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At least 199 records · Page 11

Impact of 3D Structure on Magnetic Reconnection

Results from 2.5D and 3D studies of the onset and development of the tearing instability are presented, using high fidelity resistive MHD simulations. A limited parameter study of the strength of the reconnecting field (or shear angle) was performed. An initially simple 1D equilibrium was used, consisting of a modified force-free current sheet, with periodic boundary conditions in all directions. In all cases, the linear and nonlinear evolution led to a primary current sheet between two large flux ropes. The global reconnection rate during this later stage was analyzed in all simulations. It was found that in 2.5D the primary current sheet fragmented owing to plasmoids, and as expected, the global reconnection rate, calculated using multiple methods, increases with the strength of the reconnecting field owing to a stronger Alfvén speed. In 3D, the presence of interacting oblique modes of the tearing instability complicates the simple 2.5D picture, entangling the magnetic field of the inflow and introducing a negative effect on the reconnection rate. The two competing effects of stronger Alfvén speed and entangling, which both increase with the strength of the reconnecting field, resulted in a decrease in the reconnection rate with increasing reconnecting field. For all simulations, the 3D rates were less than in 2.5D but suggest that as one goes to weak reconnecting field (or strong guide field) the system becomes more 2.5D-like and the 2.5D and 3D rates converge. These results have relevance to situations like nanoflare heating and flare current sheets in the corona.

Lars K S Daldorff↗

An Approach for Practical Grid-Resolved Roughness Aerothermodynamic Simulations for Woven Heatshield Surfaces

An approach for simulating the aerothermal environment over a patterned roughness surface within an otherwise axisymmetric flow is developed. The patterned roughness is simplified into a sinusoidal shape that captures the basic features of a charred 3MDCP ablator. Two orientations of this pattern, which are equally flight relevant due to the forming process, enable periodic boundary conditions along the edges of a grid spanning a single roughness element. This simplified three-dimensional grid represents the minimum problem size for a patterned roughness simulation, which enables computationally efficient grid-resolved roughness simulations. This approach is validated by simulating the Langley Mach 6 measurements made on a similar sinusoidal surface, which results in convective heating within 5% of the experimental data. Applying this approach to Mars Sample Return (MSR) Earth Entry System (EES) flight cases, considering simulations with both 11 species air and 30 species air with ablation products, results in heating augmentation that is slightly lower than the widely-used Dahm correlation approach, with the difference being dependent on pattern orientation. This result provides the only insight into the behavior of the roughness augmentation at the high temperature reacting flow conditions present for EES flight cases, which are not captured by available ground test measurements. For shear augmentation, the simulations revealed that the surface-parallel pressure component is dominant. For arc-jet tests targeted to flight values for shear, the higher arc-jet pressures required to match flight values for shear result in up to a 400% increase in the rough wall shear value, which is not captured by the Dahm correlation. This indicates that, to avoid significant over-testing, grid-resolved roughness simulations are required to determine arc-jet conditions that produce flight shear levels in rough-wall scenarios.

Christopher O Johnston↗

Development of neural network force fields for corrosion studies

To fully understand the chemistry and physics of corrosion, novel methods of simulation must be developed. One approach is designing machine learning (ML) algorithms integrated with density functional theory to develop adaptive force fields to gain insight into corrosion behavior namely at the surface of metal oxides. Current methods of modeling corrosion are slow due to the computational cost of resolving both reaction mechanics and mass transport processes. Machine learning methods can be implemented to obtain structure-activity relationships at both the molecular and bulk scale while still retaining the accuracy of density functional theory (DFT) and significantly decreasing the time needed for simulations of complex chemical processes in the various environments of corrosion. Multiscale models are needed for corrosion studies to fully understand its processes not only at the atomic length scale (chemical bonding, energies, and forces), but also at the nano and meso length scales (solid-state physics and material science processes). Current methods of study include DFT, molecular dynamics, and Monte Carlo. The limitation of DFT is that only a small number of atoms or molecules can be simulated at that level of theory. Density functional theory is used to study the electronic structure of atoms and molecules, and calculate the force component of each atom. However, these calculations are limited to about 1000 atoms. Custom periodic boundary conditions (PBC) can be used to describe the various environments and defects that affect the atomic forces to produce a large data set from which a training set can be derived. Machine learning can be utilized to overcome the barrier of modeling macroscopic and multi-scale processes from ab initio calculations through the development of adaptive force fields. Local environments determine the atomic forces of a given system, therefore adaptive force fields must be created to produce reliable quantum mechanical calculations. This can be achieved by developing a learning algorithm that uses the mapped atomic forces or fingerprint as an input to produce energies and magnetic moments as output. A systematic approach was used to begin to build a data set in order to accurately describe the atomic forces in various environments. In Figure 4 below, a simple PBC cell of Fe{sub 2}O{sub 3} was first optimized. A surface optimization was performed next, followed by a hydroxylated surface optimization. Once this calculation has converged, the adsorption of halide species to the hydroxylated surface will be investigated. TensorFlow is an open source platform for machine learning developed by Google. Using a high level application program interface (API) such as Keras allows for building and training ML models easily in a number of different environments and languages. For this project, a neural network was developed within Anaconda in Python. Future Work: Further development of reference data set; Refining neural network and learning algorithm; Fingerprinting atomic environment to enable mapping of atomic force components; Choosing appropriate training set from reference data; Learning from training set and enabling non-linear mapping of training set fingerprints and the atomic forces; Estimation of uncertainty to identify ranges of outside applicability; Testing and analysis of molecular dynamic simulations.

36 MATERIALS SCIENCE↗

Spectral multigrid methods for elliptic equations

An alternative approach which employs multigrid concepts in the iterative solution of spectral equations was examined. Spectral multigrid methods are described for self adjoint elliptic equations with either periodic or Dirichlet boundary conditions. For realistic fluid calculations the relevant boundary conditions are periodic in at least one (angular) coordinate and Dirichlet (or Neumann) in the remaining coordinates. Spectral methods are always effective for flows in strictly rectangular geometries since corners generally introduce singularities into the solution. If the boundary is smooth, then mapping techniques are used to transform the problem into one with a combination of periodic and Dirichlet boundary conditions. It is suggested that spectral multigrid methods in these geometries can be devised by combining the techniques.

Zang, T. A.↗

One-way nesting for a primitive equation ocean model

Prognostic numerical models for atmospheric and oceanic circulations require initial fields, boundary conditions, and forcing functions in addition to a consistent set of partial differential equations, including a state relation and equations expressing conservation of mass, momentum, and energy. Depending on the horizontal domain to be modeled, the horizontal boundary conditions are either physically obvious or extremely difficult to specify consistently. If the entire atmosphere is modeled, periodic horizontal boundary conditions are appropriate. On the other hand, the physical horizontal boundaries on the entire ocean are solid walls. Obviously, the normal velocity at a solid wall is zero while the specification of the tangential velocity depends on the mathematical treatment of the horizontal viscous terms. Limitations imposed by computer capacity and cost, as well as research interests, have led to the use of limited area models to study flows in the atmosphere and ocean. The limited area models do not have physical horizontal boundaries, merely numerical ones. Correctly determining these open boundary conditions for limited-area numerical models has both intrigued and frustrated numerical modelers for decades. One common approach is to use the closed or solid wall boundary conditions for a limited-area model. The argument given for this approach is that the boundary conditions affect flow near the walls but that none of these effects are propagated into the interior. Therefore, one chooses a big enough domain that the central region of interest is not corrupted by the boundary flow. Research in progress to model the North Atlantic circulation vividly illustrates the pitfalls of this approach. Two model runs are compared: (1) the southern boundary at 20S between latitudes 0 and 40W is artificially closed; and (2) the same boundary is specified as open with an inward transport of 15 Sv (determined from a global model with the same physics) uniformly spread across the boundary. A comparison of both runs is presented.

Blake, D. W.↗

Dynamical Interpolation of Mesoscale Flows in the TOPEX/Poseidon Diamond Surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study Site

An open boundary ocean model is configured in a domain bounded by the four TOPEX/Poseidon (T/P) ground tracks surrounding the US Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study (BATS) site. This implementation facilitates prescription of model boundary conditions directly from altimetric measurements (both TIP and ERS-2). The expected error characteristics for a domain of this size with periodically updated boundary conditions are established with idealized numerical experiments using simulated data. A hindcast simulation is then constructed using actual altimetric observations during the period October 1992 through September 1998. Quantitative evaluation of the simulation suggests significant skill. The correlation coefficient between predicted sea level anomaly and ERS observations in the model interior is 0.89; that for predicted versus observed dynamic height anomaly based on hydrography at the BATS site is 0.73. Comparison with the idealized experiments suggests that the main source of error in the hindcast is temporal undersampling of the boundary conditions. The hindcast simulation described herein provides a basis for retrospective analysis of BATS observations in the context of the mesoscale eddy field.

McGillicuddy, Dennis J., Jr.↗

Dynamical Interpolation of Mesoscale Flows in the TOPEX/ Poseidon Diamond Surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study Site

An open boundary ocean model is configured in a domain bounded by the four TOPEX/Poseidon (TIP) ground tracks surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-series Study (BATS) site. This implementation facilitates prescription of model boundary conditions directly from altimetric measurements (both TIP and ERS-2). The expected error characteristics for a domain of this size with periodically updated boundary conditions are established with idealized numerical experiments using simulated data. A hindcast simulation is then constructed using actual altimetric observations during the period October 1992 through September 1998. Quantitative evaluation of the simulation suggests significant skill. The correlation coefficient between predicted sea level anomaly and ERS observations in the model interior is 0.89; that for predicted versus observed dynamic height anomaly based on hydrography at the BATS site is 0.73. Comparison with the idealized experiments suggests that the main source of error in the hindcast is temporal undersampling of the boundary conditions. The hindcast simulation described herein provides a basis for retrospective analysis of BATS observations in the context of the mesoscale eddy field.

McGillicuddy, D. J.↗

Effect of Reynolds Number and Periodic Unsteady Wake Flow Condition on Boundary Layer Development, Separation, and Intermittency Behavior Along the Suction Surface of a Low Pressure Turbine Blade

The paper experimentally studies the effects of periodic unsteady wake flow and different Reynolds numbers on boundary layer development, separation and re-attachment along the suction surface of a low pressure turbine blade. The experimental investigations were performed on a large scale, subsonic unsteady turbine cascade research facility at Turbomachinery Performance and Flow Research Laboratory (TPFL) of Texas A&M University. The experiments were carried out at Reynolds numbers of 110,000 and 150,000 (based on suction surface length and exit velocity). One steady and two different unsteady inlet flow conditions with the corresponding passing frequencies, wake velocities, and turbulence intensities were investigated. The reduced frequencies chosen cover the operating range of LP turbines. In addition to the unsteady boundary layer measurements, surface pressure measurements were performed. The inception, onset, and the extent of the separation bubble information collected from the pressure measurements were compared with the hot wire measurements. The results presented in ensemble-averaged, and the contour plot forms help to understand the physics of the separation phenomenon under periodic unsteady wake flow and different Reynolds number. It was found that the suction surface displayed a strong separation bubble for these three different reduced frequencies. For each condition, the locations defining the separation bubble were determined carefully analyzing and examining the pressure and mean velocity profile data. The location of the boundary layer separation was dependent of the Reynolds number. It is observed that starting point of the separation bubble and the re-attachment point move further downstream by increasing Reynolds number from 110,000 to 150,000. Also, the size of the separation bubble is smaller when compared to that for Re=110,000.

Schobeiri, M. T.↗

Effect of Reynolds Number and Periodic Unsteady Wake Flow Condition on Boundary Layer Development, Separation, and Re-attachment along the Suction Surface of a Low Pressure Turbine Blade

The paper experimentally studies the effects of periodic unsteady wake flow and different Reynolds numbers on boundary layer development, separation and re-attachment along the suction surface of a low pressure turbine blade. The experimental investigations were performed on a large scale, subsonic unsteady turbine cascade research facility at Turbomachinery Performance and Flow Research Laboratory (TPFL) of Texas A&M University. The experiments were carried out at Reynolds numbers of 110,000 and 150,000 (based on suction surface length and exit velocity). One steady and two different unsteady inlet flow conditions with the corresponding passing frequencies, wake velocities, and turbulence intensities were investigated. The reduced frequencies chosen cover the operating range of LP turbines. In addition to the unsteady boundary layer measurements, surface pressure measurements were performed. The inception, onset, and the extent of the separation bubble information collected from the pressure measurements were compared with the hot wire measurements. The results presented in ensemble-averaged, and the contour plot forms help to understand the physics of the separation phenomenon under periodic unsteady wake flow and different Reynolds number. It was found that the suction surface displayed a strong separation bubble for these three different reduced frequencies. For each condition, the locations defining the separation bubble were determined carefully analyzing and examining the pressure and mean velocity profile data. The location of the boundary layer separation was dependent of the Reynolds number. It is observed that starting point of the separation bubble and the re-attachment point move further downstream by increasing Reynolds number from 110,000 to 150,000. Also, the size of the separation bubble is smaller when compared to that for Re=110,000.

Ozturk, B.↗

A coupled DEM-IMB-LBM model for simulating methane hydrate exploitation involving particle dissolution

The coupled discrete element and lattice Boltzmann method using an immersed moving boundary scheme was extended to simulate methane hydrate exploitation involving mass transport and particle dissolution. In this coupled DEM-IMB-LBM model, a new Dirichlet-type thermal boundary condition is extended to simulate moving curved boundaries with constant concentration. A novel periodic boundary including an efficient searching algorithm for particle contact is proposed to reduce the computational cost and boundary effect. So, this model is validated by two numerical examples: a circular particle with concentration convection-diffusion moving in a horizontal channel and mass transport from a cylinder particle in a simple shear flow. The numerical results obtained from the proposed model agree well with previous studies. To further demonstrate the capacity of the proposed model, simulations of methane hydrate exploitation including two formations in marine sediments are carried out. The numerical results indicate that the coupled DEM-IMB-LBM is not only capable of simulating the dissolution of hydrate particles at the grain level, but also recover the sand erosion and migration process in a fundamental perspective during the methane hydrate exploitation process.

42 ENGINEERING↗

Investigating the relationship between simulation parameters and flow variables in simulating atmospheric gravity waves for wind energy applications

Wind farms, particularly offshore clusters, are becoming larger than ever before. Besides influencing the surface wind flow and the inflow for downstream wind farms, large wind farms can trigger atmospheric gravity waves in the inversion layer and the free atmosphere aloft. Wind-farm-induced gravity waves can cause adverse pressure gradients upstream of the wind farm, which contribute to the global blockage effect, and can induce favorable pressure gradients above and downstream of the wind farm that enhance wake recovery. Numerical modeling is a powerful means of studying these wind-farm-induced atmospheric gravity waves, but it comes with the challenge of handling spurious reflections of these waves from domain boundaries. Typically, approaches which employ radiation boundary conditions and forcing zones are used to avoid these reflections. However, the simulation setup of these approaches relies heavily on ad hoc processes. For instance, the widely used Rayleigh damping method requires ad hoc tuning to produce a setup that may only produce satisfactory results for a particular case. To provide more systematic guidance on setting up realistic simulations of atmospheric gravity waves, we conduct a large-eddy simulation (LES) study of flow over a 2D hill and through a wind farm canopy that explores the optimum domain size and damping layer setup depending on the fundamental parameters which determine the flow characteristics. In this work, we only consider linearly stratified conditions (i.e., no inversion layer), thereby focusing on internal gravity waves in the free atmosphere and their reflections from the domain boundaries. This type of flow is governed by a single Froude number, which dictates most of the internal wave properties, such as wavelength, amplitude, and direction. This, in turn, will dictate the optimum domain size and Rayleigh damping layer setup. We find the effective horizontal and vertical wavelengths (the representative wavelengths of the entire wave spectrum) to be the appropriate length scales to size the domain and damping layer thickness, and the optimal Rayleigh damping coefficient scales with the Brunt–Väisälä frequency. Considering Froude numbers seen in wind farm applications, we propose recommendations to limit the reflections to less than 10 % of the total upward-propagating wave energy. Typically, damping is done at the top boundary, but given the non-periodic lateral boundary conditions of practical wind farm simulation domains, we find that damping the inflow–outflow boundaries is of equal importance to damping the top boundary. The Brunt–Väisälä frequency-normalized damping coefficient should be between 1 and 10. The damping layer thickness should be at least one effective vertical wavelength; damping layers exceeding 1.5 times the vertical wavelength are found to be unnecessary. The domain length and height should accommodate at least one effective horizontal and vertical wavelength, respectively. Moreover, Rayleigh damping does not damp the waves completely, and the non-damped energy might accumulate over the simulation time.

17 WIND ENERGY↗

Physics–Informed Neural Networks of the Saint–Venant Equations for Downscaling a Large–Scale River Model

Large-scale river models are being refined over coastal regions to improve the scientific understanding of coastal processes, hazards and responses to climate change. However, coarse mesh resolutions and approximations in physical representations of tidal rivers limit the performance of such models at resolving the complex flow dynamics near the river-ocean interface, resulting in inaccurate simulations of flood inundation. In this research, we propose a machine learning (ML) framework based on the state-of-the-art physics-informed neural network (PINN) to simulate the downscaled flow at the subgrid scale. First, we demonstrate that PINN is able to assimilate observations of various types and solve the one-dimensional (1-D) Saint-Venant equations (SVE) directly. We perform the flow simulations over a floodplain and along an open channel in several synthetic case studies. The PINN performance is evaluated against analytical solutions and numerical models. Our results indicate that the PINN solutions of water depth have satisfactory accuracy with limited observations assimilated. In the case of flood wave propagation induced by storm surge and tide, a new neural network architecture is proposed based on Fourier feature embeddings that seamlessly encodes the periodic tidal boundary condition in the PINN's formulation. Furthermore, we show that the PINN-based downscaling can produce more reasonable subgrid solutions of the along-channel water depth by assimilating observational data. The PINN solution outperforms the simple linear interpolation in resolving the topography and dynamic flow regimes at the subgrid scale. This study provides a promising path towards improving emulation capabilities in large-scale models to characterize fine-scale coastal processes.

54 ENVIRONMENTAL SCIENCES↗

Eulerian simulations of electrostatic waves in plasmas with a single sign of charge

An Eulerian, numerical simulation is used to model the launching of plasma waves in a non-neutral plasma that is confined in a Penning–Malmberg trap. The waves are launched by applying an oscillating potential to an electrically isolated sector at one end of the conducting cylinder that bounds the confinement region and are received by another electrically isolated sector at the other end of the cylinder. The launching of both Trivelpiece–Gould waves and electron acoustic waves is investigated. Adopting a stratagem, the simulation captures essential features of the finite length plasma, while retaining the numerical advantages of a simulation employing periodic spatial boundary conditions. As a benchmark test of the simulation, the results for launched Trivelpiece–Gould waves of small amplitude are successfully compared to a linearized analytic solution for these fluctuations.

Physics↗

Generalized random forces for rectangular panels.

Generalized random forces for rectangular panels under subsonic and supersonic boundary-layer turbulence are studied in time domain by a Monte Carlo approach. Panels with simple, fixed, elastic-free, and periodic elastic boundary conditions are considered. The nature of probability structure, peak distribution, threshold crossing, and cross spectral density is investigated.

Vaicaitis, R.↗

Some spectral approximation of one-dimensional fourth-order problems

Some spectral type collocation method well suited for the approximation of fourth-order systems are proposed. The model problem is the biharmonic equation, in one and two dimensions when the boundary conditions are periodic in one direction. It is proved that the standard Gauss-Lobatto nodes are not the best choice for the collocation points. Then, a new set of nodes related to some generalized Gauss type quadrature formulas is proposed. Also provided is a complete analysis of these formulas including some new issues about the asymptotic behavior of the weights and we apply these results to the analysis of the collocation method.

Bernardi, Christine↗

Three-dimensional fully spectral numerical method for mantle convection with depth-dependent properties

A semi-implicit fully spectral collocation method for the simulation of three-dimensional mantle convection with depth-dependent thermo-dynamic and transport properties is presented. The variable property Navier-Stokes equation expressed in terms of the primitive variable velocity and pressure is solved with the mass continuity and temperature equations. The periodic horizontal boundary conditions allow a Fourier expansion for the two horizontal directions. The stress-free, impermeable isothermal boundary conditions along with the depth dependent coefficients are handled with a Chebyshev expansion in the vertical direction. In the limit of an infinite Prandtl number appropriate to mantle convection, the inertial terms in the momentum equation are unimportant. In this case an explicit solution of a Poisson equation for pressure can be avoided; instead a fourth-order equation for vertical velocity can be solved. Simultaneous imposition of both impermeable and continuity boundary conditions during the vertical velocity evaluation is discussed. The pressure distributions on the top and bottom bounding planes were determined by means of an influence matrix technique. The numerical method employed here avoids time-splitting errors and enforces velocity boundary conditions and continuity over the entire domain, including the boundaries, to machine accuracy. Strongly time-dependent three-dimensional solutions up to a surface Rayleigh number of 1 x 10(exp 7) have been obtained. Strong upwellings, pulsating chaotically, are formed by the collective merging of cylindrical plumes.

Balachandar, S.↗

Kolmogorov Flow in Three Dimensions

A numerical study of the long-time evolution of incompressible Navier-Stokes turbulence forced at a single long-wavelength Fourier mode, i.e., a Kolmogorov flow, has been completed. The boundary conditions are periodic in three dimensions and the forcing is effected by imposing a steady, two-dimensional, sinusoidal shear velocity which is directed along the x-direction and varies along the z-direction. A comparison with experimental data shows agreement with measured cross-correlations of the turbulent velocity components which lie in the mean-flow plane. A statistical analysis reveals that the shear-driven turbulence studied here has significant spectral anisotropy which increases with wave number.

Shebalin, John V.↗

Computations of Boiling in Microgravity

The absence (or reduction) of gravity, can lead to major changes in boiling heat transfer. On Earth, convection has a major effect on the heat distribution ahead of an evaporation front, and buoyancy determines the motion of the growing bubbles. In microgravity, convection and buoyancy are absent or greatly reduced and the dynamics of the growing vapor bubbles can change in a fundamental way. In particular, the lack of redistribution of heat can lead to a large superheat and explosive growth of bubbles once they form. While considerable efforts have been devoted to examining boiling experimentally, including the effect of microgravity, theoretical and computational work have been limited. Here, the growth of boiling bubbles is studied by direct numerical simulations where the flow field is fully resolved and the effects of inertia, viscosity, surface deformation, heat conduction and convection, as well as the phase change, are fully accounted for. Boiling involves both fluid flow and heat transfer and thus requires the solution of the Navier-Stokes and the energy equations. The numerical method is based on writing one set of governing transport equations which is valid in both the liquid and vapor phases. This local, single-field formulation incorporates the effect of the interface in the governing equations as source terms acting only at the interface. These sources account for surface tension and latent heat in the equations for conservation of momentum and energy as well as mass transfer across the interface due to phase change. The single-field formulation naturally incorporates the correct mass, momentum and energy balances across the interface. Integration of the conservation equations across the interface directly yields the jump conditions derived in the local instant formulation for two-phase systems. In the numerical implementation, the conservation equations for the whole computational domain (both vapor and liquid) are solved using a stationary grid and the phase boundary is followed by a moving unstructured two-dimensional grid. While two-dimensional simulations have been used for preliminary studies and to examine the resolution requirement, the focus is on fully three-dimensional simulations. The numerical methodology, including the parallelization and grid refinement strategy is discussed, and preliminary results shown. For buoyancy driven flow, the heat transfer is in good agreement with experimental correlations. The changes when gravity is turned off and/or fluid shear is added are discussed, as well as the difference between simulations of a layer freely releasing bubbles versus simulations using only one wavelength initial perturbation. Figure 1 shows the early stages of the formation of a three-dimensional bubble from a thin vapor layer. The boundary conditions are periodic in the x and y direction, the bottom is a hot and the top allows a free outflow. The jagged edge of the surface close to the bottom of the computational domain is due to some of the surface elements being on the other side of the domain and some elements not plotted by our plotting routine. In the second figure, we show the temperature distribution through two perpendicular planes.

Tryggvason, G.↗