Scattered Data Interpolation on Embedded Submanifolds with Restricted Positive Definite Kernels: Sobolev Error Estimates

In this paper we investigate the approximation properties of kernel interpolants on manifolds. The kernels we consider will be obtained by the restriction of positive definite kernels on $\R^d$, such as radial basis functions (RBFs), to a smooth, compact embedded submanifold \M\subset \R^d. For restricted kernels having finite smoothness, we provide a complete characterization of the native space on \M. After this and some preliminary setup, we present Sobolev-type error estimates for the interpolation problem. Numerical results verifying the theory are also presented for a one-dimensional curve embedded in $\R^3$ and a two-dimensional torus

Large scale ab-initio simulations of dislocations

We present a novel methodology to compute relaxed dislocations core configurations, and their energies in crystalline metallic materials using large-scale ab-intio simulations. The approach is based on MacroDFT, a coarse-grained density functional theory method that accurately computes the electronic structure with sub-linear scaling resulting in a tremendous reduction in cost. Due to its implementation in real-space, MacroDFT has the ability to harness petascale resources to study materials and alloys through accurate ab-initio calculations. Thus, the proposed methodology can be used to investigate dislocation cores and other defects where long range elastic effects play an important role, such as in dislocation cores, grain boundaries and near precipitates in crystalline materials. We demonstrate the method by computing the relaxed dislocation cores in prismatic dislocation loops and dislocation segments in magnesium (Mg). We also study the interaction energy with a line of Aluminum (Al) solutes. Our simulations elucidate the essential coupling between the quantum mechanical aspects of the dislocation core and the long range elastic fields that they generate. In particular, our quantum mechanical simulations are able to describe the logarithmic divergence of the energy in the far field as is known from classical elastic theory. In order to reach such scaling, the number of atoms in the simulation cell has to be exceedingly large, and cannot be achieved with the state-of-the-art density functional theory implementations

Construction of C\u3csup\u3e∞\u3c/sup\u3e Surfaces From Triangular Meshes Using Parametric Pseudo-Manifolds

We present a new constructive solution for the problem of fitting a smooth surface to a given triangle mesh. Our construction is based on the manifold-based approach pioneered by Grimm and Hughes. The key idea behind this approach is to define a surface by overlapping surface patches via a gluing process, as opposed to stitching them together along their common boundary curves. The manifold based approach has proved to be well-suited to fit with relative ease, Ck-continuous parametric surfaces to triangle and quadrilateral meshes, for any arbitrary finite k or even k = ∞. Smooth surfaces generated by the manifold-based approach share some of the most important properties of splines surfaces, such as local shape control and fixed-sized local support for basis functions. In addition, the differential structure of a manifold provides us with a natural setting for solving equations on the surface boundary of 3D shapes. Our new manifold-based solution possesses most of the best features of previous constructions. In particular, our construction is simple, compact, powerful, and flexible in ways of defining the geometry of the resulting surface. Unlike some of the most recent manifold-based solutions, ours has been devised to work with triangle meshes. These meshes are far more popular than any other kind of mesh encountered in computer graphics and geometry processing applications. We also provide a mathematically sound theoretical framework to undergird our solution. This theoretical framework slightly improves upon the one given by Grimm and Hughes, which was used by most manifold-based constructions introduced before

3D mesh metamorphosis from spherical parameterization for conceptual design

Engineering product design is an information intensive decision-making process that consists of several phases including design specification definition, design concepts generation, detailed design and analysis, and manufacturing. Usually, generating geometry models for visualization is a big challenge for early stage conceptual design. Complexity of existing computer aided design packages constrains participation of people with various backgrounds in the design process. In addition, many design processes do not take advantage of the rich amount of legacy information available for new concepts creation. The research presented here explores the use of advanced graphical techniques to quickly and efficiently merge legacy information with new design concepts to rapidly create new conceptual product designs. 3D mesh metamorphosis framework 3DMeshMorpher was created to construct new models by navigating in a shape-space of registered design models. The framework is composed of: i) a fast spherical parameterization method to map a geometric model (genus-0) onto a unit sphere; ii) a geometric feature identification and picking technique based on 3D skeleton extraction; and iii) a LOD controllable 3D remeshing scheme with spherical mesh subdivision based on the developedspherical parameterization. This efficient software framework enables designers to create numerous geometric concepts in real time with a simple graphical user interface. The spherical parameterization method is focused on closed genus-zero meshes. It is based upon barycentric coordinates with convex boundary. Unlike most existing similar approaches which deal with each vertex in the mesh equally, the method developed in this research focuses primarily on resolving overlapping areas, which helps speed the parameterization process. The algorithm starts by normalizing the source mesh onto a unit sphere and followed by some initial relaxation via Gauss-Seidel iterations. Due to its emphasis on solving only challenging overlapping regions, this parameterization process is much faster than existing spherical mapping methods. To ensure the correspondence of features from different models, we introduce a skeleton based feature identification and picking method for features alignment. Unlike traditional methods that align single point for each feature, this method can provide alignments for complete feature areas. This could help users to create more reasonable intermediate morphing results with preserved topological features. This skeleton featuring framework could potentially be extended to automatic features alignment for geometries with similar topologies. The skeleton extracted could also be applied for other applications such as skeleton-based animations. The 3D remeshing algorithm with spherical mesh subdivision is developed to generate a common connectivity for different mesh models. This method is derived from the concept of spherical mesh subdivision. The local recursive subdivision can be set to match the desired LOD (level of details) for source spherical mesh. Such LOD is controllable and this allows various outputs with different resolutions. Such recursive subdivision then follows by a triangular correction process which ensures valid triangulations for the remeshing. And the final mesh merging and reconstruction process produces the remeshing model with desired LOD specified from user. Usually the final merged model contains all the geometric details from each model with reasonable amount of vertices, unlike other existing methods that result in big amount of vertices in the merged model. Such multi-resolution outputs with controllable LOD could also be applied in various other computer graphics applications such as computer games

Mathematical foundations of adaptive isogeometric analysis

This paper reviews the state of the art and discusses recent developments in the field of adaptive isogeometric analysis, with special focus on the mathematical theory. This includes an overview of available spline technologies for the local resolution of possible singularities as well as the state-of-the-art formulation of convergence and quasi-optimality of adaptive algorithms for both the finite element method (FEM) and the boundary element method (BEM) in the frame of isogeometric analysis (IGA)

Self-adaptive isogeometric spatial discretisations of the first and second-order forms of the neutron transport equation with dual-weighted residual error measures and diffusion acceleration

As implemented in a new modern-Fortran code, NURBS-based isogeometric analysis (IGA) spatial discretisations and self-adaptive mesh refinement (AMR) algorithms are developed in the application to the first-order and second-order forms of the neutron transport equation (NTE). These AMR algorithms are shown to be computationally efficient and numerically accurate when compared to standard approaches. IGA methods are very competitive and offer certain unique advantages over standard finite element methods (FEM), not least of all because the numerical analysis is performed over an exact representation of the underlying geometry, which is generally available in some computer-aided design (CAD) software description. Furthermore, mesh refinement can be performed within the analysis program at run-time, without the need to revisit any ancillary mesh generator. Two error measures are described for the IGA-based AMR algorithms, both of which can be employed in conjunction with energy-dependent meshes. The first heuristically minimises any local contributions to the global discretisation error, as per some appropriate user-prescribed norm. The second employs duality arguments to minimise important local contributions to the error as measured in some quantity of interest; this is commonly known as a dual-weighted residual (DWR) error measure and it demands the solution to both the forward (primal) and the adjoint (dual) NTE. Finally, convergent and stable diffusion acceleration and generalised minimal residual (GMRes) algorithms, compatible with the aforementioned AMR algorithms, are introduced to accelerate the convergence of the within-group self-scattering sources for scattering-dominated problems for the first and second-order forms of the NTE. A variety of verification benchmark problems are analysed to demonstrate the computational performance and efficiency of these acceleration techniques.Open Acces

Blending liquids

We present a method for smoothly blending between existing liquid animations. We introduce a semi-automatic method for matching two existing liquid animations, which we use to create new fluid motion that plausibly interpolates the input. Our contributions include a new space-time non-rigid iterative closest point algorithm that incorporates user guidance, a subsampling technique for efficient registration of meshes with millions of vertices, and a fast surface extraction algorithm that produces 3D triangle meshes from a 4D space-time surface. Our technique can be used to instantly create hundreds of new simulations, or to interactively explore complex parameter spaces. Our method is guaranteed to produce output that does not deviate from the input animations, and it generalizes to multiple dimensions. Because our method runs at interactive rates after the initial precomputation step, it has potential applications in games and training simulations

Non-rigid registration of 2-D/3-D dynamic data with feature alignment

In this work, we are computing the matching between 2D manifolds and 3D manifolds with temporal constraints, that is we are computing the matching among a time sequence of 2D/3D manifolds. It is solved by mapping all the manifolds to a common domain, then build their matching by composing the forward mapping and the inverse mapping. At first, we solve the matching problem between 2D manifolds with temporal constraints by using mesh-based registration method. We propose a surface parameterization method to compute the mapping between the 2D manifold and the common 2D planar domain. We can compute the matching among the time sequence of deforming geometry data through this common domain. Compared with previous work, our method is independent of the quality of mesh elements and more efficient for the time sequence data. Then we develop a global intensity-based registration method to solve the matching problem between 3D manifolds with temporal constraints. Our method is based on a 4D(3D+T) free-from B-spline deformation model which has both spatial and temporal smoothness. Compared with previous 4D image registration techniques, our method avoids some local minimum. Thus it can be solved faster and achieve better accuracy of landmark point predication. We demonstrate the efficiency of these works on the real applications. The first one is applied to the dynamic face registering and texture mapping. The second one is applied to lung tumor motion tracking in the medical image analysis. In our future work, we are developing more efficient mesh-based 4D registration method. It can be applied to tumor motion estimation and tracking, which can be used to calculate the read dose delivered to the lung and surrounding tissues. Thus this can support the online treatment of lung cancer radiotherapy