A surface based lattice Boltzmann impedance boundary condition (BC) using Ozyoruk’s model [J. Comput. Phys., 146 (1998), pp. 29-57] is proposed and implemented in PowerFLOW. In Ozyoruk’s model, pressure fluctuation is directly linked to normal velocity on an impedance surface. In the present study, the relation between pressure and normal velocity is realized precisely by imposing a mass flux on the surface. This impedance BC is generalized and can handle complex geometry. Combined with the turbulence model in the lattice Boltzmann solver PowerFLOW, this BC can be used to model the effect of a liner in presence of a complex 3D turbulent flow. Preliminary simulations of the NASA Langley grazing flow tube and Kundt tube show satisfying agreement with experimental results.

An isolated cylindrical void is located inside an incompressible nonlinear-elastic medium whose constitutive behaviour is governed by a neo-Hookean strain energy function. In-plane hydrostatic pressure is applied in the far-field so that the void changes its radius and an inhomogeneous region of deformation arises in the vicinity of the void. We consider scattering from the void in the deformed configuration due to an incident field (of small amplitude) generated by a horizontally polarized shear (SH) line source, a distance r0 (R0) away from the centre of the void in the deformed (undeformed) configuration. We show that the scattering coefficients of this scattered field are unaffected by the pre-stress (initial deformation). In particular, they depend not on the deformed void radius a or distance r0, but instead on the original void size A and original distance R0.

Lagrangian methods are widely used in many fields for multi-material compressible flow simulations such as in astrophysics and inertial confinement fusion (ICF), due to their distinguished advantage in capturing material interfaces automatically. In some of these applications, multiple internal energy equations such as those for electron, ion and radiation are involved. In the past decades, several staggered-grid based Lagrangian schemes have been developed which are designed to solve the internal energy equation directly. These schemes can be easily extended to solve problems with multiple internal energy equations. However such schemes are typically not conservative for the total energy. Recently, significant progress has been made in developing cell-centered Lagrangian schemes which have several good properties such as conservation for all the conserved variables and easiness for remapping. However, these schemes are commonly designed to solve the Euler equations in the form of the total energy, therefore they cannot be directly applied to the solution of either the single internal energy equation or the multiple internal energy equations without significant modifications. Such modifications, if not designed carefully, may lead to the loss of some of the nice properties of the original schemes such as conservation of the total energy. In this paper, we establish an equivalency relationship between the cell-centered discretizations of the Euler equations in the forms of the total energy and of the internal energy. By a carefully designed modification in the implementation, the cell-centered Lagrangian scheme can be used to solve the compressible fluid flow with one or multiple internal energy equations and meanwhile it does not lose its total energy conservation property. An advantage of this approach is that it can be easily applied to many existing large application codes which are based on the framework of solving multiple internal energy equations. Several two dimensional numerical examples for both Euler equations and three-temperature hydrodynamic equations in cylindrical coordinates are presented to demonstrate the performance of the scheme in terms of symmetry preserving, accuracy and non-oscillatory performance.

This paper presents a gaskinetic study and analytical results on high speed rarefied gas flows from a planar exit. The beginning of this paper reviews the results for planar free jet expanding into a vacuum, followed by an investigation of jet impingement on normally set plates with either a diffuse or a specular surface. Presented results include exact solutions for flowfield and surface properties. Numerical simulations with the direct simulation Monte Carlo method were performed to validate these analytical results, and good agreement with this is obtained for flows at high Knudsen numbers. These highly rarefied jet and jet impingement results can provide references for real jet and jet impingement flows.

In this paper we are concerned with numerical methods for nonlinear time-dependent problem coupled by electron, ion and photon temperatures in two dimensions, which is called the 2D-3T heat conduction equations. We propose discontinuous Galerkin (DG) methods for the discretization of the equations. For solving the resulting discrete system, we employ two domain decomposition (DD) preconditioners, one of which is associated with the non-overlapping DDM and the other is based on DDM with small overlap. The preconditioners are constructed by dropping the couplings between particles and each preconditioner consists of three preconditioners with smaller matrix size. To gauge the efficiency of the preconditioners, we test two examples and make different settings of parameters. Numerical results show that the proposed preconditioners are very effective to the 2D-3T problem.

We simulate the particle transport in a thin film deposition process made by PVD (physical vapor deposition) and present several models for projectile and tar-get collisions in order to compute the mean free path and the differential cross section (angular distribution of scattered projectiles) of the scattering process. A detailed description of collision models is of the highest importance in Monte Carlo simulations of high power impulse magnetron sputtering and DC sputtering. We derive an equation for the mean free path for arbitrary interactions (cross sections) that includes the relative velocity between the particles. We apply our results to two major interaction models: hard sphere interaction & screened Coulomb interaction. Both types of interaction separate DC sputtering from HIPIMS.

(Aims) Acupuncture was employed since 2 millenaries, but the underlying mechanisms are not globally handled. The present study is aimed at proposing an explanation by pointing out involved processes and a convincing modeling to demonstrate its efficiency when carried out by trained practitioners.

(Method) In the absence of global knowledge of any mechanism explaining the acupuncture process, a biological model is first developed, based on stimulation in a given domain around the needle tip of a proper mastocyte population by a mechanical stress, electrical, electromagnetic, or heat field. Whatever the type of mechanical or physical stimuli, mastocytes degranulate. Released messengers either facilitate the transfer of main mediators, or target their cognate receptors of local nerve terminals or after being conveyed by blood their receptors on cerebral cells. Signaling to the brain is fast by nervous impulses and delayed by circulating messengers that nevertheless distribute preferentially in the brain region of interest due to hyperemia. The process is self-sustained due to mastocyte chemotaxis from the nearby dense microcirculatory circuit and surrounding mastocyte pools, which are inadequate for acupuncture, but serve as a signal relay. A simple mathematical model is solved analytically. Numerical simulations are also carried out using the finite element method with mesh adaptivity.

(Results) The analytical solution of the simple mathematical model demonstrates the conditions filled by a mastocyte population to operate efficiently. A theorem gives the blow-up condition. This analytical solution serves for validation of numerical experiments. Numerical simulations show that when the needle is positioned in the periphery of the acupoint or outside it, the response is too weak. This explains why a long training is necessary as the needle implantation requires a precision with a magnitude of the order of 1mm.

(Conclusion) The acupoint must contain a highly concentrated population of mastocytes (e.g., very-high–amplitude, small-width Gaussian distribution) to get an initial proper response. Permanent signaling is provided by chemotaxis and continuous recruitment of mastocytes. Therefore, the density and distribution of mastocytes are crucial factors for efficient acupuncture as well as availability of circulating and neighboring pools of mastocytes.

We present RECFMM, a program representation and implementation of a recursive scheme for parallelizing the adaptive fast multipole method (FMM) on shared-memory computers. It achieves remarkable high performance while maintaining mathematical clarity and flexibility. The parallelization scheme signifies the recursion feature that is intrinsic to the FMM but was not well exploited. The program modules of RECFMM constitute a map between numerical computation components and advanced architecture mechanisms. The mathematical structure is preserved and exploited, not obscured nor compromised, by parallel rendition of the recursion scheme. Modern software system—CILK in particular, which provides graph-theoretic optimal scheduling in adaptation to the dynamics in parallel execution—is employed. RECFMM supports multiple algorithm variants that mark the major advances with low-frequency interaction kernels, and includes the asymmetrical version where the source particle ensemble is not necessarily the same as the target particle ensemble. We demonstrate parallel performance with Coulomb and screened Coulomb interactions.

The extension of diamond scheme for diffusion equation to three dimensions is presented. The discrete normal flux is constructed by a linear combination of the directional flux along the line connecting cell-centers and the tangent flux along the cell-faces. In addition, it treats material discontinuities by a new iterative method. The stability and first-order convergence of the method is proved on distorted meshes. The numerical results illustrate that the method appears to be approximate second-order accuracy for solution.

Flow around a cavity is characterized by a self-sustained mechanism in which the shear layer impinges on the downstream edge of the cavity resulting in a feedback mechanism. Direct Numerical Simulations of the flow at low Reynolds number has been carried out to get pressure and velocity fluctuations, for the case of un-actuated and multi frequency actuation. A Reduced Order Model for the isentropic compressible equations based on the method of Proper Orthogonal Decomposition has been constructed. The model has been extended to include the effect of control. The Reduced Order dynamical system shows a divergence in time integration. A method of calibration based on the minimization of a linear functional of error, to the sensitivity of the modes, is proposed. The calibrated low order model is used to design a feedback control of cavity flows based on an observer design. For the experimental implementation of the controller, a state estimate based on the observed pressure measurements is obtained through a linear stochastic estimation. Finally the obtained control is introduced into the Direct Numerical Simulation to obtain a decrease in spectra of the cavity acoustic mode.

Gases in microfluidic structures or devices are often in a non-equilibrium state. The conventional thermodynamic models for fluids and heat transfer break down and the Navier-Stokes-Fourier equations are no longer accurate or valid. In this paper, the extended thermodynamic approach is employed to study the rarefied gas flow in microstructures, including the heat transfer between a parallel channel andpressure-driven Poiseuille flows through a parallel microchannel andcircular microtube. The gas flow characteristics are studied and it is shown that the heat transfer in the non-equilibrium state no longer obeys the Fourier gradient transport law. In addition, the bimodal distribution of streamwise and spanwise velocity and temperature through a long circular microtube is captured for the first time.

The solution of complex rarefied flows with the BGK equation and the Discrete Velocity Method (DVM) requires a large number of velocity grid points leading to significant computational costs. We propose an adaptive velocity grid approach exploiting the fact that locally in space, the distribution function is supported only by a sub-set of the global velocity grid. The velocity grid is adapted thanks to criteria based on local temperature, velocity and on the enforcement of mass conservation. Simulations in 1D and 2D are presented for different Knudsen numbers and compared to a global velocity grid BGK solution, showing the computational gain of the proposed approach.

The Shan-Chen multiphase lattice Boltzmann model (LBM) coupled with Carnahan-Starling real-gas equation of state (C-S EOS)was proposed to simulate three-dimensional (3D) cavitation bubbles. Firstly, phase separation processes were predicted and the inter-phase large density ratio over 2×104 was captured successfully. The liquid-vapor density ratio at lower temperature is larger. Secondly, bubble surface tensions were computed and decreased with temperature increasing. Thirdly, the evolution of creation and condensation of cavitation bubbles were obtained. The effectiveness and reliability of present method were verified by energy barrier theory. The influences of temperature, pressure difference and critical bubble radius on cavitation bubbles were analyzed systematically. Only when the bubble radius is larger than the critical value will the cavitation occur, otherwise, cavitation bubbles will dissipate due to condensation. According to the analyses of radius change against time and the variation ratio of bubble radius, critical radius is larger under lower temperature and smaller pressure difference condition, thus bigger seed bubbles are needed to invoke cavitation. Under higher temperature and larger pressure difference, smaller seed bubbles can invoke cavitation and the expanding velocity of cavitation bubbles are faster. The cavitation bubble evolution including formation, developing and collapse was captured successfully under various pressure conditions.

A new solver is developed to numerically simulate the melting phase change with natural convection. This solver was implemented on a single Nvidia GPU based on the CUDA technology in order to simulate the melting phase change in a 2D rectangular enclosure. The Rayleigh number is of the order of magnitude of 108 and Prandlt is 50. The hybrid thermal lattice Boltzmann method (HTLBM) is employed to simulate the natural convection in the liquid phase, and the enthalpy formulation is used to simulate the phase change aspect. The model is validated by experimental data and published analytic results. The simulation results manifest a strong convection in the melted phase and a different flow pattern from the reference results with low Rayleigh number. In addition, the computational performance is estimated for single precision arithmetic, and this solver yields 703.31MLUPS and 61.89GB/s device to device data throughput on a Nvidia Tesla C2050 GPU.

Multiscale modelling is a powerful technique, which allows for computational efficiency while retaining small-scale details when they are essential for understanding a finer behaviour of the studied system. In the case of materials modelling, one of the effective multiscaling concepts is domain partitioning, which implies the existence of an explicit interface between various material descriptions, for instance atomistic and continuum regions. When dynamic material behaviour is considered, the major problem for this technique is dealing with reflections of high frequency waves from the interface separating two scales. In this article, a new method is suggested, which overcomes this problem for the case of magnetisation dynamics. The introduction of a damping band at the interface between scales, which absorbs high frequency waves, is suggested. The idea is verified using a number of one-dimensional examples with fine/coarse scale discretisation of a continuum problem of spin wave propagation. This work is the first step towards establishing a reliable atomistic/continuum multiscale transition for the description of the evolution of magnetic properties of ferromagnets.

A new approach is presented for the boundary optimal control of the MHD equations in which the boundary control problem is transformed into an extended distributed control problem. This can be achieved by considering boundary controls in the form of lifting functions which extend from the boundary into the interior. The optimal solution is then sought by exploring all possible extended functions. This approach gives robustness to the boundary control algorithm which can be solved by standard distributed control techniques over the interior of the domain.

The gradient of the fluid stresses exerted on curved boundaries, conventionally computed in terms of directional derivatives of a tensor, is here analyzed by using the notion of intrinsic derivative which represents the geometrically appropriate tool for measuring tensor variations projected on curved surfaces. Relevant differences in the two approaches are found by using the classical Stokes analytical solution for the slow motion of a fluid over a fixed sphere and a numerically generated three dimensional dynamical scenario. Implications for theoretical fluid dynamics and for applied sciences are finally discussed.

We propose a new Absorbing Boundary Condition (ABC) for the acoustic wave equation which is derived from a micro-local diagonalization process formerly defined by M.E. Taylor and which does not depend on the geometry of the surface bearing the ABC. By considering the principal symbol of the wave equation both in the hyperbolic and the elliptic regions, we show that a second-order ABC can be constructed as the combination of an existing first-order ABC and a Fourier-Robin condition. We compare the new ABC with other ABCs and we show that it performs well in simple configurations and that it improves the accuracy of the numerical solution without increasing the computational burden.

Dynamics and instability of a vortex ring impinging on a wall were investigated by means of large eddy simulation for two vortex core thicknesses corresponding to thin and thick vortex rings. Various fundamental mechanisms dictating the flow behaviors, such as evolution of vortical structures, formation of vortices wrapping around vortex rings, instability and breakdown of vortex rings, and transition from laminar to turbulent state, have been studied systematically. The evolution of vortical structures is elucidated and the formation of the loop-like and hair-pin vortices wrapping around the vortex rings (called briefly wrapping vortices) is clarified. Analysis of the enstrophy of wrapping vortices and turbulent kinetic energy (TKE) in flow field indicates that the formation and evolution of wrapping vortices are closely associated with the flow transition to turbulent state. It is found that the temporal development of wrapping vortices and the growth rate of axial flow generated around the circumference of the core region for the thin ring are faster than those for the thick ring. The azimuthal instabilities of primary and secondary vortex rings are analyzed and the development of modal energies is investigated to reveal the flow transition to turbulent state. The modal energy decay follows a characteristic –5/3 power law, indicating that the vortical flow has become turbulence. Moreover, it is identified that the TKE with a major contribution of the azimuthal component is mainly distributed in the core region of vortex rings. The results obtained in this study provide physical insight of the mechanisms relevant to the vortical flow evolution from laminar to turbulent state.

In this paper we consider PDE-constrained optimization problems which incorporate an H1 regularization control term. We focus on a time-dependent PDE, and consider both distributed and boundary control. The problems we consider include bound constraints on the state, and we use a Moreau-Yosida penalty function to handle this. We propose Krylov solvers and Schur complement preconditioning strategies for the different problems and illustrate their performance with numerical examples.