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DOE OSTI2022

Novel fabrication tools for dynamic compression targets with engineered voids using photolithography methods

Mesoscale imperfections, such as pores and voids, can strongly modify the properties and the mechanical response of materials under extreme conditions. Tracking the material response and microstructure evolution during void collapse is crucial for understanding its performance. In particular, imperfections in the ablator materials, such as voids, can limit the efficiency of the fusion reaction and ultimately hinder ignition. To characterize how voids influence the response of materials during dynamic loading and seed hydrodynamic instabilities, we, in this paper, have developed a tailored fabrication procedure for designer targets with voids at specific locations. Our procedure uses SU-8 as a proxy for the ablator materials and hollow silica microspheres as a proxy for voids and pores. By using photolithography to design the targets’ geometry, we demonstrate precise and highly reproducible placement of a single void within the sample, which is key for a detailed understanding of its behavior under shock compression. This fabrication technique will benefit high-repetition rate experiments at x-ray and laser facilities. Insight from shock compression experiments will provide benchmarks for the next generation of microphysics modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Low Mach number fluctuating hydrodynamics model for ionic liquids

We present a new mesoscale model for ionic liquids based on a low Mach number fluctuating hydrodynamics formulation for multicomponent charged species. The low Mach number approach eliminates sound waves from the fully compressible equations leading to a computationally efficient incompressible formulation. The model uses a Gibbs free energy functional that includes enthalpy of mixing, interfacial energy, and electrostatic contributions. These lead to a new fourth-order term in the mass equations and a reversible stress in the momentum equations. We calibrate our model using parameters for [DMPI+][F6P-], an extensively-studied room temperature ionic liquid (RTIL), and numerically demonstrate the formation of mesoscopic structuring at equilibrium in two and three dimensions. In simulations with electrode boundaries the measured double layer capacitance decreases with voltage, in agreement with theoretical predictions and experimental measurements for RTILs. Finally, we present a shear electroosmosis example to demonstrate that the methodology can be used to model electrokinetic flows.

42 ENGINEERING↗

DOE OSTI2019

Experimental Validation of Dense Plasma Transport Models using the Z-Machine

Mixing of cold, higher-Z elements into the fuel region of an inertial confinement fusion target spoils the fusion burn efficiency. This mixing process is driven by both "turbulent" and "atomic" mixing processes, the latter being modeled through transport corrections to the basic hydrodynamic models. Recently, there has been a surge in the development of dense plasma transport modeling and the associated transport coefficients; however, experimental validation remains in its infancy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

How Population III Supernovae Determined the Properties of the First Galaxies

Abstract Massive Population III stars can die as energetic supernovae that enrich the early Universe with metals and determine the properties of the first galaxies. With masses of about 10 9 M ⊙ atz≳ 10, these galaxies are believed to be the ancestors of the Milky Way. This paper investigates the impact of Population III supernova remnants (SNRs) from both Salpeter-like and top-heavy initial mass functions (IMFs) on the formation of first galaxies with high-resolution radiation-hydrodynamical simulations with theENZOcode. Our findings indicate that SNRs from a top-heavy Population III IMF produce more metals, leading to more efficient gas cooling and earlier Population II star formation in the first galaxies. From a few hundred to a few thousand Population II stars can form in the central regions of these galaxies. These stars have metallicities of 10 −3 –10 −2 ,Z ⊙ , greater than those of extremely metal-poor (EMP) stars. Their mass function follows a power-law distribution with dN ( M * ) / dM * ∝ M * α , whereM * is stellar mass, andα= 2.66–5.83 and is steeper for a top-heavy IMF. We thus find that EMP stars were not typical of most primitive galaxies.

Astronomy & Astrophysics↗

NASA NTRS1989

Models of Pluto's upper atmosphere

Best guesses as to the thermal structure and composition of Pluto's atmosphere have led to speculations of substantial loss rates of methane from the planet over cosmogonic time scales. Results from recent stellar occultation measurements, and using a Parker-type hydrodynamic calculation, show that the loss rates may actually be lower by as much as a factor of about 5, depending upon the efficiency of heating of the atmosphere via the absorption of solar EUV and upon the true atmospheric composition, if the thermal structure of the upper atmosphere is properly taken into account. The loss rate may even be less (by another factor of about 10) if there is minimal heating of the upper atmosphere.

Mcnutt, Ralph L., Jr.↗

DOE OSTI2025

Mechanistic understanding of carbon mineralization in fracture systems using microfluidics

Carbon mineralization in mafic and ultramafic rocks presents an opportunity for permanent carbon storage in the Earth's subsurface. However, due to their lower permeability, pre-existing fracture networks are key for mineralization to occur. Therefore, to fully develop this technology, a mechanistic understanding of the mineralization behavior in fractures with the consideration of hydrodynamic components is required. We use high-pressure microfluidics to investigate key mechanisms influencing dissolution–precipitation in a fracture network. The experiments were conducted in micromodels made of natural rocks with a comb-shaped flow channel to mimic a fracture network. This enabled studying the effect of injection rate on coupled dissolution–precipitation in advection and diffusion-dominated flow paths. We used gypsum carbonation as an analog reaction to allow for realistic experimental time frames due to its rapid reaction kinetics. The experimental work is coupled with high-fidelity numerical simulations to enhance our understanding of the parameters affecting the mineralization reaction. Our results demonstrate the importance of flow rate on the rate and nature of the gypsum carbonation reaction revealing that higher flow rates enable deeper penetration of the mineral precipitation front into the dead-end channels. This is an important finding since for sustained mineralization in a fracture network, precipitation in dead-ends while still allowing for flowing fractures is critical. Detailed characterization of the precipitates showed that lower flow rates led to porous and loose precipitates in the form of aragonite while higher flow rates mimicked supersaturation behavior leading to the formation of calcite. The reactive transport simulations further demonstrated the significance of flow velocity in advection-dominated channels to influence the efficiency of carbon mineralization in diffusion-dominated channels, potentially clogging of dead-end channels. These findings highlight the need for coupling chemical, mechanical, and hydrodynamic processes to evaluate the nature and extent of carbon mineralization in fractured media critical for permanent storage in mafic and ultramafic formations. This research further highlights the need for more investigation in potential subsurface fracture generation techniques to aid carbon mineralization.

25 ENERGY STORAGE↗

DOE OSTI2023

Design, Manufacture, and Testing of an Open-Source Benchmark Composite Hydrokinetic Turbine Blade: Preprint

In a trend toward clean energy alternatives, recent years have seen great strides in the marine energy space. Consequently, there is a pressing need for the design, development, and validation of novel energy harvesting technologies such as hydrokinetic devices, which capture kinetic energy from waves, tides, and currents. However, these devices span numerous concepts and designs that often lack solid benchmark research that can be freely referenced throughout their development. This work focuses on the design process of an open-source composite hydrokinetic turbine blade for a three-bladed marine turbine rotor assembly with a diameter of 2.5 m. The proposed blade consists of two structural composite skins that are bonded with an adhesive and filled with a foam core. This study also explores and contrasts the efficiency and resolution of low-fidelity rapid design methodologies and comprehensive high-fidelity approaches in the context of blade design, modeling, and analysis efforts, a key objective in this research. Blade hydrodynamic loads were modeled and applied to finite-element blade models to study deformations and potential failure. Ongoing and upcoming efforts will result in blade manufacture and structural testing at the National Renewable Energy Laboratory. In future work, multiple blades will be deployed at the Living Bridge site at the University of New Hampshire and will be compared to rigid aluminum blades of the same geometry, developed by Sandia National Laboratories. Ultimately, this research will lay foundational groundwork for researchers and manufacturers, establishing a baseline composite blade design that will serve as a benchmark in the development of future hydrokinetic turbine blades.

blade design↗

NASA NTRS2003

Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows, I: Basic Theory

The objective of this paper is to extend our recently developed highly parallelizable nonlinear stable high order schemes for complex multiscale hydrodynamic applications to the viscous MHD equations. These schemes employed multiresolution wavelets as adaptive numerical dissipation controls t o limit the amount of and to aid the selection and/or blending of the appropriate types of dissipation to be used. The new scheme is formulated for both the conservative and non-conservative form of the MHD equations in curvilinear grids. The four advantages of the present approach over existing MHD schemes reported in the open literature are as follows. First, the scheme is constructed for long-time integrations of shock/turbulence/combustion MHD flows. Available schemes are too diffusive for long-time integrations and/or turbulence/combustion problems. Second, unlike exist- ing schemes for the conservative MHD equations which suffer from ill-conditioned eigen- decompositions, the present scheme makes use of a well-conditioned eigen-decomposition obtained from a minor modification of the eigenvectors of the non-conservative MHD equations t o solve the conservative form of the MHD equations. Third, this approach of using the non-conservative eigensystem when solving the conservative equations also works well in the context of standard shock-capturing schemes for the MHD equations. Fourth, a new approach to minimize the numerical error of the divergence-free magnetic condition for high order schemes is introduced. Numerical experiments with typical MHD model problems revealed the applicability of the newly developed schemes for the MHD equations.

Sjoegreen, Bjoern↗

DOE OSTI2016

A common origin for globular clusters and ultra-faint dwarfs in simulations of the first galaxies

In this paper, the first in a series on galaxy formation before reionization, we focus on understanding what determines the size and morphology of stellar objects in the first low-mass galaxies, using parsec-scale cosmological simulations performed with an adaptive mesh hydrodynamics code. Although the dense gas in which stars are formed tends to have a disk structure, stars are found in spheroids with little rotation. Halos with masses between 10{sup 6} M{sub ⊙} and 5×10{sup 8} M{sub ⊙} form stars stochastically, with stellar masses in the range 10{sup 4} M{sub ⊙} to 2×10{sup 6} M{sub ⊙}. We observe, nearly independent of stellar mass, a large range of half-light radii for the stars, from a few parsecs to a few hundred parsecs and surface brightnesses and mass-to-light ratios ranging from those typical of globular clusters to ultra-faint dwarfs. In our simulations, stars form in dense stellar clusters with high gas-to-star conversion efficiencies and rather uniform metallicities. A fraction of these clusters remain bound after the gas is removed by feedback, but others are destroyed, and their stars, which typically have velocity dispersions of 20–40 km s{sup −1}, expand until they become bound by the dark matter halo. We thus speculate that the stars in ultra-faint dwarf galaxies may show kinematic and chemical signatures consistent with their origin in a few distinct stellar clusters. On the other hand, some globular clusters may form at the center of primordial dwarf galaxies and may contain dark matter, perhaps detectable in the outer parts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Dust trapping by vortices in transitional disks: evidence for non-ideal magnetohydrodynamic effects in protoplanetary disks

We study particle trapping at the edge of a gap opened by a planet in a protoplanetary disk. In particular, we explore the effects of turbulence driven by the magnetorotational instability on particle trapping, using global three-dimensional magnetohydrodynamic (MHD) simulations including Lagrangian dust particles. We study disks either in the ideal MHD limit or dominated by ambipolar diffusion (AD) which plays an essential role at the outer regions of a protoplanetary disk. With ideal MHD, strong turbulence (the equivalent viscosity parameter α ∼ 10{sup –2}) in disks prevents vortex formation at the edge of the gap opened by a 9 M{sub J} planet, and most particles (except the particles that drift fastest) pile up at the outer gap edge almost axisymmetrically. When AD is considered, turbulence is significantly suppressed (α ≲ 10{sup –3}), and a large vortex forms at the edge of the planet induced gap, which survives ∼1000 orbits. The vortex can efficiently trap dust particles that span 3 orders of magnitude in size within 100 planetary orbits. We have also carried out two-dimensional hydrodynamical (HD) simulations using viscosity as an approximation to MHD turbulence. These HD simulations can reproduce vortex generation at the gap edge as seen in MHD simulations. Finally, we use our simulation results to generate synthetic images for ALMA dust continuum observations on Oph IRS 48 and HD 142527, which show good agreement with existing observations. Predictions for future ALMA cycle 2 observations have been made. We conclude that the asymmetry in ALMA observations can be explained by dust trapping vortices and the existence of vortices could be the evidence that the outer protoplanetary disks are dominated by AD with α < 10{sup –3} at the disk midplane.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

2021 Summer SPE Project

SPE is a project in order to develop new, more physics-based, seismic models of explosions (see Nelson et al. 2013). One key component of this effort is numerical modeling enabled by modern state-of-art code/software. Accurate modeling of the shape and amplitude of seismic waves from their generation to their propagation to remote monitoring seismic stations is important to our ability to determine the origin and strength of the source from remote recording. In this project, the modeling is performed by coupling two codes HOSS and SPECFEM3D. HOSS models the dynamic nonlinear processes happening near the explosion. SPECFEM3D computes the propagation of seismic waves as they travel through 3D complex Earth models. SPECFEM3D was modified in order to be driven by a set of time-series calculated by HOSS in lieu of a seismic source. The goal of this summer project is the investigation of several questions pertinent to the establishment of a full end-to-end modeling capability from the high-rate strain regime area to remote distances where seismic station record seismic waves generated by explosions. The investigated questions are: (1) How to perform proper filtering? Direct-solution modeling only sustains a limited range of frequency depending on the grid size. As we go from one modeling domain to the other via coupling, the mesh size is getting coarser to allow modeling at large scale but also to account for the fact that high-frequency waves do not physically travel to large distances. So filtering of the time-series generated by the near-field hydrodynamic modeling is a current practice often employed but its effects on the modeled waveforms has to be investigated. (2) Quantitative assessment of the efficiency of attenuation to remove high-frequency content of the wavefield. This assessment will allow to create meshes with a grid size appropriate to the actual physics of wave propagation for a given explosion. (3) Checking that the coupling process and the two codes respect the cylindrical symmetry that is expected in the case of a pure explosion in a half-space. (4) The effect of the state-of-stress in the near-source area on the modeled seismic waveforms. These questions will be investigated through the modeling of SPE-4P, the fourth explosion of this series because it was designed to have little interaction with the geologic surrounding and the free surface of the Earth so that it is the most explosion-like experiment, with the most symmetries to be verified.

58 GEOSCIENCES↗

DOE OSTI2017

Novel volumetric method for highly repeatable injection in microchip electrophoresis

A novel injector for microchip electrophoresis (MCE) has been designed and evaluated that achieves very high repeatability of injection volume suitable for quantitative analysis. It eliminates the injection biases in electrokinetic injection and the dependence on pressure and sample properties in hydrodynamic injection. The microfluidic injector, made of poly(dimethylsiloxane) (PDMS), operates similarly to an HPLC injection valve. It contains a channel segment (chamber) with a well-defined volume that serves as an “injection loop”. Using on-chip microvalves, the chamber can be connected to the sample source during the “loading” step, and to the CE separation channel during the “injection” step. Once the valves are opened in the second state, electrophoretic potential is applied to separate the sample. For evaluation and demonstration purposes, the microinjector was connected to a 75 μm ID capillary and UV absorbance detector. For single compounds, a relative standard deviation (RSD) of peak area as low as 1.04% (n = 11) was obtained, and for compound mixtures, RSD as low as 0.40% (n = 4) was observed. Using the same microchip, the performance of this new injection technique was compared to hydrodynamic injection and found to have improved repeatability and less dependence on sample viscosity. Furthermore, a non-radioactive version of the positron-emission tomography (PET) imaging probe, FLT, was successfully separated from its known 3 structurally-similar byproducts with baseline resolution, demonstrating the potential for rapid, quantitative analysis of impurities to ensure the safety of batches of short-lived radiotracers. Both the separation efficiency and injection repeatability were found to be substantially higher when using the novel volumetric injection approach compared to electrokinetic injection (performed in the same chip). This novel microinjector provides a straightforward way to improve the performance of hydrodynamic injection and enables extremely repeatable sample volume injection in MCE. It could be used in any MCE application where volume repeatability is needed, including the quantitation of impurities in pharmaceutical or radiopharmaceutical samples.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Fluctuating hydrodynamics of reactive liquid mixtures

Fluctuating hydrodynamics (FHD) provides a framework for modeling microscopic fluctuations in a manner consistent with statistical mechanics and nonequilibrium thermodynamics. This paper presents an FHD formulation for isothermal reactive incompressible liquid mixtures with stochastic chemistry. Fluctuating multispecies mass diffusion is formulated using a Maxwell-Stefan description without assuming a dilute solution, and momentum dynamics is described by a stochastic Navier-Stokes equation for the fluid velocity. We consider a thermodynamically consistent generalization for the law of mass action for non-dilute mixtures and use it in the chemical master equation (CME) to model reactions as a Poisson process. The FHD approach provides remarkable computational efficiency over traditional reaction-diffusion master equation methods when the number of reactive molecules is large, while also retaining accuracy even when there are as few as ten reactive molecules per hydrodynamic cell. We present a numerical algorithm to solve the coupled FHD and CME equations and validate it on both equilibrium and nonequilibrium problems. We simulate a diffusively driven gravitational instability in the presence of an acid-base neutralization reaction, starting from a perfectly flat interface. We demonstrate that the coupling between velocity and concentration fluctuations dominates the initial growth of the instability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

EVOLUTION OF STELLAR-TO-HALO MASS RATIO AT z = 0–7 IDENTIFIED BY CLUSTERING ANALYSIS WITH THE HUBBLE LEGACY IMAGING AND EARLY SUBARU/HYPER SUPRIME-CAM SURVEY DATA

We present clustering analysis results from 10,381 Lyman break galaxies (LBGs) at z ∼ 4–7, identified in the Hubble legacy deep imaging and new complimentary large-area Subaru/Hyper Suprime-Cam data. We measure the angular correlation functions of these LBGs at z ∼ 4, 5, 6, and 7 and fit these measurements using halo occupation distribution (HOD) models that provide an estimate of halo masses, M{sub h}∼(1−20)×10{sup 11} M{sub ⊙}. Our M{sub h} estimates agree with those obtained by previous clustering studies in a UV-magnitude versus M{sub h} plane and allow us to calculate stellar-to-halo mass ratios (SHMRs) of LBGs. By comparison with the z∼0 SHMR, we identify evolution of the SHMR from z∼0 to z∼4 and from z∼4 to z∼7 at the >98% confidence levels. The SHMR decreases by a factor of ∼2 from z∼0 to 4 and increases by a factor of ∼4 from z∼4 to 7 at the dark matter halo mass of M{sub h}∼10{sup 11} M{sub ⊙}. We compare our SHMRs with results of a hydrodynamic simulation and a semianalytic model and find that these theoretical studies do not predict the SHMR increase from z∼4 to 7. We obtain the baryon conversion efficiency (BCE) of LBGs at z∼4 and find that the BCE increases with increasing dark matter halo mass. Finally, we compare our clustering+HOD estimates with results from abundance matching techniques and conclude that the M{sub h} estimates of the clustering+HOD analyses agree with those of the simple abundance matching within a factor of 3, and that the agreement improves when using more sophisticated abundance matching techniques that include subhalos, incompleteness, and/or evolution in the star formation and stellar mass functions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

The distribution-based remapping of the nodal mass and momentum between arbitrary meshes for staggered arbitrary Lagrangian-Eulerian hydrodynamics

We present a new distribution-based remapping of the nodal mass and momentum between arbitrary source (Lagrangian) and arbitrary target (rezoned) meshes for indirect staggered arbitrary Lagrangian-Eulerian hydrodynamics. Here, the method is based on the following ideas: define cell-centered momentum and mass on the source mesh; conservatively remap those cell-centered quantities from source to target meshes; and use local constrained optimization for each cell of the target mesh to conservatively distribute cell mass and momentum to the nodes of the cell. This new method is efficient, conservative, accurate and bounds preserving.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Chemical hydrodynamics of a downward microbubble flow for intensification of gas‐fed bioreactors

Bioreactors are of interest for value‐upgrading of stranded or waste industrial gases. Reactor intensification requires development of low cost bioreactors with fast gas–liquid mass transfer rate. Here we assess published reactor technology in comparison with a novel downward bubble flow created by a micro‐jet array. Compared to known technology, the advanced design achieves higher volumetric gas transfer efficiency (k L a per power density) and can operate at higher k L a. We measure the effect of four reactor heights (height‐to‐diameter ratios of 12, 9, 6, and 3) on the gas transfer coefficient k L , total interfacial area a, liquid residence time distribution, energy consumption, and turbulent hydrodynamics. Leading models for predicting k L and a are appraised with experimental data. The results show k L is governed by “entrance effects” due to Higbie penetration dominate at short distances below the micro‐jet array, while turbulence dominates at intermediate distances, and finally terminal rise velocity dominates at large distances. © 2017 American Institute of Chemical Engineers AIChE J , 64: 1399–1411, 2018

Ansari, Manizheh↗

DOE OSTI2017

Numerical investigation of a joint approach to thermal energy storage and compressed air energy storage in aquifers

Different from conventional compressed air energy storage (CAES) systems, the advanced adiabatic compressed air energy storage (AA-CAES) system can store the compression heat which can be used to reheat air during the electricity generation stage. Thus, AA-CAES system can achieve a higher energy storage efficiency. Similar to the AA-CAES system, a compressed air energy storage in aquifers (CAESA) system, which is integrated with an aquifer thermal energy storage (ATES) could possibly achieve the same objective. In order to investigate the impact of ATES on the performance of CAESA, different injection air temperature schemes are designed and analyzed by using numerical simulations. Key parameters relative to energy recovery efficiencies of the different injection schemes, such as pressure distribution and temperature variation within the aquifers as well as energy flow rate in the injection well, are also investigated in this study. The simulations show that, although different injection schemes have a similar overall energy recovery efficiency (~97%) as well as a thermal energy recovery efficiency (~79.2%), the higher injection air temperature has a higher energy storage capability. Our results show the total energy storage for the injection air temperature at 80 °C is about 10% greater than the base model scheme at 40 °C. Sensitivity analysis reveal that permeability of the reservoir boundary could have significant impact on the system performance. However, other hydrodynamic and thermodynamic properties, such as the storage reservoir permeability, thermal conductivity, rock grain specific heat and rock grain density, have little impact on storage capability and the energy flow rate. Our study suggests that the combination of ATES and CAESA can help keep the high efficiency of energy storage so as to make CAESA system more efficiency.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

Two-Phase Flow in Filters and Orifices: In preparation for Measurements on ISS Packed Bed Reactor Experiment-Water Recovery Series (PBRE-WRS)

Understanding the hydrodynamics of adiabatic two-phase flows in packed bed reactors offers numerous benefits. It enables the optimization of chemical reactions rates and products, crucial for pharmaceuticals and energy production industries. Additionally, this understanding aids in designing more efficient and compact reactors, reducing space and resource requirements. Insights gained from studying such flows in microgravity contribute to advancements of space technologies and the enhancement of our capabilities for undertaking future long duration safe, and sustainable space exploration missions. The Packed Bed Reactor Experiment-Water Recovery Series (PBRE-WRS) is a flight experiment planned for operation on the Microgravity Science Glove box (MSG) facility of the International Space Station (ISS). The objective of the experiment is to validate hydrodynamic models at a range of gas and liquid flow rates. The microgravity environment allows for measurement and observation of aspects of fluid dynamics that are unique when compared to observations made in full or partial gravity environments. The experiment consists of testing two-phase flow hydrodynamics in three different filters, four (4) orifices and one check valve test articles. The experiment utilizes the hardware of the previously flown PBRE and PBRE-2 with packed beds of different packings materials and sizes. The fluid system of the PBRE-WRS consists of a nitrogen gas delivery and water delivery subsystems. The gas delivery subsystem can accommodate two ranges of gas flow rates, just as for the water delivery system. The nitrogen gas loop is open whereas the water loop is closed. Gas is separated from the water using a gas-liquid phase separator which is located in the water delivery module. Preliminary results from ground testing show the pressure drop increasing at different rates with the liquid and gas flow rates in the Brine filter. In this work, a detailed system description is presented along with a summary of results from ground performance testing of different test sections in an end-to-end preflight testing campaign.

Packed Bed Reactor Experiment↗