Arbitrary-Lagrangian-Eulerian discontinuous Galerkin schemes with a posteriori subcell finite volume limiting on moving unstructured meshes

We present a new family of high order accurate fully discrete one-step Discontinuous Galerkin (DG) finite element schemes on moving unstructured meshes for the solution of nonlinear hyperbolic PDE in multiple space dimensions, which may also include parabolic terms in order to model dissipative transport processes. High order piecewise polynomials are adopted to represent the discrete solution at each time level and within each spatial control volume of the computational grid, while high order of accuracy in time is achieved by the ADER approach. In our algorithm the spatial mesh configuration can be defined in two different ways: either by an isoparametric approach that generates curved control volumes, or by a piecewise linear decomposition of each spatial control volume into simplex sub-elements. Our numerical method belongs to the category of direct Arbitrary-Lagrangian-Eulerian (ALE) schemes, where a space-time conservation formulation of the governing PDE system is considered and which already takes into account the new grid geometry directly during the computation of the numerical fluxes. Our new Lagrangian-type DG scheme adopts the novel a posteriori sub-cell finite volume limiter method, in which the validity of the candidate solution produced in each cell by an unlimited ADER-DG scheme is verified against a set of physical and numerical detection criteria. Those cells which do not satisfy all of the above criteria are flagged as troubled cells and are recomputed with a second order TVD finite volume scheme. The numerical convergence rates of the new ALE ADER-DG schemes are studied up to fourth order in space and time and several test problems are simulated. Finally, an application inspired by Inertial Confinement Fusion (ICF) type flows is considered by solving the Euler equations and the PDE of viscous and resistive magnetohydrodynamics (VRMHD).Comment: 39 pages, 21 figure

Inequalities for Moment Cones of Finite-Dimensional Representations

We give a general description of the moment cone associated with an arbitrary finite-dimensional unitary representation of a compact, connected Lie group in terms of finitely many linear inequalities. Our method is based on combining differential-geometric arguments with a variant of Ressayre's notion of a dominant pair. As applications, we obtain generalizations of Horn's inequalities to arbitrary representations, new inequalities for the one-body quantum marginal problem in physics, which concerns the asymptotic support of the Kronecker coefficients of the symmetric group, and a geometric interpretation of the Howe-Lee-Tan-Willenbring invariants for the tensor product algebra.Comment: 42 pages, to appear in Journal of Symplectic Geometr

Arbitrary-Lagrangian-Eulerian One-Step WENO Finite Volume Schemes on Unstructured Triangular Meshes

In this article we present a new class of high order accurate Arbitrary-Eulerian-Lagrangian (ALE) one-step WENO finite volume schemes for solving nonlinear hyperbolic systems of conservation laws on moving two dimensional unstructured triangular meshes. A WENO reconstruction algorithm is used to achieve high order accuracy in space and a high order one-step time discretization is achieved by using the local space-time Galerkin predictor. For that purpose, a new element--local weak formulation of the governing PDE is adopted on moving space--time elements. The space-time basis and test functions are obtained considering Lagrange interpolation polynomials passing through a predefined set of nodes. Moreover, a polynomial mapping defined by the same local space-time basis functions as the weak solution of the PDE is used to map the moving physical space-time element onto a space-time reference element. To maintain algorithmic simplicity, the final ALE one-step finite volume scheme uses moving triangular meshes with straight edges. This is possible in the ALE framework, which allows a local mesh velocity that is different from the local fluid velocity. We present numerical convergence rates for the schemes presented in this paper up to sixth order of accuracy in space and time and show some classical numerical test problems for the two-dimensional Euler equations of compressible gas dynamics.Comment: Accepted by "Communications in Computational Physics

Dynamic theory of the nuclear collective model

The rotation-vibration model and the hydrodynamic dipole-oscillation model are unified. A coupling between the dipole oscillations and the quadrupole vibrations is introduced in the adiabatic approximation. The dipole oscillations act as a "driving force" for the quadrupole vibrations and stabilize the intrinsic nucleus in a nonaxially symmetric equilibrium shape. The higher dipole resonance splits into two peaks separated by about 1.5-2 MeV. On top of the several giant resonances occur bands due to rotations and vibrations of the intrinsic nucleus. The dipole operator is established in terms of the collective coordinates and the γ-absorption cross section is derived. For the most important 1- levels the relative dipole excitation is estimated. It is found that some of the dipole strength of the higher giant resonance states is shared with those states in which one surface vibration quantum is excited in addition to the giant resonance

Charge transfer excitations with range separated functionals using improved virtual orbitals

We present an implementation of range separated functionals utilizing the Slater-function on grids in real space in the projector augmented waves method. The screened Poisson equation is solved to evaluate the necessary screened exchange integrals on Cartesian grids. The implementation is verified against existing literature and applied to the description of charge transfer excitations. We find very slow convergence for calculations within linear response time-dependent density functional theory and unoccupied orbitals of the canonical Fock operator. Convergence can be severely improved by using Huzinaga's virtual orbitals instead. This combination furthermore enables an accurate determination of long-range charge transfer excitations by means of ground-state calculations.Comment: 11 pages + 9 pages supporting information, 5 figures in main text, 3 figures in supporting informatio

High-Order Unstructured Lagrangian One-Step WENO Finite Volume Schemes for Non-Conservative Hyperbolic Systems: Applications to Compressible Multi-Phase Flows

In this article we present the first better than second order accurate unstructured Lagrangian-type one-step WENO finite volume scheme for the solution of hyperbolic partial differential equations with non-conservative products. The method achieves high order of accuracy in space together with essentially non-oscillatory behavior using a nonlinear WENO reconstruction operator on unstructured triangular meshes. High order accuracy in time is obtained via a local Lagrangian space-time Galerkin predictor method that evolves the spatial reconstruction polynomials in time within each element. The final one-step finite volume scheme is derived by integration over a moving space-time control volume, where the non-conservative products are treated by a path-conservative approach that defines the jump terms on the element boundaries. The entire method is formulated as an Arbitrary-Lagrangian-Eulerian (ALE) method, where the mesh velocity can be chosen independently of the fluid velocity. The new scheme is applied to the full seven-equation Baer-Nunziato model of compressible multi-phase flows in two space dimensions. The use of a Lagrangian approach allows an excellent resolution of the solid contact and the resolution of jumps in the volume fraction. The high order of accuracy of the scheme in space and time is confirmed via a numerical convergence study. Finally, the proposed method is also applied to a reduced version of the compressible Baer-Nunziato model for the simulation of free surface water waves in moving domains. In particular, the phenomenon of sloshing is studied in a moving water tank and comparisons with experimental data are provided

Shell-model treatment of nuclear reactions

A method is developed for the calculation of resonant nuclear states which preserves as many features of the shell model as possible. It is an extension of the R-matrix theory. The necessary formulas are derived and a detailed description of the computational procedure is given. The method is valid up to the two-particle emission threshold. With the assumption of consecutive decay of the nucleus, the two-particle emission process can also be described. The treatment is antisymmetrized in all particles

Damping of the giant resonance in heavy nuclei

In heavy nuclei the damping of the giant resonance is due to thermalization of the energy rather than to direct emission of particles; the latter process is strongly inhibited by the angular-momentum barrier. The thermalization proceeds via inelastic collisions leading from the particle-hole state to two-particle-two-hole states. In heavy nuclei, several hundred such states are available at the energy of the giant dipole resonance. The rather large width of the giant resonance arises from the addition of many small partial widths of channels leading to the different two-particle-two-hole states. Both the density of the two-particle-two-hole states and the mean value of the interaction matrix elements between the particle-hole and two-particle-two-hole states are evaluated in a simplified square-well shell model. In a given nucleus the energy dependence of the widths is determined mainly by the density of states; the A dependence is determined mainly by the size of the matrix elements. For A ~ 200, we find 0.5 <= Γ <=2.5 MeV. The uncertainty in this value comes mostly from the uncertainty in the strength of the interaction. Representing the energy dependence of the width by a power law we find for the exponent the value ~ 1.8