, inflowing, and hot, outflowing gas phases coexist. The L{sub X}--T{sub X} relation for the gas matches that of local galaxies. AGN activity causes positive feedback for SF. Roughly half of the total mass loss is recycled into new stars (ΔM{sub ⋆}), just ≃3% of it is accreted on the MBH, the remainder being ejected from the galaxy. The ratio between the mass of gas expelled to that in new stars, the load factor, is ≃0.6. Rounder galaxy shapes lead to larger final MBH masses, ΔM{sub ⋆}, and L{sub X}. Almost all of the time is spent at very low nuclear luminosities, yet one quarter of the total energy is emitted at an Eddington ratio >0.1. The duty-cycle of AGN activity is approximately 4%.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (i) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (ii) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph; (iii) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (iv) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (vi) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Advances in constraining intrinsic alignment models with hydrodynamic simulations

We use galaxies from the illustristng, massiveblack-ii, and illustris-1 hydrodynamic simulations to investigate the behaviour of large scale galaxy intrinsic alignments. Our analysis spans four redshift slices over the approximate range of contemporary lensing surveys z = 0–1. We construct comparable weighted samples from the three simulations, which we then analyse using an alignment model that includes both linear and quadratic alignment contributions. Our data vector includes galaxy–galaxy, galaxy–shape, and shape–shape projected correlations, with the joint covariance matrix estimated analytically. In all of the simulations, we report non-zero IAs at the level of several σ. For a fixed lower mass threshold, we find a relatively strong redshift dependence in all three simulations, with the linear IA amplitude increasing by a factor of ~2 between redshifts z = 0 and z = 1. We report no significant evidence for non-zero values of the tidal torquing amplitude, A 2 , in TNG, above statistical uncertainties, although MBII favours a moderately negative A 2 ~ –2. Examining the properties of the TATT model as a function of colour, luminosity and galaxy type (satellite or central), our findings are consistent with the most recent measurements on real data. We also outline a novel method for constraining the TATT model parameters directly from the pixelized tidal field, alongside a proof-of-concept exercise using TNG. This technique is shown to be promising, although comparison with previous results obtained via other methods is non-trivial.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Connecting galaxy evolution in clusters with their radial profiles and phase space distribution: results from the IllustrisTNG hydrodynamical simulations

ABSTRACT We study the population of galaxies around galaxy clusters in the hydrodynamic simulation suite IllustrisTNG 300-1 to study the signatures of their evolutionary history on observable properties. We measure the radial number density profile, phase space distribution, and splashback radius for galaxies of different masses and colours over the redshift range z = 0−1. The three primary physical effects which shape the galaxy distribution within clusters are the galaxy quenching, angular momentum distribution, and dynamical friction. We find three distinct populations of galaxies by applying a Gaussian mixture model to their distribution in colour and mass. They have distinct evolutionary histories and leave distinct signatures on their distribution around cluster haloes. We find that low-mass red galaxies show the most concentrated distribution in clusters and the largest splashback radius, while high-mass red galaxies show a less concentrated distribution and a smaller splashback radius. Blue galaxies, which mostly quench into the low-mass red population, have the shallowest distribution within the clusters, with those on radial orbits quenched rapidly before reaching pericentre. Comparison with the distribution of galaxies from the Dark Energy Survey survey around Sunyaev–Zeldovich clusters from the Atacama Cosmology Telescope and South Pole Telescope surveys shows evidence for differences in galaxy evolution between simulations and data.

79 ASTRONOMY AND ASTROPHYSICS↗