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At least 271 records · Page 15

3D Convective Urca Process in a Simmering White Dwarf

Abstract A proposed setting for thermonuclear (Type Ia) supernovae is a white dwarf that has gained mass from a companion to the point of carbon ignition in the core. In the early stages of carbon burning, called the simmering phase, energy released by the reactions in the core drive the formation and growth of a core convection zone. One aspect of this phase is the convective Urca process, a linking of weak nuclear reactions to convection, which may alter the composition and structure of the white dwarf. The convective Urca process is not well understood and requires 3D fluid simulations to properly model the turbulent convection, an inherently 3D process. Because the neutron excess of the fluid both sets and is set by the extent of the convection zone, the realistic steady state can only be determined in simulations with real 3D mixing processes. Additionally, the convection is relatively slow (Mach number less than 0.005) and thus a low Mach number method is needed to model the flow over many convective turnovers. Using the MAESTROeX low Mach number hydrodynamic software, we present the first full-star 3D simulations of the A = 23 convective Urca process, spanning hundreds of convective turnover times. Our findings on the extent of mixing across the Urca shell, the characteristic velocities of the flow, the energy-loss rates due to neutrino emission, and the structure of the convective boundary can be used to inform 1D stellar models that track the longer-timescale evolution.

Boyd, Brendan (ORCID:0000000254199751)↗

Computational Fluid Dynamics Modeling to Facilitate Qualification of Stack Sampling Probe Location

Computational fluid dynamics (CFD) modeling was used to help evaluate modifications to a radiological effluent stack and assist with establishing a stack sampling location that met the mixing criteria for qualification. Requirements for stack sampling location are listed in the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-2021 standard. Modeling was performed to help develop a suitable design for increasing building ventilation for the radiological effluent stack. The ANSI/HPS N13.1-2021 criteria for the air monitoring probe location are that the coefficient of variation of velocity uniformity, gaseous tracer uniformity, and particulate tracer uniformity must be less than or equal to 20%. Furthermore, no point in the sampling location may have a gaseous tracer concentration that varies from the mean concentration by more than 30%. Additionally, the flow angle at the sampling location must not be more than 20 degrees. The ANSI/HPS N13.1-2021 standard allows for models (physical or computational) to be employed to perform the full suite of qualification tests, followed by a more limited set of verification tests on the actual stack to qualify the stack sampling location. Here, a series of computational model simulations were employed to evaluate the stack qualification criteria. Significant time and re-source savings are achieved using CFD modeling. CFD modeling demonstrated that the stack meets the criteria at the sample probe location. Verification tests were performed on the modified stack to measure the velocity uniformity and flow angle at the stack sampling location, and results demonstrated that the CFD model results may be used to support the qualification of the stack sampling location.

Air Monitoring↗

Bed form-induced hyporheic exchange and geochemical hotspots

Small-scale bed form topographies control hyporheic exchange and biogeochemical processes within aquatic sediments, which ultimately affect water quality and nutrient cycling at the watershed scale. The impact of three-dimensional and small-scale bed form topographies on hyporheic exchange and solute mixing is investigated in the present work. The effect of bed form morphologies on the development of zones of enhanced reaction rates (i.e., hotspots) is also studied. A computational fluid dynamics model to simulate river flow over bed forms is combined with a subsurface flow and multicomponent reactive solute transport model. A wide variety of bed form topographies are generated using geometric models by varying parameters controlling curvature as well as bed form wavelength and amplitude. The results in this research suggest that out-of-phase bed forms generate more complex hyporheic flow patterns which reduce the efficiency of solute transformations. Higher phase shifts in bed form shapes result in overall higher average velocity, larger zones of enhanced pressure and reaction rates, and higher amounts of solute exchange. Moreover, the bed form shapes control the reaction process for a wide range of sediment conductivities. Here this study advances the understanding of the effects of complex and small scale morphological features on hyporheic exchange processes including the rate and spatio-temporal distribution of reaction hotspots.

54 ENVIRONMENTAL SCIENCES↗

Theory and simulations of linear and nonlinear two-dimensional Rayleigh–Taylor dynamics with variable acceleration

Interfacial Rayleigh–Taylor mixing is crucial to describing important natural and engineering processes, such as exploding supernovae, laser micromachining, hot spots in inertial confinement fusion, and optical telecommunications. These require the characterization of the time dependence of the driving acceleration. We compare our theoretical formulation based on group theory foundations with interface-capturing numerical simulations for linear and nonlinear two-dimensional Rayleigh–Taylor instabilities in a finite-sized domain with time-varying acceleration over broad ranges of Atwood numbers and acceleration exponents. Detailed corroboration between theory and simulations is provided for this foundational case. Both demonstrate the strong interfacial nature of Rayleigh–Taylor instabilities, which suggests that practical flow fields can be reconstructed from the derived fluid potential using the proposed theory. A robust agreement is also obtained for the early and late-time evolution of the amplitudes of the bubble and spike, which demonstrate that the Rayleigh–Taylor flow can transition to the mixing regime even for a single-mode initial perturbation. Corroboration with experiments of high energy density plasmas motivated by studies of supernovae is also achieved. In addition, a long-standing puzzle in Rayleigh–Taylor dynamics on the interplay between the acceleration, the shear, and the interface morphology in the theory and simulations is resolved by accounting for finite viscosity of the fluids. The characterization of Rayleigh–Taylor instabilities as a highly interfacial phenomenon provides valuable insight into its multiscale nature, which enhances the design and understanding of numerous processes of practical interest.

42 ENGINEERING↗

Multiphysics Computational Fluid Dynamics for Design and Scale-Up of CO 2 /Syngas Bioreactors [Poster]

What are we trying to do? Develop validated, high fidelity computational models for gas fermentation using CO 2 , CO and H 2 . How is it done today? Microbiological advances are made at the lab scale in well mixed reactors. Process scale-up remains an open question when considering novel microorganisms/reaction systems. Why is this important? Lab-to-production scale transition is required to achieve CO 2 conversion at Mton/Gton scale and computational models can de-risk/accelerate this transition.

09 BIOMASS FUELS↗

Stream lamination and rapid mixing in a microfluidic jet for X-ray spectroscopy studies

Microfluidic mixers offer new possibilities for the study of fast reaction kinetics down to the microsecond time scale, and methods such as soft X-ray absorption spectroscopy are powerful analysis techniques. These systems impose challenging constraints on mixing time scales, sample volume, detection region size and component materials. The current work presents a novel micromixer and jet device which aims to address these limitations. The system uses a so-called ‘theta’ mixer consisting of two sintered and fused glass capillaries. Sample and carrier fluids are injected separately into the inlets of the adjacent capillaries. At the downstream end, the two streams exit two micron-scale adjoining nozzles and form a single free-standing jet. The flow-rate difference between the two streams results in the rapid acceleration and lamination of the sample stream. This creates a small transverse dimension and induces diffusive mixing of the sample and carrier stream solutions within a time scale of 0.9 microseconds. The reaction occurs at or very near a free surface so that reactants and products are more directly accessible to interrogation using soft X-ray. We use a simple diffusion model and quantitative measurements of fluorescence quenching (of fluorescein with potassium iodide) to characterize the mixing dynamics across flow-rate ratios.

Huyke, Diego A. (ORCID:0000000283356613)↗

Applying Time-Parallelization to Turbulent Flows

Parallelization of the temporal domain is explored for the solution of turbulent flows. Multigrid reduction-in-time (MGRIT) is used to advance the large-scale fluid dynamics in time sequentially on the coarsest space-time grid but propagate the information in time parallel on all other levels. The goal of this process is to accurately and efficiently resolve the coarse-scale turbulence structure and use that to drive the fine-scales of the turbulent flow. The extra forcing from nonlinear multigrid facilitates the coupling and interaction between fine and coarse scales, through which the multiscale nonlinear physics is properly captured. Adaptive mesh refinement is employed to finely resolve only the regions with strong gradients, which provides further computational efficiency. The underlying computational fluid dynamics solver is a fourth-order finite-volume scheme with the standard 4-stage Runge-Kutta method. An advanced approach is devised and implemented to enable MGRIT to solve highly turbulent flows successfully. Furthermore, the method is applied to solve a Taylor-Green vortex problem and a doubleshear-layer turbulent mixing flow. Results are promising, validating that MGRIT with the filtering approach has the potential to efficiently solve general turbulent flows.

Computational Fluid Dynamics↗

Strategies for thorium fuel cycle transition in the SD-TMSR

Liquid-fueled Molten Salt Reactor (MSR) systems represent advances in safety, economics, and sustainability. The MSR has been designed to operate with a Th/ 233 U fuel cycle with 233 U used as startup fissile material. Since 233 U does not exist in nature, we must examine other available fissile materials to start up these reactor concepts. This work investigates the fuel cycle and neutronics performance of the Single-fluid Double-zone Thorium-based Molten Salt Reactor (SD-TMSR) with different fissile material loadings at startup: High Assay Low Enriched Uranium (HALEU) (19.79%), Pu mixed with HALEU (19.79%), reactor-grade Pu (a mixture of Pu isotopes chemically extracted from Pressurized Water Reactor (PWR) spent nuclear fuel (SNF) with 33 GW d/tHM burnup), transuranic elements (TRU) from Light Water Reactor (LWR) SNF, and 233 U. The MSR burnup routine provided by SERPENT-2 is used to simulate the online reprocessing and refueling in the SD-TMSR. The effective multiplication factor, fuel salt composition evolution, and net production of 233 U are studied in the present work. Additionally, the neutron spectrum shift during the reactor operation is calculated. The results show that the continuous flow of reactorgrade Pu helps transition to the thorium fuel cycle within a relatively short time (≈ 4.5 years) compared to 26 years for 233 U startup fuel. Finally, using TRU as the initial fuel materials offers the possibility of operating the SD-TMSR for an extended period of time (≈ 40 years) without any external feed of 233 U.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High-Fidelity CFD Simulation of Mixed Convection and Forced Convection in a Pebble Bed Test Reactor Core

The Hermes low-power [35-MW(thermal)] reactor will be built and operated by Kairos Power LLC (KP) to demonstrate its fluoride salt-cooled high-temperature reactor (FHR) technology. In the KP FHR, the reactor core is composed of randomly packed pebbles with TRISO fuel particles inside with FLiBe flow upward through the core acting as a coolant. Previous numerical and experimental studies have been limited to either a small-size bed or to a lack of detailed measurements for heat transfer. Here, to address the lack of high-fidelity heat transfer data in a real-size FHR core, in this study, we simulated a pebble bed core with 34 374 pebbles randomly packed, similar to the Hermes reactor's size. The core radius was 14 times that of the pebble diameter, while the core height was 45 times. In this work, we were particularly interested in a mixed convection regime, where buoyancy is important. Therefore, we performed several large-eddy simulations at different Reynolds numbers (160 to 1000) with gravitational force included. The spectral element computational fluid dynamics code NekRS with graphics processing unit acceleration was used for this study. The low-Mach number approximation was applied to address property changes in the FLiBe and to account for buoyancy. A pure hexahedral mesh with 60 million elements was generated by the Voronoi cell method. At the polynomial order of 5, the total degrees of freedom was 7.5 billion. The developed case in this work is the first of its kind in terms of size and complexity. The local numerical data across the domain were obtained and compared with empirical correlations. After examining the data, we found the following conclusions. For pressure drop, the Reger correlation predicted less than a 5% error. On the other hand, for heat transfer, the Wakao correlation outperformed the others. Based on our findings, we recommend the use of the Wakao correlation for the Nusselt number calculation, and for pressure drop, the KTA (Kerntechnischer Ausschuss) correclation, among the available experimental correlations. In conclusion, the Reger direct numerical simulation-driven correlation for pressure drops should also be considered, given its best agreement with our calculations.

Mixed Convection↗

Mixed ortho- H 2 and para- H 2 clusters studied by vibrational coherent anti-Stokes Raman spectroscopy

The search for macroscopic quantum effects, including superfluidity, in molecular hydrogen is mostly focused on its parahydrogen (p-H 2 ) nuclear spin modification because of weaker intermolecular interaction compared to orthohydrogen (o-H 2 ), both modifications being bosonic. In this work, mixed clusters of o-H 2 and p-H 2 containing similar to 10(4) molecules are prepared by supersonic expansion with helium and studied by vibrational coherent anti-Stokes Raman scattering (CARS) spectroscopy. At similar experimental conditions the neat p-H 2 clusters avoid freezing and remain fluid at 1-2 K, which is predicted to be the realm of their superfluid behavior [Phys. Rev. Lett. 101, 205301 (2008)]. Dependence of the vibrational frequencies and intensities of the main CARS peaks due to o-H 2 and p-H 2 versus the ratio of the o-H 2 and p-H 2 concentrations in the expanding gas suggests that o-H 2 and p-H 2 molecules are uniformly mixed in the interior of the clusters. A weak spectral feature at 4157 cm -1 that appears independent of the concentration ratio is assigned to the outer shell of the clusters enriched with p-H 2 molecules. Although the phase of the mixed clusters could not be unambiguously identified, the shift of the vibrational frequencies with respect to the bulk solid is consistent with the liquid state of the clusters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

LANL's Contribution to the Design and Preparation of the ANL Bubble Experiment #2

In collaboration with Argonne National Laboratory (ANL), Los Alamos National Laboratory (LANL) is assisting in the design and development of portions of the second ANL Bubble Experiment to be performed in late 2020 at ANL. The ANL Bubble Experiment, as called in this report, is a series of direct electron irradiations of a uranyl sulfate solution to produce radiolysis-induced gas bubbles of hydrogen and oxygen. The gas bubbles formed in the solution enhance mixing and heat transfer. The study of the dynamics, shape, and size of radiolysis-induced gas bubbles is of great importance to understand and characterize the thermal and fluid behavior of the solution, especially for the solution based, neutron-induced fission production technique for Mo-99. During the first experiment performed in 2014, ANL’s 35 MeV electron linear accelerator provided average powers of 6, 12, and 15 kW using a rastered beam to homogeneously heat the 15 x 15 x 80-cm uranyl-sulfate solution. Gas bubble size, shape, velocity, solution temperature, and hydrogen and oxygen concentrations were recorded during the irradiations. The details of the experimental setup and results for the first experiment are described in the ANL reports, Design and Construction of Experiment for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies and Experimental Results for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies. The purpose of this report is to describe the issues and lessons learned associated with the first experiment and elaborate on designs to improve and obtain more accurate experimental results for the upcoming experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling of a 1/20th Scaled-down Gas Reactor Using MOOSE-based Application Pronghorn

University of Idaho (UI) designed and built a 1/20th scaled-down HTGR system to examine the mixing and venting of helium and reactor cavity air after a loss-of-coolant, also known as LOCA, due to a break in the reactor pressure vessel. Computational fluid dynamics (CFD) models of the system were developed, but their computational cost is high for modeling long transient accident scenarios. The objective of the project is to develop a simulation of the scaled-down system using the MOOSE-based application Pronghorn. A numerical approach is needed to have a better understanding of the physics phenomena that takes place following a LOCA event, and it can guide plant designers to design parameters for the development of mitigation techniques. This scenario is applicable to all HTR designs including the pebble bed reactor concept.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Octane Requirements of Lean Mixed-Mode Combustion in a Direct-Injection Spark-Ignition Engine

Here, this study investigates the octane requirements of a hybrid flame propagation and controlled autoignition mode referred to as mixed-mode combustion (MMC), which allows for strong control over combustion parameters via a spark-initiated deflagration phase. Due to the throughput limitations associated with both experiments and 3-D computational fluid dynamics calculations, a hybrid 0-D and 1-D modeling methodology was developed, supported by experimental validation data. This modeling approach relied on 1-D, two-zone engine simulations to predict bulk in-cylinder thermodynamic conditions over a range of engine speeds, compression ratios, intake pressures, trapped residual levels, fueling rates, and spark timings. Those predictions were then transferred to a 0-D chemical kinetic model, which was used to evaluate the autoignition behavior of fuels when subjected to temperature–pressure trajectories of interest. Finally, the predicted autoignition phasings were screened relative to the progress of the modeled deflagration-based combustion in order to determine if an operating condition was feasible or infeasible due to knock or stability limits. The combined modeling and experimental results reveal that MMC has an octane requirement similar to modern stoichiometric spark-ignition engines in that fuels with high research octane number (RON) and high octane sensitivity (S) enable higher loads. Experimental trends with varying RON and S were well predicted by the model for 1000 and 1400 rpm, confirming its utility in identifying the compatibility of a fuel’s autoignition behavior with an engine configuration and operating strategy. However, the model was not effective in predicting (nor designed to predict) operability limits due to cycle-to-cycle variations, which experimentally inhibited operation of some fuels at 2000 rpm. Putting the operable limits and efficiency from MMC in the context of a state-of-the-art engine, the MMC showed superior efficiencies over the range investigated, demonstrating the potential to further improve fuel economy.

33 ADVANCED PROPULSION SYSTEMS↗

Evolution of highly multimodal Rayleigh–Taylor instabilities

Rayleigh–Taylor (RT) instabilities are important fluid instabilities that arise in inertial confinement fusion (ICF) capsule implosions, and many other contexts. Multi-mode coupling is observed in experiments and plays a substantial role in material mix from RT instabilities. In this work, we study the evolution of highly multimodal perturbations (power law distribution) that approximate those found at manufactured material interfaces. We use simulations of over 2000 different perturbations in the LANL code xRAGE to identify distinct phases in the processes of bubble growth and bubble merger which can be visualized in a 2D phase portrait with clear regimes of mode growth and decay. Our results show that the dynamic evolution of the instability strongly depends on the mode of the perturbations and mode interactions. The merger process accelerates bubble growth. A non-Markovian region and a transition of the instability from: (1) initial exponential growth to (2) linear growth and to (3) quadratic growth and asymptotic behavior, are clearly captured in the phase space. We have developed a quantitative model of bubble growth that reproduces the dynamic behavior of ensembles of perturbations. Implications for ICF capsules designed for robustness against instabilities are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The effects of ACRT on melt undercooling during the growth of CZT via the traveling heater method: Ekman versus Taylor-Görtler flows

For the first time, a comprehensive model for the traveling heater method, including detailed species transport and phase-change thermodynamics, is applied to understand the effects of accelerated crucible rotation (ACRT) on the growth of cadmium zinc telluride. Here, a rotation schedule that is designed from classical considerations does not completely mix the melt, rather undercooled regions of localized melt are swept periodically across the growth interface. Even without melt homogenization, these ACRT-driven flows disrupt the persistent undercooling that occurs during THM growth without rotation. An ACRT schedule designed to promote Ekman flows results in lower levels of melt undercooling than a schedule designed to promote Taylor-Görtler flows and greater mixing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Recent advances in computational mathematics and applications

We are honored to bring you this special issue dedicated to recent advances in computational mathematics and applications in science and engineering. The papers in this special issue were presented in ”Conference on Computational Mathematics and Applications (CCMA)” held at the University of Nevada Las Vegas (UNLV) during October 25–27, 2019. The conference has attracted about 90 attendees from six countries. The 15 papers in the special issue comprise a diverse collection of theoretical numerical analysis as well as applications in various subjects. Topics cover optimal control of PDEs, discontinuous Galerkin methods, fluid flow in porous media, turbulence flow, static and moving interface problems, complex fluids composed by the mixture of Newtonian fluid and nematic (liquid crystal) flows, modeling of ocean–atmosphere system, image segmentation algorithm, uncertainty quantification problems for turbulence model and Maxwell’s equations, iterative solver for systems resulting from mixed methods, and novel methods for solving systems of nonlinear equations. As the Guest Editors we would like to thank Dr. Leland Jameson at NSF (National Science Foundation) for kindly supporting our conference proposal which made this conference possible. We would also like to thank Darren Sugrue from Elsevier who provided partial support for our conference, and Thennarasu Gunasekaran and his production team from Elsevier who produced this nice special issue. We are grateful to many people (Dr. Zhijian Wu, Lori Ornelas, Elsa Juarez, and many Ph.D. students) at the Department of Mathematical Sciences of UNLV who provided tremendous support for the conference. Finally, we very much appreciate all authors who contributed their precious results to this special issue.

97 MATHEMATICS AND COMPUTING↗

Electrodeposition of Zinc in Aqueous Electrolytes Containing High Molecular Weight Polymers

Strong polarization of the ion distribution in liquid electrolytes subjected to potential differences exceeding the thermal voltage, V T = kT/e, produces a hydrodynamic instability termed electroconvection at ion-selective interfaces. Electroconvection is desirable in some situations (e.g., electrodialysis) because it promotes mixing in a stagnant electrolyte layer, enhancing the ion flux at a fixed potential difference. It is undesirable in others (e.g., electrodeposition of metals) where early experiments show that convective fluid rolls associated with hydrodynamic instability in bounded electrolytes produce preferential metal deposition at localized regions on an electrode. Such localized deposition drives the family of morphological instabilities loosely termed dendritic electrodeposition. We experimentally investigate the effect of ultrahigh molecular weight polymer additives on the onset conditions and physical characteristics of both instabilities. Direct observations of electrodeposit morphology and tracer particle motions used in tandem with indirect electrokinetic measurements reveal that even at moderate concentrations, the polymer additives have a large beneficial effect in extending the range of electric potentials where stable electrodeposition is observed. Additionally, we report that at polymer concentrations above the entanglement threshold, high molecular weight polymers impart elasticity to liquid electrolytes which dampen electroconvective flow at a cation-selective interface but have at most a minimal effect on the bulk ionic conductivity of the liquid.

25 ENERGY STORAGE↗

A Dual Approach in Direct Ink Writing of Thermally Cured Shape Memory Rubber Toughened Epoxy

Bisphenol A-based epoxies are much used in a wide range of composite and coating applications due to their excellent thermomechanical properties. However, their 3D printability remains a challenge with most reported materials suffering from high brittleness and low toughness. In this work, we have described especially modified epoxy resins that enable 3D printing with both fast and slow curing rates. These materials exhibit greatly enhanced toughness, tunable thermomechanical properties, and excellent shape memory behavior. Two different printing systems, including a two-part static mixing printhead and a single extrusion printhead, were developed for fast- and slow-curing epoxies, respectively. The rheology of inks in both systems has been modified into printable thixotropic fluids with the aid of silica nanoparticles and other additives. Epoxide-functionalized telechelic polybutadiene was added into the resins, which are then introduced inside the epoxy network after cross-linking. The addition of polybutadiene rubber significantly improves the toughness (over 135%), fracture strain (over 200%), and shape memory behavior. By adding different amounts of the rubber telechelic, thermomechanical properties, including modulus, elongation, and Tg of epoxy, can be well controlled in a wide range to satisfy different applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗