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DOE OSTI2015

Three-dimensional hydrodynamical simulations of the supernovae-driven gas loss in the dwarf spheroidal galaxy Ursa Minor

As is usual in dwarf spheroidal galaxies, today the Local Group galaxy Ursa Minor is depleted of its gas content. How this galaxy lost its gas is still a matter of debate. To study the history of gas loss in Ursa Minor, we conducted the first three-dimensional hydrodynamical simulations of this object, assuming that the gas loss was driven by galactic winds powered only by type II supernovae (SNe II). The initial gas setup and supernova (SN) rates used in our simulations are mainly constrained by the inferred star formation history and the observed velocity dispersion of Ursa Minor. After 3 Gyr of evolution, we found that the gas removal efficiency is higher when the SN rate is increased, and also when the initial mean gas density is lowered. The derived mass-loss rates are systematically higher in the central regions (<300 pc), even though such a relationship has not been strictly linear in time and in terms of the galactic radius. The filamentary structures induced by Rayleigh–Taylor instabilities and the concentric shells related to the acoustic waves driven by SNe can account for the inferred mass losses from the simulations. Our results suggest that SNe II are able to transfer most of the gas from the central region outward to the galactic halo. However, other physical mechanisms must be considered in order to completely remove the gas at larger radii.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

A stochastic asymptotic-preserving scheme for a kinetic-fluid model for disperse two-phase flows with uncertainty

In this paper we consider a kinetic-fluid model for disperse two-phase flows with uncertainty. We propose a stochastic asymptotic-preserving (s-AP) scheme in the generalized polynomial chaos stochastic Galerkin (gPC-sG) framework, which allows the efficient computation of the problem in both kinetic and hydrodynamic regimes. The s-AP property is proved by deriving the equilibrium of the gPC version of the Fokker–Planck operator. The coefficient matrices that arise in a Helmholtz equation and a Poisson equation, essential ingredients of the algorithms, are proved to be positive definite under reasonable and mild assumptions. The computation of the gPC version of a translation operator that arises in the inversion of the Fokker–Planck operator is accelerated by a spectrally accurate splitting method. Numerical examples illustrate the s-AP property and the efficiency of the gPC-sG method in various asymptotic regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Heat Transfer Efficiency in Various Prandtl Number Turbulent Flows using DNS approach

Convective heat transfer in turbulent flows utilized in many nuclear reactor designs with various coolants. While the traditional light water reactors (LWR) rely on water coolant, some advanced next-generation designs propose to use gas, molten salt, liquid metal coolants. Due to large presence of LWRs, most of the convective heat transfer correlations are focused on fluids with properties similar to water. However, some of the next-generation reactor designs cannot directly apply those correlations to advanced coolants, such as liquid metal, which has very low Prandtl number. Direct Numerical Simulation (DNS) is one of the promising approaches to study the details of fluid flow and heat transfer using first principles. The advances of high performance computing (HPC) in recent years made it possible to apply DNS to a wide variety of flow conditions. Kim and Moin studied heat transfer in fully developed turbulent channel flow using DNS. Kawamura et al. investigated the turbulent heat transfer in channel flow with low to medium-high Prandtl number fluid (ranging between 0.025 and 5.0). They take Reynolds number effects into consideration as well. However, most of these studies focus on medium and high Prandtl number. Low Prandtl number flow (like liquid metal) DNS studies are very limited. In the presented research the effect of low Prandtl number is studied in the turbulent channel flow. The second-order accurate spatial and time discretization is used for the flow solver in the presented work. The instantaneous velocity and temperature fields are visualized in the simulation. The effect of Prandtl number on the heat transfer is investigated by comparing different turbulent flow cases. In the same hydrodynamic conditions, the heat conduction enhances as the Prandtl number decreases in the low Prandtl number range. The behavior of the thermal boundary layer follows the empirical correlation. As the Prandtl number decreases, the conductive sublayer region becomes wider, where is out of the range of the empirical correlation. In the future work, we plan to estimate the Nusselt number as well to compare the total heat transfer rate with respect to different Prandtl number flow, especially the very low Prandtl number cases.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Multiphase flow studies for microscale hydrodynamics in the structured packed column

Post combustion carbon capture by solvent absorption in a structured packed column is a promising technology for mitigating greenhouse gas emissions. Computational fluid dynamic (CFD) modelling of such a column is a challenging multiscale problem due to the range in length and time scales. The microscale hydrodynamics play a key role in the overall column efficiency with the interfacial area significantly influencing the mass transfer between the gas and liquid phases. In this context, multiphase flow simulations using the volume of fluid (VOF) method in a representative elementary unit (REU) of the packed column can provide fundamental insights into the microscale hydrodynamics, such as, interfacial area and liquid holdup. The present paper systematically examines the impact of various factors (e.g., physical properties and contact angle) on the interfacial area. The results are compared with existing correlations and a scaling analysis is also performed. The solvent physical properties are characterized by the Kapitza number (Ka), a dimensionless number that depends only on fluid properties. So that the Ka number decreases with increasing viscosity. At a fixed liquid load, the interfacial area and liquid holdup are observed to increase with decreasing Ka number. The impact of contact angle (i.e., solid surface characteristics) is effectively investigated by modifying the wall boundary conditions. The interfacial area and liquid holdup are found to decrease with increasing contact angle. Subsequently, a phenomenological correlation for interfacial area is proposed that includes the impact of these parameters. Finally, this correlation may be used to predict the interfacial area for gas-liquid flow in a structured packing for rivulet to fully wetted flow regimes.

42 ENGINEERING↗

DOE OSTI2015

BALANCING THE LOAD: A VORONOI BASED SCHEME FOR PARALLEL COMPUTATIONS

One of the key issues when running a simulation on multiple CPUs is maintaining a proper load balance throughout the run and minimizing communications between CPUs. We propose a novel method of utilizing a Voronoi diagram to achieve a nearly perfect load balance without the need of any global redistributions of data. As a show case, we implement our method in RICH, a two-dimensional moving mesh hydrodynamical code, but it can be extended trivially to other codes in two or three dimensions. Our tests show that this method is indeed efficient and can be used in a large variety of existing hydrodynamical codes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Microfluidic channel optimization to improve hydrodynamic dissociation of cell aggregates and tissue

Maximizing the speed and efficiency at which single cells can be liberated from tissues would dramatically advance cell-based diagnostics and therapies. Conventional methods involve numerous manual processing steps and long enzymatic digestion times, yet are still inefficient. In previous work, we developed a microfluidic device with a network of branching channels to improve the dissociation of cell aggregates into single cells. However, this device was not tested on tissue specimens, and further development was limited by high cost and low feature resolution. In this work, we utilized a single layer, laser micro-machined polyimide film as a rapid prototyping tool to optimize the design of our microfluidic channels to maximize dissociation efficiency. This resulted in a new design with smaller dimensions and a shark fin geometry, which increased recovery of single cells from cancer cell aggregates. We then tested device performance on mouse kidney tissue, and found that optimal results were obtained using two microfluidic devices in series, the larger original design followed by the new shark fin design as a final polishing step. We envision our microfluidic dissociation devices being used in research and clinical settings to generate single cells from various tissue specimens for diagnostic and therapeutic applications.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

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

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

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2006

A Magnetohydrodynamic Boost for Relativistic Jets

We have performed relativistic magnetohydrodynamic simulations of the hydrodynamic boosting mechanism for relativistic jets explored by Aloy & Rezzolla (2006) using the RAISHIN code. Simulation results show that the presence of a magnetic field may change the properties of the shock interface between the tenuous, overpressured jet (V(sub j) (sup z)) flowing tangentially to a dense external medium. Magnetic fields can lead to more efficient acceleration of the jet, in comparison to the pure-hydrodynamic case. A poloidal magnetic field (B(sup z)), tangent to the interface and parallel to the jet flow, produces both a stronger outward moving shock and inward moving rarefaction wave. This leads to a large velocity component normal to the interface in addition to acceleration tangent to the interface, and the jet is thus accelerated to a larger Lorentz factors than those obtained in the pure-hydrodynamic case. In contrast, a strong toroidal magnetic field (B(sup y)), tangent to the interface but perpendicular to the jet flow, also leads to stronger acceleration tangent to the shock interface relative to the pure-hydrodynamic case, but to a lesser extent than found for the poloidal case due to the fact that the velocity component normal to the shock interface is now much smaller. Overall, the acceleration efficiency in the toroidal case is less than that of the poloidal case but both geometries still result in higher Lorentz factors than the pure-hydrodynamic case. Thus, the presence and relative orientation of a magnetic field in relativistic jets can have a significant influence on the hydrodynamic boost mechanism studied by Aloy & Rezzolla (2006).

Mizuno, Yosuke↗

DOE OSTI2020

Hydrodynamics of countercurrent flows in a structured packed column: effects of initial wetting and dynamic contact angle

The structured packed column has gained considerable attention as a prospective technology to mitigate carbon dioxide emissions from thermal power plants. The computational flow investigation of such systems is a multiscale problem, and local hydrodynamics plays a key role in overall column efficiency. Accordingly, multiphase flow studies in the representative elementary unit (REU) of a packed column can offer insights into the local flow behavior such as flow pattern, interfacial area, etc. The interfacial area plays a key role in the overall interphase mass transfer and thereby in separation efficiency. The predicted effective area matches well with corresponding ones in experiments for Mellapak 250.Y packings. The contact angle (i.e., solid substrate behavior) is one of the critical factors that dictates wettings, and thereby the interfacial area. The dynamic contact angle (DCA) was considered in order to explore the effects of contact angle hysteresis on the interfacial area. DCA has more pronounced impact on the interfacial area for a solvent possessing a higher value of surface tension and equilibrium contact angle. The interfacial area shows temporal undulation and does not achieve a pseudo steady state due to the capillary force. In contrary, the interfacial area gets a net value for a solvent having low surface tension value. Further, specification of the static contact angle at the solid substrate shows the least value of the interfacial area. We also extensively studied the effect of the initial sheet condition (dry vs wet) on the interfacial area. The initially wetted sheets show slightly higher value of the interfacial area as compared to the initially dry sheets at a fixed flow rate for a solvent having high surface tension value. Wetting hysteresis decreases with increasing liquid loads. On the other hand, wetting hysteresis does not occur for a solvent having value of low surface tension and equilibrium contact angle.

structured packings, dynamic contact angle, interf↗

DOE OSTI2019

Extreme Load Computational Fluid Dynamics Analysis and Verification for a Multibody Wave Energy Converter

A wave energy converter (WEC) must be designed to survive the extreme sea states that it will be subject to throughout its lifetime. Although there are many analysis methods and codes available to accomplish this, there are currently several engineering challenges to WEC survival design. Foremost, the computational design approach will typically involve a trade-off between accuracy and computational efficiency. Additionally, most computational fluid dynamics (CFD) codes are not ideally suited to modeling extreme events for WECs with multibody dynamics, power-take-off systems, and mooring systems. Finally, although WEC design standards and CFD guidelines are emerging, with the current immaturity of the WEC industry, they are not yet well established. In this study, loads on a 1:35-scale, moored, multibody WEC are evaluated with CFD. The CFD results are compared with results obtained from a computationally efficient, midfidelity model based on linearized potential flow hydrodynamics. For these model verification comparisons, both operational and survival configurations are considered. The extreme load results obtained, using both codes, indicate that the survival configuration successfully sheds loads during extreme sea states. It is also found that WEC-Sim, when appropriately applied, can provide reasonable load results, at a fraction of the computational expense of CFD. However, for the more extreme sea states, and for higher-order effects not included in the WEC-Sim model, the linear-based results have significant errors in comparison to the CFD-based results, and should be used judiciously.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

Investigation of the Role of the Role of Nuclear Physics in Heavy Element Nucleosynthesis, through the Study of Key Reactions, and the Improvement of Theoretical Reaction Rates (Final Report)

Neutrino-driven winds in core-collapse supernovae have been identified as a possible site for the production of elements heavier than iron. Traditionally, these neutrino-driven winds have been proposed as the site of the main r-process. Recent simulations fail to reproduce the conditions required for the main r-process. while they remain a promising site for producing the lightest elements beyond iron, e.g., Sr, Y, and Zr through the νp process. The efficiency of the νp process depends on the hydrodynamical conditions, the electron fraction (which is related to the neutrino properties), and the nuclear reactions on many short-lived nuclei with limited (if at all) experimental information. The reaction rates on these nuclei are based on theoretical predictions using the Hauser-Feshbach model. Recent sensitivity studies have highlighted the importance of neutron-induced reactions on these nuclei along the νp process path. This work aimed to experimentally constrain reaction rates that are known to play a key role in the neutrino-p process nucleosynthesis. A secondary subsequently-added objective was to start the implementation of techniques that improve the description of nuclear properties in the Hauser-Feshbach model by extending the microscopic nuclear level density description offered via the shell model to high excitation energies without using experiment-based renormalizations. The main objective of this work was the experimental constraint of the 56 Ni(n,p) 56 Co reaction rate via a measurement of the inverse reaction 56 Co(p,n) 56 Ni at the National Superconducting Cyclotron Laboratory (NSCL) and later the Facility for Rare Isotope Beams (FRIB). This reaction is considered the key one for determining the yields possible by the neutrino-p process. A technique for this type of measurement in inverse kinematics at low energies did not exist before this work. The work also had two secondary objectives. First, to contribute to efforts to measure the same reaction in direct kinematics using a radioactive target at Los Alamos National Laboratory (LANL), and second, to advance work to implement shell-model-deduced microscopic level densities in Hauser-Feshbach calculations. The project has resulted in the development of the first technique to perform (p,n) cross-section measurements in relevant-for-astrophysics low energies in inverse kinematics using a magnetic spectrometer or separator, and neutron detectors for neutron tagging. It has also resulted in the precise measurement of the cross-section of the 40 Ar(p,n) 40 K reaction in a proof-of-principle experiment realized by using a beam-line quadrupole of the ReA3 accelerator of NSCL/FRIB. As part of this project the technique was successfully adapted to make use of the superior acceptance of the Separator for Capture Reactions (SECAR) at FRIB. In this project, the required experimental setup simulations and beam optics were developed and tested with the measurement of the 58 Fe(p,n) 58 Cu reaction cross-section. Additionally, this project contributed with simulation work to the development of a technique to measure (n,p) reactions with radioactive targets at LANL, and which resulted in the measurement of the key 56 Ni(n,p) 56 Co reaction cross-section at neutron energies above ≈1 MeV. Last, the project initiated work in the development of shell model based level densities using the moments method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Comparative study of machine learning techniques for post-combustion carbon capture systems

Computational analysis of countercurrent flows in packed absorption columns, often used in solvent-based post-combustion carbon capture systems (CCSs), is challenging. Typically, computational fluid dynamics (CFD) approaches are used to simulate the interactions between a solvent, gas, and column's packing geometry while accounting for the thermodynamics, kinetics, heat, and mass transfer effects of the absorption process. These simulations can then be used explain a column's hydrodynamic characteristics and evaluate its CO 2 -capture efficiency. However, these approaches are computationally expensive, making it difficult to evaluate numerous designs and operating conditions to improve efficiency at industrial scales. In this work, we comprehensively explore the application of statistical ML methods, convolutional neural networks (CNNs), and graph neural networks (GNNs) to aid and accelerate the scale-up and design optimization of solvent-based post-combustion CCSs. We apply these methods to CFD datasets of countercurrent flows in absorption columns with structured packings characterized by several geometric parameters. We train models to use these parameters, inlet velocity conditions, and other model-specific representations of the column to estimate key determinants of CO 2 -capture efficiency without having to simulate additional CFD datasets. We also evaluate the impact of different input types on the accuracy and generalizability of each model. We discuss the strengths and limitations of each approach to further elucidate the role of CNNs, GNNs, and other machine learning approaches for CO 2 -capture property prediction and design optimization.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1991

CFD Applications in Propulsion

An overview of various applications of Computational Fluid Dynamics (CFD) algorithms to propulsion problems is given. Topics of interest include incompressible, low speed compressible, transonic, and supersonic problems. A common family of algorithms is used for all applications and emphasis is placed on maintaining accuracy and convergence efficiency for all problems. Specific problems include pump hydrodynamics, simultaneous combustion and mixing in rocket engines, viscous nozzle flow, and CFD applications to combustion stability.

Merkle, Charles L.↗

NASA NTRS1994

Accretion disk coronae in high-luminosity systems

We present the results of self-consistent models of Compton-heated accretion disk coronae. The models are calculated using a new method for computing monochromatic radiative transfer n two dimensions. The method splits the radiation into direct and scattered components. The direct radiation is computed by calculating the optical depth along rays, while transfer of the scattered radiation is approximated by flux-limited diffusion. The resulting code agrees with more accurate treatments to within 50%, and is highly efficient, making it practical for use in large hydrodynamic simulations. The coronal models are used to confirm the results of earlier work, and to extend it to higher luminosities. In contrast to earlier work, which found the outer disks to be shadowed by the inner corona at high luminosities, we find our results to form an almost continuous extension of the models at lower luminosities. This is due to the presence of multiply scattered radiation, which acts to partially offset the loss of direct radiation from the central source. Although the analytic methods derived at lower luminosities cannot be used to derive the coronal structure for L/L(sub Edd) approx. greater than 0.1, the results of the models are amenable to semiempirical fits. We also discuss possible observational consequences of the results for coronal veiling and line fluorescence from the disk.

Murray, Stephen D.↗

DOE OSTI2019

Extreme Load Computational Fluid Dynamics Analysis and Verification for a Multibody Wave Energy Converter: Preprint

16 TIDAL AND WAVE POWER↗

DOE OSTI2019

Physics of picosecond pulse laser ablation

This study investigates the physical processes involved in picosecond pulse (20-28 ps FWHM) laser ablation of Al 6061, 316L stainless steel, and undoped crystalline Si ($\langle$100$\rangle$) over a range of laser wavelength (355 nm and 1064 nm) and fluence (0.1-40 J/cm 2 ). Experimental measurements of material ablation rate show enhanced removal at the 355 nm wavelength, primarily due to laser-plasma interaction (LPI) within the ablative plume that approaches an order of magnitude increase over the measured removal at 1064 nm. A transition in the ablation rate at 355 nm is identified around ~10 J/cm 2 above which the removal efficiency increases by a factor of two to three. Multi-physics radiation hydrodynamic simulations, considering LPI effects and utilizing a novel mixed-phase equation of state model, show that the transition in ablation efficiency is due to the onset of melt ejection through cavitation, where laser-driven shock heating sets the depth of melt penetration and the ensuing release wave from the ablation surface drives cavitation through the imposition of tensile strain within the melt. High-speed pump-probe imaging of the ejecta and ejecta collection studies, as well as scanning electron microscopy of the ablation craters, support the proposed cavitation mechanism in the higher fluence range. The ablation process is vitally influenced by LPI effects and the thermophysical properties of the material.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Application of a theory and simulation-based convective boundary mixing model for AGB star evolution and nucleosynthesis

The s-process nucleosynthesis in Asymptotic giant branch (AGB) stars depends on the modeling of convective boundaries. We present models and s-process simulations that adopt a treatment of convective boundaries based on the results of hydrodynamic simulations and on the theory of mixing due to gravity waves in the vicinity of convective boundaries. Hydrodynamics simulations suggest the presence of convective boundary mixing (CBM) at the bottom of the thermal pulse-driven convective zone. Similarly, convection-induced mixing processes are proposed for the mixing below the convective envelope during third dredge-up (TDU), where the {sup 13}C pocket for the s process in AGB stars forms. In this work, we apply a CBM model motivated by simulations and theory to models with initial mass M = 2 and M=3 M{sub ⊙}, and with initial metal content Z = 0.01 and Z = 0.02. As reported previously, the He-intershell abundances of {sup 12}C and {sup 16}O are increased by CBM at the bottom of the pulse-driven convection zone. This mixing is affecting the {sup 22}Ne(α, n){sup 25}Mg activation and the s-process efficiency in the {sup 13}C-pocket. In our model, CBM at the bottom of the convective envelope during the TDU represents gravity wave mixing. Furthermore, we take into account the fact that hydrodynamic simulations indicate a declining mixing efficiency that is already about a pressure scale height from the convective boundaries, compared to mixing-length theory. We obtain the formation of the {sup 13}C-pocket with a mass of ≈10{sup −4} M{sub ⊙}. The final s-process abundances are characterized by 0.36<[s/Fe]<0.78 and the heavy-to-light s-process ratio is −0.23<[hs/ls]<0.45. Finally, we compare our results with stellar observations, presolar grain measurements and previous work.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Modelling low Mach number stellar hydrodynamics with MAESTROeX

Modelling long-time convective flows in the interiors of stars is extremely challenging using conventional compressible hydrodynamics codes due to the acoustic timestep limitation. Many of these flows are in the low Mach number regime, which allows us to exploit the relationship between acoustic and advective time scales to develop a more computationally efficient approach. MAESTROeX is an open source low Mach number stellar hydrodynamics code that allows much larger timesteps to be taken, therefore enabling systems to be modelled for much longer periods of time. This is particularly important for the problem of convection in the cores of rotating massive stars prior to core collapse. To fully capture the dynamics, it is necessary to model these systems in three dimensions at high resolution over many rotational periods. We present an overview of MAESTROeX's current capabilities, describe ongoing work to incorporate the effects of rotation and discuss how we are optimising the code to run on GPUs.

Harpole, A.↗