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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↗

DOE OSTI2014

Fluctuating hydrodynamics of multispecies nonreactive mixtures

In this study we discuss the formulation of the fluctuating Navier-Stokes equations for multispecies, nonreactive fluids. In particular, we establish a form suitable for numerical solution of the resulting stochastic partial differential equations. An accurate and efficient numerical scheme, based on our previous methods for single species and binary mixtures, is presented and tested at equilibrium as well as for a variety of nonequilibrium problems. These include the study of giant nonequilibrium concentration fluctuations in a ternary mixture in the presence of a diffusion barrier, the triggering of a Rayleigh-Taylor instability by diffusion in a four-species mixture, as well as reverse diffusion in a ternary mixture. Finally, good agreement with theory and experiment demonstrates that the formulation is robust and can serve as a useful tool in the study of thermal fluctuations for multispecies fluids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Enabling microbial electrolysis cell scale-up via electrochemistry-, hydrodynamic-, and microbial ecology-informed framework

Microbial electrolysis cells (MECs) can produce green hydrogen while removing organic contaminants from liquid waste streams by leveraging the metabolic activity of electroactive microorganisms. Despite their potential in a sustainable, circular economy, large-scale MECs that can treat relevant volumes of wastewater have failed to deliver performance proportional to their lab-scale counterparts. The reason behind this lower performance at scale remains unclear. Here, in this study, we developed a combined electrochemistry-, hydrodynamic-, and microbial ecology-informed framework to analyze and optimize MEC performance during scale-up, enabling accurate quantification of major limitations and the identification of strategies to overcome them, ultimately facilitating equivalent performance at scale. Applying this framework to the scale-up of a zero-gap MEC from 9 cm 2 electrode area to 100 cm 2 electrode area, resulted in similar maximum current densities in a 100 cm 2 MEC (21.7 ± 1.1 A/m 2 ) compared to a 9 cm 2 system (25.1 ± 2.7 A/m 2 ), as well as equivalent hydrogen production rates of 69.3 L/L-d (100 cm 2 ) and 67.7 ± 2.4 L/L-d (9 cm 2 ). COMSOL flow dynamics simulations were used to scale up the reactor configuration without negatively affecting electrolyte velocity and distribution in the cell, minimizing the increase in internal resistances during scale-up (11.7 ± 0.5 mΩm 2 at 9 cm 2 ; 19.7 ± 1.3 mΩm 2 at 100 cm 2 ). Microbial community structures were assessed at both scales using high-throughput sequencing, highlighting the differences of populations across electrode dimensions and operational parameters. The framework presented here accelerates the development of effective strategies toward the scale-up of MECs by furthering the understanding of how electrochemical, hydrodynamic, and microbial ecology parameters change as the reactor dimension is increased. Ultimately, this approach contributes to advancing electrochemical biotechnology toward practical deployment in energy-efficient wastewater treatment systems.

Flow path↗

DOE OSTI2017

Three-dimensional hydrodynamic simulations of OMEGA implosions

Here, the effects of large-scale (with Legendre modes ≲10) asymmetries in OMEGA direct-drive implosions caused by laser illumination nonuniformities (beam-power imbalance and beam mispointing and mistiming), target offset, and variation in target-layer thickness were investigated using the low-noise, three-dimensional Eulerian hydrodynamic code ASTER. Simulations indicate that these asymmetries can significantly degrade the implosion performance. The most important sources of the asymmetries are the target offsets (~10 to 20 μm), beam-power imbalance (σ rms ~ 10%), and variations (~5%) in target-layer thickness. Large-scale asymmetries distort implosion cores, resulting in a reduced hot-spot confinement and an increased residual kinetic energy of implosion targets. The ion temperature inferred from the width of simulated neutron spectra is influenced by bulk fuel motion in the distorted hot spot and can result in up to an ~1 -keV increase in apparent temperature. Similar temperature variations along different lines of sight are observed. Demonstrating hydrodynamic equivalence to ignition designs on OMEGA requires a reduction in large-scale target and laser-imposed nonuniformities, minimizing target offset, and employing highly efficient mid-adiabat (α = 4) implosion designs, which mitigate cross-beam energy transfer and suppress short-wavelength Rayleigh–Taylor growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Partially averaged Navier-Stokes closure modeling for variable-density turbulent flow

We report this work extends the framework of the partially averaged Navier-Stokes (PANS) equations to variable-density flow, i.e., multimaterial and/or compressible mixing problems with density variations and production of turbulence kinetic energy by both shear and buoyancy mechanisms. The proposed methodology is utilized to derive the PANS BHR-LEVM closure. This includes a priori testing to analyze and develop guidelines toward the efficient selection of the parameters controlling the physical resolution and, consequently, the range of resolved scales of PANS. Two archetypal test-cases involving transient turbulence, hydrodynamic instabilities, and coherent structures are used to illustrate the accuracy and potential of the method: the Taylor-Green vortex at Reynolds number Re = 3000, and the Rayleigh-Taylor flow at Atwood number 0.5 and (Re) max ≈ 500. These representative problems, for which turbulence is generated by shear and buoyancy processes, constitute the initial validation space of the new model, and their results are comprehensively discussed in two subsequent studies. The computations indicate that PANS can accurately predict the selected flow problems, resolving only a fraction of the scales of large-eddy simulation and direct numerical simulation strategies. The results also reiterate that the physical resolution of the PANS model must guarantee that the key instabilities and coherent structures of the flow are resolved. The remaining scales can be modeled through an adequate turbulence scale-dependent closure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

First high-convergence cryogenic implosion in a near-vacuum hohlraum

Recent experiments on the National Ignition Facility [M. J. Edwards et al., Phys. Plasmas 20, 070501 (2013)] demonstrate that utilizing a near-vacuum hohlraum (low pressure gas-filled) is a viable option for high convergence cryogenic deuterium-tritium (DT) layered capsule implosions. This is made possible by using a dense ablator (high-density carbon), which shortens the drive duration needed to achieve high convergence: a measured 40% higher hohlraum efficiency than typical gas-filled hohlraums, which requires less laser energy going into the hohlraum, and an observed better symmetry control than anticipated by standard hydrodynamics simulations. The first series of near-vacuum hohlraum experiments culminated in a 6.8 ns, 1.2 MJ laser pulse driving a 2-shock, high adiabat (α ~ 3.5) cryogenic DT layered high density carbon capsule. This resulted in one of the best performances so far on the NIF relative to laser energy, with a measured primary neutron yield of 1.8 X 10¹⁵ neutrons, with 20% calculated alpha heating at convergence ~27X.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Recent Hydrodynamic Modeling Enhancements in OpenFAST

To improve the hydrodynamic modeling capabilities of the offshore wind design and modeling tool OpenFAST, a restructuring of the HydroDyn hydrodynamics module was undertaken with several new features implemented. The generation of the wave field is now separated from HydroDyn into a new module called SeaState. Unlike previous versions of HydroDyn, which precomputed the wave kinematics at the undisplaced positions of the hydrodynamic nodes, the new SeaState module computes the complete time history of the wave field at the vertices of a user-defined wave grid. During the simulation, the wave kinematics at any point within the grid can be efficiently interpolated, allowing the strip-theory wave loads to be evaluated based on the wave kinematics at the displaced structure position. A phase correction was also implemented for the potential-flow wave-exciting loads to account for large structure displacements. Several wave-stretching methods were implemented for the strip-theory solution along with a wave-load redistribution method that ensures smooth variation of the nodal loads as the nodes of a discrete hydrodynamic mesh enter and exit the water. The load smoothing is included to avoid the excitation of unphysical high-frequency structural vibration during hydroelastic simulations. The MacCamy-Fuchs diffraction correction for the strip-theory solution and the capability to insert a constrained NewWave into extreme stochastic sea states with directional spreading were also added. The present article documents the formulations of the new improvements to HydroDyn with example applications and numerical results.

constrained wave↗

DOE OSTI2019

Collaboration with NSTX in Calculations of Radiofrequency and Neutral Beam Heating and Current Drive

The overall objective of this project was to advance the understanding of heating and current drive necessary for toroidal magnetic confinement fusion energy reactors, and to provide accurate models for these sources to aid in understanding magneto-hydrodynamic, transport and boundary physics issues. Increased understanding is provided by computer simulation using the underlying physics laws, and will lead to greater reliability and increased efficiency of a power producing fusion reactor. The proposed work entailed applications of existing CompX Fokker-Planck, ray tracing, full-wave microwave, and particle diffusion calculator codes to the National Spherical Torus Experiment at Princeton Plasma Physics Laboratory. Special features of NSTX include that large ion orbits are emphasized in its geometry and thus offer a major opportunity within fusion research for focused exploration of their ubiquitous effects, including comparison with simulation codes. The CompX CQL3D Fokker-Planck code was be further adapted to the finite-orbit-width physics. Comparison with experiment ensured that the computer codes have sufficient accuracy to accurately model the experiments. Nonthermal distributions of energetic ions are produced in experiments-- and modeled with the codes-- exhibiting the signatures of auxiliary heating, transport, and radiation processes within the plasma. Using physics-based modeling, in conjunction with experimental data, nonthermal distributions can provide keys to validation and quantification of auxiliary heating physics. Nonthermal distributions also hold particular information on radial transport processes, not obscured by the smoothing Maxwellization effects of Coulomb collisions. Generally, radial transport is not well understood but is a key to efficient fusion energy production. By comparison with Fokker-Planck modeling, the velocity dependence of radial transport coefficients becomes experimentally accessible, particularly in cases of well-modeled sources such as neutral beams, fast wave power, or the toroidal electric field. It is clear from modeling of fast-wave interactions with ions that finite-orbit-width effects play a significant role. For example, a different set of ions is computed to intersect a given cyclotron resonance depending on whether or not radial orbit drifts are taken into account. Also, radial transport, associated bootstrap current, and alpha channeling depend on radial drifts. Ion cyclotron heating above the first harmonic interacts preferentially with higher velocity ions, giving large radial drifts. The CQL3D Fokker-Planck code, maintained by the proposers, is a physics based model used extensively within the US fusion community to compare with and interpret experimental observations. At the beginning of this grant, bounce-averages of the rf quasilinear and other operators have been performed neglecting the radial drifts which give finite orbit widths to the particle orbits. The proposed work included a major upgrade to CQL3D to include finite-orbit-width effects be accounted for by performing the bounce-averages of rf and neutral beam fast ions along guiding center orbits. This CQL3D enhancement provided microwave and neutral beam contributions to neoclassical radial transport coefficients for nonthermal distributions, and substantially increased the comprehensiveness of the ion model. Additional work validated Fokker-Planck and ray tracing modeling of neutral beam and high harmonic fast wave absorption and current drive against the NSTX experiment, as had been very successful for electron cyclotron current drive in the DIII-D tokamak at General Atomics and lower hybrid waves on C-Mod at MIT. The validation work was in conjunction with staff and graduate students at Princeton Plasma Physics Laboratory. This DOE grant supported fusion energy research, a potential long-term solution to the world's energy needs. The research grant under consideration, DE-SC0006614, provided research support at the 0.3 Full-Time-Equivalent level for application of computer models to aid in understanding and projecting efficacy of heating and current drive sources in the National Spherical Torus Experiment, a tokamak variant, at the Princeton Plasma Physics Laboratory. The NSTX experiment explores the physics of very tight aspect ratio, almost spherical tokamaks, aiming at producing steady-state fusion plasmas. The current drive is an integral part of the steady-state concept, maintaining the magnetic geometry in the steady-state tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Angular momentum loss in the envelope-disk transition region of the HH 111 protostellar system: evidence for magnetic braking?

HH 111 is a Class I protostellar system at a distance of ∼400 pc, with the central source VLA 1 associated with a rotating disk deeply embedded in a flattened envelope. Here we present the observations of this system at ∼0.″6 (240 au) resolution in C{sup 18}O (J = 2 — 1) and a 230 GHz continuum obtained with the Atacama Large Millimeter/Submillimeter Array, and in SO (N{sub J} = 5{sub 6}−4{sub 5}) obtained with the Submillimeter Array. The observations show for the first time how a Keplerian rotating disk can be formed inside a flattened envelope. The flattened envelope is detected in C{sup 18}O, extending out to ≳2400 au from the VLA 1 source. It has a differential rotation, with the outer part (≳2000 au) better described by a rotation that has constant specific angular momentum, and the innermost part (≲160 au) by a Keplerian rotation. The rotationally supported disk is therefore relatively compact in this system, which is consistent with the dust continuum observations. Most interestingly, if the flow is in steady state, there is a substantial drop in specific angular momentum in the envelope–disk transition region from 2000 to 160 au, by a factor of ∼3. Such a decrease is not expected outside a disk formed from simple hydrodynamic core collapse, but can happen naturally if the core is significantly magnetized, because magnetic fields can be trapped in the transition region outside the disk by the ram pressure of the protostellar accretion flow, which can lead to efficient magnetic braking. In addition, SO shock emission is detected around the outer radius of the disk and could trace an accretion shock around the disk.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Recent Hydrodynamic Modeling Enhancements in OpenFAST: Preprint

constrained wave↗

DOE OSTI2017

Anisotropic fluid dynamics for Gubser flow

Investigating a variety of closing schemes to the infinite hierarchy of momentum moments of the exactly solvable Boltzmann equation for systems undergoing Gubser flow, we study the precision with which the resulting hydrodynamic equations reproduce the exact evolution of hydrodynamic moments of the distribution function. We find that anisotropic hydrodynamics, obtained by expanding the distribution function around a dynamically evolving locally anisotropic background whose evolution is matched to exactly reproduce the macroscopic pressure anisotropy caused by the different longitudinal and transverse expansion rates in Gubser ow, provides the most accurate macroscopic description of the microscopic kinetic evolution. This confirms a similar earlier finding for Bjorken ow [Molnar, Niemi and Rischke, Phys. Rev. D 94, 125003 (2016)]. Also, we explain the physics behind this optimal matching procedure and show that one can efficiently correct for a nonoptimized matching choice by adding a residual shear stress to the energy-momentum tensor whose evolution is again determined by the Boltzmann equation. Further insights to guide the optimal choice of a macroscopic anisotropic hydrodynamic framework for strongly-coupled systems that do not admit a microscopic kinetic description are reported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

FORMATION OF GLOBULAR CLUSTERS IN ATOMIC-COOLING HALOS VIA RAPID GAS CONDENSATION AND FRAGMENTATION DURING THE EPOCH OF REIONIZATION

We investigate the formation of metal-poor globular clusters (GCs) at the center of two dark matter halos with M{sub halo}∼4×10{sup 7} M{sub ⊙} at z>10 using cosmological radiation-hydrodynamics simulations. We find that very compact (≲1 pc) and massive (∼6×10{sup 5} M{sub ⊙}) clusters form rapidly when pristine gas collapses isothermally with the aid of efficient Lyα emission during the transition from molecular-cooling halos to atomic-cooling halos. Because the local free-fall time of dense star-forming gas is very short (≪1 Myr), a large fraction of the collapsed gas is turned into stars before stellar feedback processes blow out the gas and shut down star formation. Although the early stage of star formation is limited to a small region of the central star-forming disk, we find that the disk quickly fragments due to metal enrichment from supernovae. Sub-clusters formed in the fragmented clouds eventually merge with the main cluster at the center. The simulated clusters closely resemble the local GCs in mass and size but show a metallicity spread that is much wider than found in the local GCs. We discuss a role of pre-enrichment by Pop III and II stars as a potential solution to the latter issue. Although not without shortcomings, it is encouraging that a naive blind (not tuned) cosmological simulation presents a possible channel for the formation of at least some massive GCs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Statistical and machine learning models for optimizing energy in parallel applications

Rising power costs and constraints are driving a growing focus on the energy efficiency of high performance computing systems. The unique characteristics of a particular system and workload and their effect on performance and energy efficiency are typically difficult for application users to assess and to control. Settings for optimum performance and energy efficiency can also diverge, so we need to identify trade-off options that guide a suitable balance between energy use and performance. We present statistical and machine learning models that only require a small number of runs to make accurate Pareto-optimal trade-off predictions using parameters that users can control. We study model training and validation using several parallel kernels and more complex workloads, including Algebraic Multigrid (AMG), Large-scale Atomic Molecular Massively Parallel Simulator, and Livermore Unstructured Lagrangian Explicit Shock Hydrodynamics. Here, we demonstrate that we can train the models using as few as 12 runs, with prediction error of less than 10%. Our AMG results identify trade-off options that provide up to 45% improvement in energy efficiency for around 10% performance loss. We reduce the sample measurement time required for AMG by 90%, from 13 h to 74 min.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Optical-to-THz radiation conversion on a semi-metal surface

We consider the possibility of generation of broadband terahertz (THz) radiation upon reflection of a p-polarised femtosecond laser pulse from the surface of a semi-metal. The hydrodynamic model of an instantaneous quadratic response of metals is generalised, and analytical results and numerical simulation data are presented. It is shown that transition from highly conductive metals to semi-metals is accompanied by a significant increase in the efficiency of the THz signal generation due to the reduction of the effective charge carrier mass and attenuation of the shielding of optical and THz fields. (thz radiation)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Neural Networks for Nuclear Reactions in MAESTROeX

We demonstrate the use of neural networks to accelerate the reaction steps in the MAESTROeX stellar hydrodynamics code. A traditional MAESTROeX simulation uses a stiff ODE integrator for the reactions; here, we employ a ResNet architecture and describe details relating to the architecture, training, and validation of our networks. Our customized approach includes options for the form of the loss functions, a demonstration that the use of parallel neural networks leads to increased accuracy, and a description of a perturbational approach in the training step that robustifies the model. We test our approach on millimeter-scale flames using a single-step, 3-isotope network describing the first stages of carbon fusion occurring in Type Ia supernovae. We train the neural networks using simulation data from a standard MAESTROeX simulation, and show that the resulting model can be effectively applied to different flame configurations. This work lays the groundwork for more complex networks, and iterative time-integration strategies that can leverage the efficiency of the neural networks.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1981

Modal content of noise generated by a coaxial jet in a pipe

Measurements of the hydrodynamic pressure fluctuation levels showed that, for circular obstructions with a flow passage diameter less than one-half of the pipe diameter, hydrodynamic pressure fluctuations were small compared with the acoustic pressure, at locations greater than ten pipe diameters downstream of the restrictions. Thus, in the study currently reported, which was concentrated on measurement of the modal characteristics of the sound field downstream of the restrictions, special techniques to avoid contamination by hydrodynamic 'noise' were not necessary. The major results obtained in the study are scaling laws for the shape of the modal pressure spectrum and for the overall efficiency of noise generation. The characteristics of the modal pressure spectra are discussed. It is shown that the primary parameter controlling the spectrum shape is the frequency ratio (Helmholtz number/Strouhal number). The efficiency levels when plotted as a function of Mach number show a strong dependence on restriction size

Kerschen, E. J.↗

DOE OSTI2017

Nonlinear particle acceleration and thermal particles in GRB afterglows

The standard model for GRB afterglow emission treats the accelerated electron population as a simple power law, N(E)∝E{sup −p} for p≳2. However, in standard Fermi shock acceleration, a substantial fraction of the swept-up particles do not enter the acceleration process at all. Additionally, if acceleration is efficient, then the nonlinear back-reaction of accelerated particles on the shock structure modifies the shape of the nonthermal tail of the particle spectra. Both of these modifications to the standard synchrotron afterglow impact the luminosity, spectra, and temporal variation of the afterglow. To examine the effects of including thermal particles and nonlinear particle acceleration on afterglow emission, we follow a hydrodynamical model for an afterglow jet and simulate acceleration at numerous points during the evolution. When thermal particles are included, we find that the electron population is at no time well fitted by a single power law, though the highest-energy electrons are; if the acceleration is efficient, then the power-law region is even smaller. Our model predicts hard–soft–hard spectral evolution at X-ray energies, as well as an uncoupled X-ray and optical light curve. Additionally, we show that including emission from thermal particles has drastic effects (increases by factors of 100 and 30, respectively) on the observed flux at optical and GeV energies. This enhancement of GeV emission makes afterglow detections by future γ-ray observatories, such as CTA, very likely.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A GPU accelerated mixed-precision Smoothed Particle Hydrodynamics framework with cell-based relative coordinates

Smoothed Particle Hydrodynamics (SPH) is essential for modeling complex large-deformation problems across various applications, requiring significant computational power. A major portion of SPH computation time is dedicated to the Nearest Neighboring Particle Search (NNPS) process. While advanced NNPS algorithms have been developed to enhance SPH efficiency, the potential efficiency gains from modern computation hardware remain underexplored. Here, this study investigates the impact of GPU parallel architecture, low-precision computing on GPUs, and GPU memory management on NNPS efficiency. Our approach employs a GPU-accelerated mixed-precision SPH framework, utilizing low precision float-point 16 (FP16) for NNPS while maintaining high precision for other components. To ensure FP16 accuracy in NNPS, we introduce a Relative Coordinated-based Link List (RCLL) algorithm, storing FP16 relative coordinates of particles within background cells. Our testing results show three significant speedup rounds for CPU-based NNPS algorithms. The first comes from parallel GPU computations, with up to a 1000x efficiency gain. The second is achieved through low-precision GPU computing, where the proposed FP16-based RCLL algorithm offers a 1.5x efficiency improvement over the FP64-based approach on GPUs. By optimizing GPU memory bandwidth utilization, the efficiency of the FP16 RCLL algorithm can be further boosted by 2.7x, as demonstrated in an example with 1 million particles. Our code is released at https://github.com/pnnl/lpNNPS4SPH.

97 MATHEMATICS AND COMPUTING↗