• Abstract

The accurate simulation of disperse two-phase flows, where a discrete particulate condensed phase is transported by a carrier gas, is crucial for many applications; Eulerian approaches are well suited for high performance computations of such flows. However when the particles from the disperse phase have a significant inertia compared to the time scales of the flow, particle trajectory crossing (PTC) occurs i.e. the particle velocity distribution at a given location can become multi-valued. To properly account for such a phenomenon many Eulerian moment methods have been recently proposed in the literature. The resulting models hardly comply with a full set of desired criteria involving: 1- ability to reproduce the physics of PTC, at least for a given range of particle inertia, 2- well-posedness of the resulting set of PDEs on the chosen moments as well as guaranteed realizability, 3- capability of the model to be associated with a high order realizable numerical scheme for the accurate resolution of particle segregation in turbulent flows. The purpose of the present contribution is to introduce a multi-variate Anisotropic Gaussian closure for such particulate flows, in the spirit of the closure that has been suggested for out-of-equilibrium gas dynamics and which satisfies the three criteria. The novelty of the contribution is three-fold. First we derive the related moment system of conservation laws with source terms, and justify the use of such a model in the context of high Knudsen numbers, where collision operators play no role. We exhibit the main features and advantages in terms of mathematical structure and realizability. Then a second order accurate and realizable MUSCL/HLL scheme is proposed and validated. Finally the behavior of the method for the description of PTC is thoroughly investigated and its ability to account accurately for inertial particulate flow dynamics in typical configurations is assessed.

• Abstract

The design optimization and analysis of charged particle beam systems employing intense beams requires a robust and accurate Poisson solver. This paper presents a new type of Poisson solver which allows the effects of space charge to be elegantly included into the system dynamics. This is done by casting the charge distribution function into a series of basis functions, which are then integrated with an appropriate Green’s function to find a Taylor series of the potential at a given point within the desired distribution region. In order to avoid singularities, a Duffy transformation is applied, which allows singularity-free integration and maximized convergence region when performed with the help of Differential Algebraic methods. The method is shown to perform well on the examples studied. Practical implementation choices and some of their limitations are also explored.

• Abstract

The formation of NaH molecules in the lowest rovibrational level of the ground electronic state is investigated using a pump-dump photoassociation (PA) scheme. In short-range region, two colliding atoms Na and H are efficiently associated into the NaH molecule in the rovibrational |0,0i state of the ground electronic state via the intermediately rovibrational |10,1i state of the excited electronic state. The changes of populations with the electric field amplitudes, frequency detunings, dump pulse duration and delay time between two laser pulses are calculated and discussed. The PA probability reaches 0.623 with a high state-selectivity

• Abstract

We present a general theoretical framework for the formulation of the nonlinear electromechanics of polymeric and biological active media. The approach developed here is based on the additive decomposition of the Helmholtz free energy in elastic and inelastic parts and on the multiplicative decomposition of the deformation gradient in passive and active parts. We describe a thermodynamically sound scenario that accounts for geometric and material nonlinearities. In view of numerical applications, we specialize the general approach to a particular material model accounting for the behavior of fiber reinforced tissues. Specifically, we use the model to solve via finite elements a uniaxial electromechanical problem dynamically activated by an electrophysiological stimulus. Implications for nonlinear solid mechanics and computational electrophysiology are finally discussed.

• Abstract

A two-grid method for solving the Cahn-Hilliard equation is proposed in this paper. This two-grid method consists of two steps. First, solve the Cahn-Hilliard equation with an implicit mixed finite element method on a coarse grid. Second, solve two Poisson equations using multigrid methods on a fine grid. This two-grid method can also be combined with local mesh refinement to further improve the efficiency. Numerical results including two and three dimensional cases with linear or quadratic elements show that this two-grid method can speed up the existing mixed finite method while keeping the same convergence rate.

• Abstract

The subject of the paper is the numerical simulation of the interaction of two-dimensional incompressible viscous flow and a vibrating airfoil with large amplitudes. The airfoil with three degrees of freedom performs rotation around an elastic axis, oscillations in the vertical direction and rotation of a flap. The numerical simulation consists of the finite element solution of the Reynolds averaged Navier-Stokes equations combined with Spalart-Allmaras or k−ω turbulence models, coupled with a system of nonlinear ordinary differential equations describing the airfoil motion with consideration of large amplitudes. The time-dependent computational domain and approximation on a moving grid are treated by the Arbitrary Lagrangian-Eulerian formulation of the flow equations. Due to large values of the involved Reynolds numbers an application of a suitable stabilization of the finite element discretization is employed. The developed method is used for the computation of flow-induced oscillations of the airfoil near the flutter instability, when the displacements of the airfoil are large, up to ±40 degrees in rotation. The paper contains the comparison of the numerical results obtained by both turbulence models.

• Abstract

In this paper, direct numerical simulation (DNS) is presented for spatially evolving turbulent boundary layer over an isothermal flat-plate at Ma∞ = 2.25,5,6,8. When Ma∞ =8, two cases with the ratio of wall-to-reference temperature Tw/T∞ =1.9 and 10.03 are considered respectively. The wall temperature approaches recovery temperatures for other cases. The characteristics of compressible turbulent boundary layer (CTBL) affected by freestream Mach number and wall temperature are investigated. It focuses on assessing compressibility effects and the validity of Morkovin’s hypothesis through computing and analyzing the mean velocity profile, turbulent intensity, the strong Reynolds analogy (SRA) and possibility density function of dilatation term. The results show that, when the wall temperature approaches recovery temperature, the effects of Mach number on compressibility is insignificant. As a result, the compressibility effect is very weak and the Morkovin’s hypothesis is still valid for Mach number even up to 8. However, when Mach number equal to 8, the wall temperature effect on the compressibility is sensitive. In this case, when Tw/T∞ = 1.9, the Morkovin’s hypothesis is not fully valid. The validity of classical SRA depends on wall temperature directly. A new modified SRA is proposed to eliminate such negative factor in near wall region. Finally the effects of Mach number and wall temperature on streaks are also studied.

• Abstract

In this study, the Lattice Boltzmann Method (LBM) is implemented through a finite-volume approach to perform 2-D, incompressible, and turbulent fluid flow analyses on structured grids. Even though the approach followed in this study necessitates more computational effort compared to the standard LBM (the so called stream and collide scheme), using the finite-volume method, the known limitations of the stream and collide scheme on lattice to be uniform and Courant-Friedrichs-Lewy (CFL) number to be one are removed. Moreover, the curved boundaries in the computational domain are handled more accurately with less effort. These improvements pave the way for the possibility of solving fluid flow problems with the LBM using coarser grids that are refined only where it is necessary and the boundary layers might be resolved better.

• Abstract

We propose a positivity preserving entropy decreasing finite volume scheme for nonlinear nonlocal equations with a gradient flow structure. These properties allow for accurate computations of stationary states and long-time asymptotics demonstrated by suitably chosen test cases in which these features of the scheme are essential. The proposed scheme is able to cope with non-smooth stationary states, different time scales including metastability, as well as concentrations and self-similar behavior induced by singular nonlocal kernels. We use the scheme to explore properties of these equations beyond their present theoretical knowledge.

• Abstract

In this paper we propose a general framework for the uncertainty quantification of quantities of interest for high-contrast single-phase flow problems. It is based on the generalized multiscale finite element method (GMsFEM) and multilevel Monte Carlo (MLMC) methods. The former provides a hierarchy of approximations of different resolution, whereas the latter gives an efficient way to estimate quantities of interest using samples on different levels. The number of basis functions in the online GMsFEM stage can be varied to determine the solution resolution and the computational cost, and to efficiently generate samples at different levels. In particular, it is cheap to generate samples on coarse grids but with low resolution, and it is expensive to generate samples on fine grids with high accuracy. By suitably choosing the number of samples at different levels, one can leverage the expensive computation in larger fine-grid spaces toward smaller coarse-grid spaces, while retaining the accuracy of the final Monte Carlo estimate. Further, we describe a multilevel Markov chain Monte Carlo method, which sequentially screens the proposal with different levels of approximations and reduces the number of evaluations required on fine grids, while combining the samples at different levels to arrive at an accurate estimate. The framework seamlessly integrates the multiscale features of the GMsFEM with the multilevel feature of the MLMC methods following the work in [26], and our numerical experiments illustrate its efficiency and accuracy in comparison with standard Monte Carlo estimates.

• Abstract

A Newton/LU-SGS (lower-upper symmetric Gauss-Seidel) iteration implicit method was developed to solve two-dimensional Euler and Navier-Stokes equations by the DG/FV hybrid schemes on arbitrary grids. The Newton iteration was employed to solve the nonlinear system, while the linear system was solved with LU-SGS iteration. The effect of several parameters in the implicit scheme, such as the CFL number, the Newton sub-iteration steps, and the update frequency of Jacobian matrix, was investigated to evaluate the performance of convergence history. Several typical test cases were simulated, and compared with the traditional explicit Runge-Kutta (RK) scheme. Firstly the Couette flow was tested to validate the order of accuracy of the present DG/FV hybrid schemes. Then a subsonic inviscid flow over a bump in a channel was simulated and the effect of parameters was investigated also. Finally, the implicit algorithm was applied to simulate a subsonic inviscid flow over a circular cylinder and the viscous flow in a square cavity. The numerical results demonstrated that the present implicit scheme can accelerate the convergence history efficiently. Choosing proper parameters would improve the efficiency of the implicit scheme. Moreover, in the same framework, the DG/FV hybrid schemes are more efficient than the same order DG schemes.