Spectral Numerical Exterior Calculus Methods for Differential Equations on Radial Manifolds

We develop exterior calculus approaches for partial differential equations on radial manifolds. We introduce numerical methods that approximate with spectral accuracy the exterior derivative $\mathbf{d}$, Hodge star $\star$, and their compositions. To achieve discretizations with high precision and symmetry, we develop hyperinterpolation methods based on spherical harmonics and Lebedev quadrature. We perform convergence studies of our numerical exterior derivative operator $\overline{\mathbf{d}}$ and Hodge star operator $\overline{\star}$ showing each converge spectrally to $\mathbf{d}$ and $\star$. We show how the numerical operators can be naturally composed to formulate general numerical approximations for solving differential equations on manifolds. We present results for the Laplace-Beltrami equations demonstrating our approach.Comment: 22 pages, 13 figure

The diffuse Nitsche method: Dirichlet constraints on phase-field boundaries

We explore diffuse formulations of Nitsche's method for consistently imposing Dirichlet boundary conditions on phase-field approximations of sharp domains. Leveraging the properties of the phase-field gradient, we derive the variational formulation of the diffuse Nitsche method by transferring all integrals associated with the Dirichlet boundary from a geometrically sharp surface format in the standard Nitsche method to a geometrically diffuse volumetric format. We also derive conditions for the stability of the discrete system and formulate a diffuse local eigenvalue problem, from which the stabilization parameter can be estimated automatically in each element. We advertise metastable phase-field solutions of the Allen-Cahn problem for transferring complex imaging data into diffuse geometric models. In particular, we discuss the use of mixed meshes, that is, an adaptively refined mesh for the phase-field in the diffuse boundary region and a uniform mesh for the representation of the physics-based solution fields. We illustrate accuracy and convergence properties of the diffuse Nitsche method and demonstrate its advantages over diffuse penalty-type methods. In the context of imaging based analysis, we show that the diffuse Nitsche method achieves the same accuracy as the standard Nitsche method with sharp surfaces, if the inherent length scales, i.e., the interface width of the phase-field, the voxel spacing and the mesh size, are properly related. We demonstrate the flexibility of the new method by analyzing stresses in a human vertebral body

Phase-field boundary conditions for the voxel finite cell method: surface-free stress analysis of CT-based bone structures

The voxel finite cell method employs unfitted finite element meshes and voxel quadrature rules to seamlessly transfer CT data into patient-specific bone discretizations. The method, however, still requires the explicit parametrization of boundary surfaces to impose traction and displacement boundary conditions, which constitutes a potential roadblock to automation. We explore a phase-field based formulation for imposing traction and displacement constraints in a diffuse sense. Its essential component is a diffuse geometry model generated from metastable phase-field solutions of the Allen-Cahn problem that assumes the imaging data as initial condition. Phase-field approximations of the boundary and its gradient are then employed to transfer all boundary terms in the variational formulation into volumetric terms. We show that in the context of the voxel finite cell method, diffuse boundary conditions achieve the same accuracy as boundary conditions defined over explicit sharp surfaces, if the inherent length scales, i.e., the interface width of the phase-field, the voxel spacing and the mesh size, are properly related. We demonstrate the flexibility of the new method by analyzing stresses in a human femur and a vertebral body

Numerical wave propagation for the triangular P1DGP1_{DG}-P2P2 finite element pair

Inertia-gravity mode and Rossby mode dispersion properties are examined for discretisations of the linearized rotating shallow-water equations using the $P1_{DG}$-$P2$ finite element pair on arbitrary triangulations in planar geometry. A discrete Helmholtz decomposition of the functions in the velocity space based on potentials taken from the pressure space is used to provide a complete description of the numerical wave propagation for the discretised equations. In the $f$-plane case, this decomposition is used to obtain decoupled equations for the geostrophic modes, the inertia-gravity modes, and the inertial oscillations. As has been noticed previously, the geostrophic modes are steady. The Helmholtz decomposition is used to show that the resulting inertia-gravity wave equation is third-order accurate in space. In general the \pdgp finite element pair is second-order accurate, so this leads to very accurate wave propagation. It is further shown that the only spurious modes supported by this discretisation are spurious inertial oscillations which have frequency $f$, and which do not propagate. The Helmholtz decomposition also allows a simple derivation of the quasi-geostrophic limit of the discretised $P1_{DG}$-$P2$ equations in the $\beta$-plane case, resulting in a Rossby wave equation which is also third-order accurate.Comment: Revised version prior to final journal submissio

Solving eigenvalue problems on curved surfaces using the Closest Point Method

Eigenvalue problems are fundamental to mathematics and science. We present a simple algorithm for determining eigenvalues and eigenfunctions of the Laplace--Beltrami operator on rather general curved surfaces. Our algorithm, which is based on the Closest Point Method, relies on an embedding of the surface in a higher-dimensional space, where standard Cartesian finite difference and interpolation schemes can be easily applied. We show that there is a one-to-one correspondence between a problem defined in the embedding space and the original surface problem. For open surfaces, we present a simple way to impose Dirichlet and Neumann boundary conditions while maintaining second-order accuracy. Convergence studies and a series of examples demonstrate the effectiveness and generality of our approach

Currents and finite elements as tools for shape space

The nonlinear spaces of shapes (unparameterized immersed curves or submanifolds) are of interest for many applications in image analysis, such as the identification of shapes that are similar modulo the action of some group. In this paper we study a general representation of shapes that is based on linear spaces and is suitable for numerical discretization, being robust to noise. We develop the theory of currents for shape spaces by considering both the analytic and numerical aspects of the problem. In particular, we study the analytical properties of the current map and the $H^{-s}$ norm that it induces on shapes. We determine the conditions under which the current determines the shape. We then provide a finite element discretization of the currents that is a practical computational tool for shapes. Finally, we demonstrate this approach on a variety of examples

Finite-Difference Time-Domain Study of Guided Modes in Nano-plasmonic Waveguides

A conformal dispersive finite-difference time-domain (FDTD) method is developed for the study of one-dimensional (1-D) plasmonic waveguides formed by an array of periodic infinite-long silver cylinders at optical frequencies. The curved surfaces of circular and elliptical inclusions are modelled in orthogonal FDTD grid using effective permittivities (EPs) and the material frequency dispersion is taken into account using an auxiliary differential equation (ADE) method. The proposed FDTD method does not introduce numerical instability but it requires a fourth-order discretisation procedure. To the authors' knowledge, it is the first time that the modelling of curved structures using a conformal scheme is combined with the dispersive FDTD method. The dispersion diagrams obtained using EPs and staircase approximations are compared with those from the frequency domain embedding method. It is shown that the dispersion diagram can be modified by adding additional elements or changing geometry of inclusions. Numerical simulations of plasmonic waveguides formed by seven elements show that row(s) of silver nanoscale cylinders can guide the propagation of light due to the coupling of surface plasmons.Comment: 6 pages, 10 figures, accepted for publication, IEEE Trans. Antennas Propaga

Spacelike distance from discrete causal order

Any discrete approach to quantum gravity must provide some prescription as to how to deduce continuum properties from the discrete substructure. In the causal set approach it is straightforward to deduce timelike distances, but surprisingly difficult to extract spacelike distances, because of the unique combination of discreteness with local Lorentz invariance in that approach. We propose a number of methods to overcome this difficulty, one of which reproduces the spatial distance between two points in a finite region of Minkowski space. We provide numerical evidence that this definition can be used to define a `spatial nearest neighbor' relation on a causal set, and conjecture that this can be exploited to define the length of `continuous curves' in causal sets which are approximated by curved spacetime. This provides evidence in support of the ``Hauptvermutung'' of causal sets.Comment: 32 pages, 16 figures, revtex4; journal versio

Core reconstruction in pseudopotential calculations

A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield [J.Phys. C {\bf 14}, 3795 (1981)]. In this method the core region is \emph{reconstructed}, and none of the simplifying approximations (such as spherical symmetry of the charge density/potential or frozen core electrons) that previous solutions to this problem have required are made. The embedding method requires an accurate real space Green function, and an analysis of the errors introduced in constructing this from a set of numerical eigenstates is given. Results are presented for an all-electron reconstruction of bulk aluminium, for both the charge density and the density of states.Comment: 14 pages, 5 figure