Application of Procrustes Distance to Shape Analysis of Delaunay Simplexes

The concept of Procrustes distance is applied to the shape analysis of the Delaunay simplexes. Procrustes distance provides a measure of coincidence of two point sets {xi} and {yi}, i=1..N. For this purpose the variance of point deviations is calculated at the optimal superposition of the sets. It allows to characterize the shape proximity of a given simplex to shape of a reference one, e.g. to the shape of the regular tetrahedron. This approach differs from the method used in physics, where the variations of edge lengths are calculated in order to characterize the simplex shape. We compare both methods on an example of structure analysis of dense packings of hard spheres. The method of Procrustes distance reproduces known structural results; however, it allows to distinguish more details because it deals with simplex vertices, which define the simplex uniquely, in contrast to simplex edges.

[1]  Tomaso Aste,et al.  Volume fluctuations and geometrical constraints in granular packs. , 2006, Physical review letters.

[2]  V. P. Voloshin,et al.  Void space analysis of the structure of liquids , 2002 .

[3]  Nikolai N. Medvedev,et al.  Geometrical analysis of the structure of simple liquids : percolation approach , 1991 .

[4]  David G. Kendall,et al.  Shape & Shape Theory , 1999 .

[5]  Nikolai N. Medvedev,et al.  Can Various Classes of Atomic Configurations (Delaunay Simplices) be Distinguished in Random Dense Packings of Spherical Particles , 1989 .

[6]  S. Umeyama,et al.  Least-Squares Estimation of Transformation Parameters Between Two Point Patterns , 1991, IEEE Trans. Pattern Anal. Mach. Intell..

[7]  François Guibault,et al.  An analysis of simplex shape measures for anisotropic meshes , 2005 .

[8]  Marina L. Gavrilova,et al.  A Novel Delaunay Simplex Technique for Detection of Crystalline Nuclei in Dense Packings of Spheres , 2005, ICCSA.

[9]  P. Debenedetti,et al.  Computational investigation of order, structure, and dynamics in modified water models. , 2005, The journal of physical chemistry. B.

[10]  N. N. Medvedev,et al.  Shape of the Delaunay simplices in dense random packings of hard and soft spheres , 1987 .

[11]  Iosif I. Vaisman,et al.  Delaunay Tessellation of Proteins: Four Body Nearest-Neighbor Propensities of Amino Acid Residues , 1996, J. Comput. Biol..

[12]  Robert B. Fisher,et al.  Estimating 3-D rigid body transformations: a comparison of four major algorithms , 1997, Machine Vision and Applications.

[13]  T. K. Carne,et al.  Shape and Shape Theory , 1999 .

[14]  Rikard Berthilsson,et al.  A Statistical Theory of Shape , 1998, SSPR/SPR.

[15]  H. Scott Fogler,et al.  Modeling flow in disordered packed beds from pore‐scale fluid mechanics , 1997 .