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DOE OSTI2021

A HPC Theory-Guided Machine Learning Cyberinfrastructure for Communicating Hydrometeorological Data Across Scales

High-resolution predictions of hydrometeorological variables are critical for supporting hydropower generation decisions and flood control at hydroelectric power plants. Traditional climate and hydrologic models rely on the numerical simulation of detailed physical processes. Therefore, running these simulations is time-, labor-, and computation-intensive. Improving the spatial and temporal resolution in these modeling outputs could lead to cubic increases in both the simulation time and computational demands, rendering high-resolution hydrometeorological predictions expensive and impractical. Many past studies apply the super resolution (SR) technique to downscale climate models using deep learners. However, deep learners are deemed “black-boxes,” as their derivation processes from low-resolution outputs to high-resolution outputs are often hidden. Their results are difficult for domain scientists to interpret and validate. Thus, there is a need for an exploratory machine learning approach that can partially integrate domain-specific theory and knowledge into the data-driven mapping process between simulation outputs of different spatial scales. The domain-specific theory and knowledge can be incorporated into the data model through an inductive approach in which process-related environmental variables are used and analyzed as key drivers (i.e., environmental surrogates) to reflect the complex physical processes. Many of these variables, such as land use land cover, soil types, topography, digital elevation, air temperature, and various watershed characteristics, can be directly measured through sensors or remote sensing techniques. Additionally, SR applications that can downscale hydrological and hydrodynamics models to efficiently produce high-resolution (1 m) flood depth grids are still rare. Since the flood depth grid can be used to support critical decisions for flood control operation at hydroelectric power plants, it is crucial to enable an SR-based capability for interpolating high-resolution flood inundation maps.

13 HYDRO ENERGY↗

DOE OSTI2017

Optimized fluid dynamics for heavy ion collisions

The (viscous) anisotropic hydrodynamic approach, especially after perturbative inclusion of all residual viscous terms, has been shown to dramatically outperform viscous hydrodynamics in several simplified situations for which exact solutions exist but which share with realistic expansion scenarios the problem of large dissipative currents. Here we will report on the present status of applying viscous anisotropic hydrodynamics in a highly efficient simulation of the full three-dimensional quark-gluon plasma. Results from accelerated 3+1-dimensional viscous hydrodynamic simulations using graphics processing units will be compared to the anisotropic frameworks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Device-scale CFD modeling of gas-liquid multiphase flow and amine absorption for CO2 capture

In this paper we aim to develop a validated device-scale CFD model that can predict quantitatively both hydrodynamics and CO2 capture efficiency for an amine-based solvent absorber column with random Pall ring packing. A Eulerian porous-media approach and a two-fluid model were employed, in which the momentum and mass transfer equations were closed by literature-based empirical closure models. We proposed a hierarchical approach for calibrating the parameters in the closure models to make them accurate for the packed column. Specifically, a parameter for momentum transfer in the closure was first calibrated based on data from a single experiment. With this calibrated parameter, a parameter in the closure for mass transfer was next calibrated under a single operating condition. Last, the closure of the wetting area was calibrated for each gas velocity at three different liquid flow rates. For each calibration, cross validations were pursued using the experimental data under operating conditions different from those used for calibrations. This hierarchical approach can be generally applied to develop validated device-scale CFD models for different absorption columns.

Pan, Wenxiao↗

NASA NTRS1988

The 1988 overview of free-piston Stirling technology for space power at the NASA Lewis Research Center

The completion of the Space Power Demonstrator Engine (SPDE) testing is discussed, terminating with the generation of 25 kW of engine power from a dynamically-balanced opposed-piston Stirling engine at a temperature ratio of 2.0. Engine efficiency was greater than 22 percent. The SPDE recently was divided into 2 separate single cylinder engines, Space Power Research Engine (SPRE), that serves as test beds for the evaluation of key technology disciplines, which include hydrodynamic gas bearings, high efficiency linear alternators, space qualified heat pipe heat exchangers, oscillating flow code validation, and engine loss understanding. The success of the SPDE at 650 K has resulted in a more ambitious Stirling endeavor, the design, fabrication, test, and evaluation of a designed-for-space 25 kW per cylinder Stirling Space Engine (SSE) to operate at a hot metal temperature of 1050 K using superalloy materials. This design is a low temperature confirmation of the 1300 K design. It is the 1300 K free-piston Stirling power conversion system that is the ultimate goal. The first two phases of this program, the 650 K SPDE and the 1050 K SSE are emphasized.

Slaby, Jack G.↗

NASA NTRS1978

Fluid mechanics of continuous flow electrophoresis

The following aspects of continuous flow electrophoresis were studied: (1) flow and temperature fields; (2) hydrodynamic stability; (3) separation efficiency, and (4) characteristics of wide gap chambers (the SPAR apparatus). Simplified mathematical models were developed so as to furnish a basis for understanding the phenomena and comparison of different chambers and operating conditions. Studies of the hydrodynamic stability disclosed that a wide gap chamber may be particularly sensitive to axial temperature variations which could be due to uneven heating or cooling. The mathematical model of the separation process includes effects due to the axial velocity, electro-osmotic cross flow and electrophoretic migration, all including the effects of temperature dependent properties.

Saville, D. A.↗

DOE OSTI2017

Minidisks in Binary Black Hole Accretion

Newtonian simulations have demonstrated that accretion onto binary black holes produces accretion disks around each black hole (“minidisks”), fed by gas streams flowing through the circumbinary cavity from the surrounding circumbinary disk. We study the dynamics and radiation of an individual black hole minidisk using 2D hydrodynamical simulations performed with a new general relativistic version of the moving-mesh code Disco. We introduce a comoving energy variable that enables highly accurate integration of these high Mach number flows. Tidally induced spiral shock waves are excited in the disk and propagate through the innermost stable circular orbit, providing a Reynolds stress that causes efficient accretion by purely hydrodynamic means and producing a radiative signature brighter in hard X-rays than the Novikov–Thorne model. Disk cooling is provided by a local blackbody prescription that allows the disk to evolve self-consistently to a temperature profile where hydrodynamic heating is balanced by radiative cooling. We find that the spiral shock structure is in agreement with the relativistic dispersion relation for tightly wound linear waves. We measure the shock-induced dissipation and find outward angular momentum transport corresponding to an effective alpha parameter of order 0.01. We perform ray-tracing image calculations from the simulations to produce theoretical minidisk spectra and viewing-angle-dependent images for comparison with observations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Metallic Winds in Dwarf Galaxies

We present results from models of galactic winds driven by energy injected from nuclear (at the galactic center) and non-nuclear starbursts. The total energy of the starburst is provided by very massive young stellar clusters, which can push the galactic interstellar medium and produce an important outflow. Such outflow can be a well or partially mixed wind, or a highly metallic wind. We have performed adiabatic 3D N -Body/Smooth Particle Hydrodynamics simulations of galactic winds using the gadget-2 code. The numerical models cover a wide range of parameters, varying the galaxy concentration index, gas fraction of the galactic disk, and radial distance of the starburst. We show that an off-center starburst in dwarf galaxies is the most effective mechanism to produce a significant loss of metals (material from the starburst itself). At the same time, a non-nuclear starburst produces a high efficiency of metal loss, in spite of having a moderate to low mass loss rate.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Insights from Synthetic Star-forming Regions. I. Reliable Mock Observations from SPH Simulations

Through synthetic observations of a hydrodynamical simulation of an evolving star-forming region, we assess how the choice of observational techniques affects the measurements of properties that trace star formation. Testing and calibrating observational measurements requires synthetic observations that are as realistic as possible. In this part of the series (Paper I), we explore different techniques for mapping the distributions of densities and temperatures from the particle-based simulations onto a Voronoi mesh suitable for radiative transfer and consequently explore their accuracy. We further test different ways to set up the radiative transfer in order to produce realistic synthetic observations. We give a detailed description of all methods and ultimately recommend techniques. We have found that the flux around 20 μ m is strongly overestimated when blindly coupling the dust radiative transfer temperature with the hydrodynamical gas temperature. We find that when instead assuming a constant background dust temperature in addition to the radiative transfer heating, the recovered flux is consistent with actual observations. We present around 5800 realistic synthetic observations for Spitzer and Herschel bands, at different evolutionary time-steps, distances, and orientations. In the upcoming papers of this series (Papers II, III, and IV), we will test and calibrate measurements of the star formation rate, gas mass, and the star formation efficiency using our realistic synthetic observations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

THE FORMATION OF SECONDARY STELLAR GENERATIONS IN MASSIVE YOUNG STAR CLUSTERS FROM RAPIDLY COOLING SHOCKED STELLAR WINDS

We study a model of rapidly cooling shocked stellar winds in young massive clusters and estimate the circumstances under which secondary star formation, out of the reinserted winds from a first stellar generation (1G), is possible. We have used two implementations of the model: a highly idealized, computationally inexpensive, spherically symmetric semi-analytic model, and a complex, three-dimensional radiation-hydrodynamic, simulation; they are in a good mutual agreement. The results confirm our previous findings that, in a cluster with 1G mass 10{sup 7} M {sub ⊙} and half-mass–radius 2.38 pc, the shocked stellar winds become thermally unstable, collapse into dense gaseous structures that partially accumulate inside the cluster, self-shield against ionizing stellar radiation, and form the second generation (2G) of stars. We have used the semi-analytic model to explore a subset of the parameter space covering a wide range of the observationally poorly constrained parameters: the heating efficiency, η {sub he}, and the mass loading, η {sub ml}. The results show that the fraction of the 1G stellar winds accumulating inside the cluster can be larger than 50% if η {sub he} ≲ 10%, which is suggested by the observations. Furthermore, for low η {sub he}, the model provides a self-consistent mechanism predicting 2G stars forming only in the central zones of the cluster. Finally, we have calculated the accumulated warm gas emission in the H30 α recombination line, analyzed its velocity profile, and estimated its intensity for super star clusters in interacting galaxies NGC4038/9 (Antennae) showing that the warm gas should be detectable with ALMA.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Nonequilibrium effects and transverse spherocity in ultrarelativistic proton-nucleus collisions

We investigate the effects of nonequilibrium dynamics in small colliding systems by comparing a nonequilibrium transport approach, Parton-Hadron-String Dynamics (PHSD), with a (2+1)-dimensional viscous hydrodynamic model, VISHNew. Focusing on p + Pb collisions at energies available at the Large Hadron Collider, we extract the initial conditions for the hydrodynamic model from PHSD, in order to reduce the impact of the early out-of-equilibrium dynamics and focus on the traces of nonequilibrium in the ensuing medium evolution. We find that in the transport approach quantities like energy density and bulk viscous pressure are highly inhomogeneous on the transverse plane during the whole evolution, whereas the hydrodynamic simulations dissolve more efficiently the initial spatial irregularities, still keeping a high degree of inhomogeneity due to the smaller size and lifetime of the medium produced in p + Pb collisions with respect to heavy-ion reactions. As a first step that will help to identify the impact of these nonequilibrium effects on final observables in proton-nucleus collisions, we perform an analysis of the transverse spherocity, an event-shape observable able to distinguish between jetty and isotropic configurations of transverse momenta. We found that the spherocity distribution in PHSD is slightly shifted towards the isotropic limit with respect to the hydrodynamic result. Even though this dissimilarity is partially due to the difference in the final charged particle production, it mainly comes from the different description within the two frameworks of the medium produced in small colliding systems. This finding supports the idea that multidifferential measurements, such as those based on event categorization according to multiplicity and spherocity, are useful to study final-state observables in ultrarelativistic proton-nucleus collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Efficiency of Metal Mixing in Dwarf Galaxies

Metal mixing plays a critical role in the enrichment of metals in galaxies. The abundance of elements such as Mg, Fe, and Ba in metal-poor stars helps us understand the metal mixing in galaxies. However, the efficiency of metal mixing in galaxies is not yet understood. Here we report a series of N -body/smoothed particle hydrodynamics simulations of dwarf galaxies with different efficiencies of metal mixing using a turbulence-induced mixing model. We show that metal mixing apparently occurs in dwarf galaxies from Mg and Ba abundances. We find that a scaling factor for metal diffusion larger than 0.01 is necessary to reproduce the measured abundances of Ba in dwarf galaxies. This value is consistent with the value expected from turbulence theory and experiments. We also find that the timescale of metal mixing is less than 40 Myr. This timescale is shorter than the typical dynamical times of dwarf galaxies. We demonstrate that the determination of a degree of scatters of Ba abundance by the observation will help us to better constrain the efficiency of metal mixing.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Multi-material hydrodynamics with algebraic sharp interface capturing

A finite volume method for Eulerian multi-material hydrodynamics with sharp interface capturing is presented here. The pressure-temperature non-equilibrium multi-material system with finite-rate pressure relaxation in mixed-cells is considered here. This pressure closure facilitates material-property-dependent pressure relaxation, rather than instantaneous pressure equilibration, which in turn allows the use of unsplit high-order time-integrators. A modified tangent of hyperbola for interface capturing (THINC) method is used to reconstruct multi-material (> 2) interfaces, on three-dimensional unstructured meshes. A simple modification which extends the THINC reconstruction to interfaces between more than two materials is proposed. It is demonstrated that the modified THINC can capture multi-material interfaces within 2–4 tetrahedral cells. Since no geometric reconstructions are required by the THINC method, the presented multi-material method is algorithmically simple, and computationally efficient. Consistent reconstructions of conserved quantities at material interfaces ensure that conservation and closure laws are satisfied at the discrete level. Through a suite of test problems solved on unstructured meshes, it is demonstrated that the presented method is a promising candidate for accurate and efficient multi-material hydrodynamics computations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

The realm of the galactic globular clusters and the mass of their primordial clouds

By adopting the empirical constraints related to the estimates of helium enhancement (ΔY), the present mass ratio between first and second stellar generations (M{sub 1G}/M{sub 2G}), and the actual mass of Galactic globular clusters (M {sub GC}), we envisage a possible scenario for the formation of these stellar systems. Our approach allows for the possible loss of stars through evaporation or tidal interactions and different star-formation efficiencies. In our approach, the star-formation efficiency of the first generation (ϵ {sub 1G}) is the central factor that links the stellar generations because it not only defines both the mass in stars of the first generation and the remaining mass available for further star formation, but it also fixes the amount of matter required to contaminate the second stellar generation. In this way, ϵ {sub 1G} is fully defined by the He enhancement between successive generations in a GC. We also show that globular clusters fit well within a ΔY versus M{sub 1G}/M{sub 2G} diagram that indicates three different evolutionary paths. The central one is for clusters that have not lost stars through tidal interactions from either of their stellar generations, and thus their present M {sub GC} value is identical to the amount of low-mass stars (M {sub *} ≤ 1 M {sub ⊙}) that resulted from both stellar generations. Other possible evolutions imply either the loss of first-generation stars or the combination of a low star-formation efficiency in the second stellar generation and a loss of stars from the second generation. From these considerations, we derive a lower limit to the mass (M {sub tot}) of the individual primordial clouds that gave origin to globular clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

INFERENCE OF HEATING PROPERTIES FROM “HOT” NON-FLARING PLASMAS IN ACTIVE REGION CORES. II. NANOFLARE TRAINS

Despite its prediction over two decades ago, the detection of faint, high-temperature (“hot”) emission due to nanoflare heating in non-flaring active region cores has proved challenging. Using an efficient two-fluid hydrodynamic model, this paper investigates the properties of the emission expected from repeating nanoflares (a nanoflare train) of varying frequency as well as the separate heating of electrons and ions. If the emission measure distribution (EM(T)) peaks at T = T{sub m} , we find that EM(T{sub m}) is independent of details of the nanoflare train, and EM(T) above and below T{sub m} reflects different aspects of the heating. Below T{sub m} , the main influence is the relationship of the waiting time between successive nanoflares to the nanoflare energy. Above T{sub m}, power-law nanoflare distributions lead to an extensive plasma population not present in a mono-energetic train. Furthermore, in some cases, characteristic features are present in EM(T). Such details may be detectable given adequate spectral resolution and a good knowledge of the relevant atomic physics. In the absence of such resolution we propose some metrics that can be used to infer the presence of “hot” plasma.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

An efficient hybrid downscaling framework to estimate high-resolution river hydrodynamics

Flow depth and velocity are the most important hydrodynamic variables that govern various river functions, including water resources, navigation, sediment transport, and biogeochemical cycling. Existing high-resolution flow depth simulations rely on either computationally expensive river hydrodynamic models (RHMs) or data-driven models with formidable training costs, whereas data-driven modeling of flow velocity has rarely been explored. Here, using the hybrid Low-fidelity, Spatial analysis, and Gaussian process learning (LSG) model, we developed a downscaling approach to construct high-resolution flow depth and velocity from a two-dimensional (2-D) RHM simulation at coarse resolution. The LSG models were trained and tested in an urban watershed in Houston using two different hurricane-driven flood events. The high-resolution (as fine as 30 m resolution) and low-resolution (mostly 1000 m resolution) meshes include 664 724 and 14 536 grid cells, respectively. The results showed that through downscaling, the simulation errors were reduced to less than one-fourth and one-third of the errors of the low-resolution 2-D RHM for flow depth and velocity, respectively. Our analysis further revealed that the dominant uncertainty sources of the downscaled hydrodynamics are different, with flow velocity dominated by the dimensionality reduction error, which we reduced by using a regionalized training procedure. The downscaling approach achieves an 84-fold acceleration in computational time compared to the high-resolution 2-D RHM, making high-fidelity ensemble flood modeling feasible. More importantly, the developed method provides an opportunity to couple large-scale hydrodynamical processes with local physical, chemical, and biological processes in river models.

Tan, Zeli [Pacific Northwest National Laboratory (↗

NASA NTRS2023

Multiphysics Modeling of Electrode Dissolution under Hydrodynamic Conditions in Low Conductivity Water

Efficient plug-flow electrochemical reactors are characterized by their ability to effectively convert species with significant ionic strength and/or with the assistance of a well-behaved electrolyte. Because of the classic electroconductivity requirement, electrochemical reactors are not particularly attractive options for applications with low-conductivity conditions, especially for low-pressure feeds. However, these reactors can still find application in dedicated processes such as ultra-clean water conditioning and biological-coupled separation systems. Consequently, a multi-physics model was developed using COMSOL Multiphysics to characterize different reactor-design conditions based on the Tertiary Current Distribution which accounts for the effects of expected variations in electrolyte composition and ionic strength on the electrochemical process, as well as solution resistance and electrode kinetics. The modelling framework presented here employs single-phase laminar fluid flow, the Nernst-Planck equation, the water-based electroneutrality condition, and concentration-dependent overpotentials. This investigation particularly explores the electrolysis process of “anodic dissolution,” in which elemental species dissociate from the solid matrix of the electrode and enter the liquid phase of the electrolyte as soluble ions. The reactor configuration of interest has a rectangular parallel-electrode design and is operated galvanostatically. A series of parametric studies are carried out to inspect the response of the system when hydrodynamic, kinetic, and geometric conditions are changed. The parametric sweep resulted in variable effluent concentrations and system voltage, which reveal underlaying optimization patterns for electrode dissolution in low conductivity water.

Multiphysics↗

DOE OSTI2019

High-Efficiency Axial Pumps for Reactor Use

The flow of viscous liquid in highly efficient commercial axial pumps is hydrodynamically analyzed. Design recommendations are made regarding the flow sections of the pump, so as to ensure a pressure characteristic with no descending section and efficient coolant circulation in a fast-neutron reactor.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Strategies to Recover Easily-Extractable Rare Earth Elements and Other Critical Metals from Coal Waste Streams and Adjacent Rock Strata Using Citric Acid

Maximum rare earth element (REE) extractability from a sample of Middle Kittanning coal seam underclay was previously demonstrated at ~30% of the total REE content with a citric acid solution (Montross et al., 2020). This report further refines the mechanisms of citrate application for leaching of coal seam underclays using an organic acid lixiviant and evaluates strategies to begin to scale this process to industrially relevant volumes. This study evaluates the suitability of citrate leaching solutions for downstream recovery and separation of the REEs via oxalic acid precipitation. The applicability of citric acid solutions to recover ion-adsorbed metals from clay surfaces was evaluated by leaching a prepared sample of kaolinite with known amounts of ion-adsorbed lanthanum. Citrate systematics was further defined through experiments varying the solution pH. Up-scaling investigations proceeded with percolation leaching columns and stirred tank reactors. Two embodiments were run in percolation leaching: a continuous flow-through process and a multi-stage saturated process. The results showed that in certain limited scenarios, low pH citrate solutions could be used to target REEs mineralized within secondary calcium phosphate minerals. Results from the upscaling attempts encountered difficulties in extraction efficiencies. For the percolation columns, hydrodynamic flow was insufficient to recover the extractable REE content fully. For the stirred barrels, mixing inefficiencies likely inhibited the extractability of the REEs. Oxalic acid precipitation experiments also highlighted difficulties in downstream operations. The REEs were removed from the citrate solution with high efficiency, but were accompanied by equally efficient removal of calcium in orders of magnitude of greater amounts. Overall, for citrate leaching to be effective, future studies will have to: 1) carefully consider the feedstock application (i.e., likely better suited for secondary mineralization of calcium phosphate minerals), and 2) overcome the technical barriers of large-scale processing, such as inefficient hydrodynamic regimes due to small crush sizes needed and difficulties in downstream separation and purification. Alternatively, citrate solutions may be better recommended as leaching amendments to other leaching solutions to enhance REE complexation in the solution.

01 COAL, LIGNITE, AND PEAT↗