The paper addresses the construction of a non spurious mixed spectral finite element (FE) method to problems in the field of computational aeroacoustics. Based on a computational scheme for the conservation equations of linear acoustics, the extension towards convected wave propagation is investigated. In aeroacoustic applications, the mean flow effects can have a significant impact on the generated sound field even for smaller Mach numbers. For those convective terms, the initial spectral FE discretization leads to non-physical, spurious solutions. Therefore, a regularization procedure is proposed and qualitatively investigated by means of discrete eigenvalues analysis of the discrete operator in space. A study of convergence and an application of the proposed scheme to simulate the flow induced sound generation in the process of human phonation underlines stability and validity.

In this work, two approaches, based on the certified Reduced Basis method, have been developed for simulating the movement of nuclear reactor control rods, in time-dependent non-coercive settings featuring a 3D geometrical framework. In particular, in a first approach, a piece-wise affine transformation based on subdomains division has been implemented for modelling the movement of one control rod. In the second approach, a "staircase" strategy has been adopted for simulating the movement of all the three rods featured by the nuclear reactor chosen as case study. The neutron kinetics has been modelled according to the so-called multi-group neutron diffusion, which, in the present case, is a set of ten coupled parametrized parabolic equations (two energy groups for the neutron flux, and eight for the precursors). Both the reduced order models, developed according to the two approaches, provided a very good accuracy compared with high-fidelity results, assumed as "truth" solutions. At the same time, the computational speed-up in the Online phase, with respect to the fine "truth" finite element discretization, achievable by both the proposed approaches is at least of three orders of magnitude, allowing a real-time simulation of the rod movement and control.

In this paper, we present a discretization of the time-dependent Schrödinger equation based on a Magnus-Lanczos time integrator and high-order Gauss-Lobatto finite elements in space. A truncated Galerkin orthogonality is used to obtain duality-based a posteriori error estimates that address the temporal and the spatial error separately. Based on this theory, a space-time adaptive solver for the Schrödinger equation is devised. An efficient matrix-free implementation of the differential operator, suited for spectral elements, is used to enable computations for realistic configurations. We demonstrate the performance of the algorithm for the example of matter-field interaction.

We present an efficient and robust method for stress wave propagation problems (second order hyperbolic systems) having discontinuities directly in their second order form. Due to the numerical dispersion around discontinuities and lack of the inherent dissipation in hyperbolic systems, proper simulation of such problems are challenging. The proposed idea is to denoise spurious oscillations by a post-processing stage from solutions obtained from higher-order grid-based methods (e.g., high-order collocation or finite-difference schemes). The denoising is done so that the solutions remain higher-order (here, second order) around discontinuities and are still free from spurious oscillations. For this purpose, improved Tikhonov regularization approach is advised. This means to let data themselves select proper denoised solutions (since there is no pre-assumptions about regularized results). The improved approach can directly be done on uniform or non-uniform sampled data in a way that the regularized results maintenance continuous derivatives up to some desired order. It is shown how to improve the smoothing method so that it remains conservative and has local estimating feature. To confirm effectiveness of the proposed approach, finally, some one and two dimensional examples will be provided. It will be shown how both the numerical (artificial) dispersion and dissipation can be controlled around discontinuous solutions and stochastic-like results.

ArbiTER (Arbitrary Topology Equation Reader) is a new code for solving linear eigenvalue problems arising from a broad range of physics and geometry models. The primary application area envisioned is boundary plasma physics in magnetic confinement devices; however, ArbiTER should be applicable to other science and engineering fields as well. The code permits a variable numbers of dimensions, making possible application to both fluid and kinetic models. The use of specialized equation and topology parsers permits a high degree of flexibility in specifying the physics and geometry.

A robust immersed boundary-lattice Boltzmann method (IB-LBM) is proposed to simulate fluid-structure interaction (FSI) problems in this work. Compared with the conventional IB-LBM, the current method employs the fractional step technique to solve the lattice Boltzmann equation (LBE) with a forcing term. Consequently, the non-physical oscillation of body force calculation, which is frequently encountered in the traditional IB-LBM, is suppressed greatly. It is of importance for the simulation of FSI problems. In the meanwhile, the no-slip boundary condition is strictly satisfied by using the velocity correction scheme. Moreover, based on the relationship between the velocity correction and forcing term, the boundary force can be calculated accurately and easily. A few test cases are first performed to validate the current method. Subsequently, a series of FSI problems, including the vortex-induced vibration of a circular cylinder, an elastic filament flapping in the wake of a fixed cylinder and sedimentation of particles, are simulated. Based on the good agreement between the current results and those in the literature, it is demonstrated that the proposed IB-LBM has the capability to handle various FSI problems effectively.

We analytically and numerically compute the Onsager dissociation rate (exciton dissociation) on an interface induced by a piezoelectric potential in an inorganic-organic hybrid p-n junction system (ZnO + (poly(p-phenylene vinylene)); PPV). When a positive piezoelectric potential is created at the interface region owing to the deformation of the system, free electrons accumulate at the interface. Hence, screening effects are observed. It is assumed that the electron layer formed at the interface then attracts free holes from the p-type PPV region, which leads to exciton formation, possibly via the Langevin recombination process. The increased exciton density can then contribute to the Onsager dissociation rate, which is maximum around the interface. This paper focuses on the role of piezoelectric effects in promoting exciton formation at the interface and its relation with the exciton dissociation rate.

We propose an all regime Lagrange-Projection like numerical scheme for the gas dynamics equations. By all regime, we mean that the numerical scheme is able to compute accurate approximate solutions with an under-resolved discretization with respect to the Mach number M, i.e. such that the ratio between the Mach number M and the mesh size or the time step is small with respect to 1. The key idea is to decouple acoustic and transport phenomenon and then alter the numerical flux in the acoustic approximation to obtain a uniform truncation error in term of M. This modified scheme is conservative and endowed with good stability properties with respect to the positivity of the density and the internal energy. A discrete entropy inequality under a condition on the modification is obtained thanks to a reinterpretation of the modified scheme in the Harten Lax and van Leer formalism. A natural extension to multi-dimensional problems discretized over unstructured mesh is proposed. Then a simple and efficient semi-implicit scheme is also proposed. The resulting scheme is stable under a CFL condition driven by the (slow) material waves and not by the (fast) acoustic waves and so verifies the all regime property. Numerical evidences are proposed and show the ability of the scheme to deal with tests where the flow regime may vary from low to high Mach values.

Here we investigate the kinematic transports of the defects in the nematic liquid crystal system by numerical experiments. The model is a shear flow case of the viscoelastic continuum model simplified from the Ericksen-Leslie system. The numerical experiments are carried out by using a difference method. Based on these numerical experiments we find some interesting and important relationships between the kinematic transports and the characteristics of the flow. We present the development and interaction of the defects. These results are partly consistent with the observation from the experiments. Thus this scheme illustrates, to some extent, the kinematic effects of the defects.

We construct and analyze conservative local discontinuous Galerkin (LDG) methods for the Generalized Korteweg-de-Vries equation. LDG methods are designed by writing the equation as a system and performing separate approximations to the spatial derivatives. The main focus is on the development of conservative methods which can preserve discrete versions of the first two invariants of the continuous solution, and a posteriori error estimates for a fully discrete approximation that is based on the idea of dispersive reconstruction. Numerical experiments are provided to verify the theoretical estimates.