In this paper we generalize a new type of compact Hermite weighted essentially non-oscillatory (HWENO) limiter for the Runge-Kutta discontinuous Galerkin (RKDG) method, which was recently developed in [38] for structured meshes, to two dimensional unstructured meshes. The main idea of this HWENO limiter is to reconstruct the new polynomial by the usage of the entire polynomials of the DG solution from the target cell and its neighboring cells in a least squares fashion [11] while maintaining the conservative property, then use the classical WENO methodology to form a convex combination of these reconstructed polynomials based on the smoothness indicators and associated nonlinear weights. The main advantage of this new HWENO limiter is the robustness for very strong shocks and simplicity in implementation especially for the unstructured meshes considered in this paper, since only information from the target cell and its immediate neighbors is needed. Numerical results for both scalar and system equations are provided to test and verify the good performance of this new limiter.

In this paper we present a 2D/3D high order accurate finite volume scheme in the context of direct Arbitrary-Lagrangian-Eulerian algorithms for general hyperbolic systems of partial differential equations with non-conservative products and stiff source terms. This scheme is constructed with a single stencil polynomial reconstruction operator, a one-step space-time ADER integration which is suitably designed for dealing even with stiff sources, a nodal solver with relaxation to determine the mesh motion, a path-conservative integration technique for the treatment of non-conservative products and an a posteriori stabilization procedure derived from the so-called Multidimensional Optimal Order Detection (MOOD) paradigm. In this work we consider the seven equation Baer-Nunziato model of compressible multi-phase flows as a representative model involving non-conservative products as well as relaxation source terms which are allowed to become stiff. The new scheme is validated against a set of test cases on 2D/3D unstructured moving meshes on parallel machines and the high order of accuracy achieved by the method is demonstrated by performing a numerical convergence study. Classical Riemann problems and explosion problems with exact solutions are simulated in 2D and 3D. The overall numerical code is also profiled to provide an estimate of the computational cost required by each component of the whole algorithm.

In this paper, a conservative parallel iteration scheme is constructed to solve nonlinear diffusion equations on unstructured polygonal meshes. The design is based on two main ingredients: the first is that the parallelized domain decomposition is embedded into the nonlinear iteration; the second is that prediction and correction steps are applied at subdomain interfaces in the parallelized domain decomposition method. A new prediction approach is proposed to obtain an efficient conservative parallel finite volume scheme. The numerical experiments show that our parallel scheme is second-order accurate, unconditionally stable, conservative and has linear parallel speed-up.

In this paper, we extend using the Runge-Kutta discontinuous Galerkin method together with the front tracking method to simulate the compressible two-medium flow on unstructured meshes. A Riemann problem is constructed in the normal direction in the material interfacial region, with the goal of obtaining a compact, robust and efficient procedure to track the explicit sharp interface precisely. Extensive numerical tests including the gas-gas and gas-liquid flows are provided to show the proposed methodologies possess the capability of enhancing the resolutions nearby the discontinuities inside of the single medium flow and the interfacial vicinities of the two-medium flow in many occasions.

Numerical oscillation of the total energy can be observed when the Kohn- Sham equation is solved by real-space methods to simulate the translational move of an electronic system. Effectively remove or reduce the unphysical oscillation is crucial not only for the optimization of the geometry of the electronic structure, but also for the study of molecular dynamics. In this paper, we study such unphysical oscillation based on the numerical framework in [G. Bao, G. H. Hu, and D. Liu, An h-adaptive finite element solver for the calculations of the electronic structures, Journal of Computational Physics, Volume 231, Issue 14, Pages 4967–4979, 2012], and deliver some numerical methods to constrain such unphysical effect for both pseudopotential and all-electron calculations, including a stabilized cubature strategy for Hamiltonian operator, and an a posteriori error estimator of the finite element methods for Kohn-Sham equation. The numerical results demonstrate the effectiveness of our method on restraining unphysical oscillation of the total energies.

In the present contribution we evaluate the heat flux prediction capabilities of second-order accurate Residual Distribution (RD) methods in the context of atmospheric (re-)entry problems around blunt bodies. Our departing point is the computation of subsonic air flows (with air modeled either as an inert ideal gas or as chemically reacting and possibly out of thermal equilibrium gas mixture) around probe-like geometries, as those typically employed into high enthalpy wind tunnels. We confirm the agreement between the solutions obtained with the RD method and the solutions computed with other Finite Volume (FV) based codes.

However, a straightforward application of the same numerical technique to hypersonic cases involving strong shocks exhibits severe deficiencies even on a geometry as simple as a 2D cylinder. In an attempt to mitigate this problem, we derive new variants of RD schemes. A comparison of these alternative strategies against established ones allows us to derive a diagnose for the shortcomings observed in the traditional RD schemes.

In this article we detail the methodology developed to construct an efficient interface description technique — the robust conservative level set (RCLS) — to simulate multiphase flows on mixed-element unstructured meshes while conserving mass to machine accuracy. The approach is tailored specifically for industry as the three-dimensional unstructured approach allows for the treatment of very complex geometries. In addition, special care has been taken to optimise the trade-off between accuracy and computational cost while maintaining the robustness of the numerical method. This was achieved by solving the transport equations for the liquid volume fraction using a WENO scheme for polyhedral meshes and by adding a flux-limiter algorithm. The performance of the resulting method has been compared against established multiphase numerical methods and its ability to capture the physics of multiphase flows is demonstrated on a range of relevant test cases. Finally, the RCLS method has been applied to the simulation of the primary breakup of a flat liquid sheet of kerosene in co-flowing high-pressure gas. This quasi-DNS/LES computation was performed at relevant aero-engine conditions on a three-dimensional mixed-element unstructured mesh. The numerical results have been validated qualitatively against theoretical predictions and experimental data. In particular, the expected breakup regime was observed in the simulation results. Finally, the computation reproduced faithfully the breakup length predicted by a correlation based on experimental data. This constitutes a first step towards a quantitative validation.

A multi-dimensionally upwind conservative Residual Distribution algorithm for simulating viscous axisymmetric hypersonic flows in thermo-chemical nonequilibrium on unstructured grids is presented and validated in the case of the complex flow-field over a double cone configuration. The resulting numerical discretization combines a state-of-the-art nonlinear quasi-monotone second order blended scheme for distributing the convective residual and a standard Galerkin formulation for the diffusive residual. The physical source terms are upwinded together with the convective fluxes. Numerical results show an excellent agreement with experimental measurements and available literature.

An unstructured nodal spectral-element method for the Navier-Stokes equations is developed in this paper. The method is based on a triangular and tetrahedral rational approximation and an easy-to-implement nodal basis which fully enjoys the tensorial product property. It allows arbitrary triangular and tetrahedral mesh, affording greater flexibility in handling complex domains while maintaining all essential features of the usual spectral-element method. The details of the implementation and some numerical examples are provided to validate the efficiency and flexibility of the proposed method.

In this article, we detail the methodology developed to construct arbitrarily high order schemes — linear and WENO — on 3D mixed-element unstructured meshes made up of general convex polyhedral elements. The approach is tailored specifically for the solution of scalar level set equations for application to incompressible two-phase flow problems. The construction of WENO schemes on 3D unstructured meshes is notoriously difficult, as it involves a much higher level of complexity than 2D approaches. This due to the multiplicity of geometrical considerations introduced by the extra dimension, especially on mixed-element meshes. Therefore, we have specifically developed a number of algorithms to handle mixed-element meshes composed of convex polyhedra with convex polygonal faces. The contribution of this work concerns several areas of interest: the formulation of an improved methodology in 3D, the minimisation of computational runtime in the implementation through the maximum use of pre-processing operations, the generation of novel methods to handle complex 3D mixed-element meshes and finally the application of the method to the transport of a scalar level set.

For flows with strong periodic content, time-spectral methods can be used to obtaintime-accurate solutions at substantially reduced cost compared to traditionaltime-implicit methods which operate directly in the time domain. However, these methodsare only applicable in the presence of fully periodic flows, which represents a severerestriction for many aerospace engineering problems. This paper presents an extension ofthe time-spectral approach for problems that include a slow transient in addition tostrong periodic behavior, suitable for applications such as transient turbofan simulationor maneuvering rotorcraft calculations. The formulation is based on a collocation methodwhich makes use of a combination of spectral and polynomial basis functions and results inthe requirement of solving coupled time instances within a period, similar to the timespectral approach, although multiple successive periods must be solved to capture thetransient behavior.

The implementation allows for two levels of parallelism, one in the spatial dimension,and another in the time-spectral dimension, and is implemented in a modular fashion whichminimizes the modifications required to an existing steady-state solver. For dynamicallydeforming mesh cases, a formulation which preserves discrete conservation as determined bythe Geometric Conservation Law is derived and implemented. A fully implicit approach whichtakes into account the coupling between the various time instances is implemented andshown to preserve the baseline steady-state multigrid convergence rate as the number oftime instances is increased. Accuracy and efficiency are demonstrated for periodic andnon-periodic problems by comparing the performance of the method with a traditionaltime-stepping approach using a simple two-dimensional pitching airfoil problem, athree-dimensional pitching wing problem, and a more realistic transitioning rotor problem.