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Title: Structural characterization of particle systems using spherical harmonics

Many important properties of particulate materials are heavily influenced by the size and shape of the constituent particles. Thus, in order to control and improve product quality, it is important to develop a good understanding of the shape and size of the particles that make up a given particulate material. In this paper, we show how the spherical harmonics expansion can be used to approximate particles obtained from tomographic 3D images. This yields an analytic representation of the particles which can be used to calculate structural characteristics. We present an estimation method for the optimal length of expansion depending on individual particle shapes, based on statistical hypothesis testing. A suitable choice of this parameter leads to a smooth approximation that preserves the main shape features of the original particle. To show the wide applicability of this procedure, we use it to approximate particles obtained from two different tomographic 3D datasets of particulate materials. The first one describes an anode material from lithium-ion cells that consists of sphere-like particles with different sizes. The second dataset describes a powder of highly non-spherical titanium dioxide particles. - Highlights: • Complex particle shapes are described analytically by spherical harmonics expansion. • The optimal lengthmore » of the expansion is estimated for each particle individually. • Characteristics like, e.g., particle surface areas can be calculated efficiently. • The method is applied to two tomographic datasets of particulate materials.« less
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [5] ;  [1] ;  [3]
  1. Deutsche ACCUmotive GmbH & Co. KG, Neue Straße 95, 73230 Kirchheim unter Teck (Germany)
  2. (Germany)
  3. Institute of Stochastics, Ulm University, Helmholtzstraße 18, 89069 Ulm (Germany)
  4. Institute of Applied Materials, Helmholtz-Centre Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany)
  5. Institute for Particle Technology, TU Braunschweig, Volkmaroder Str. 5, 38104 Braunschweig (Germany)
Publication Date:
OSTI Identifier:
22476129
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Characterization; Journal Volume: 106; Other Information: Copyright (c) 2015 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; EXPANSION; HYPOTHESIS; LITHIUM IONS; POWDERS; SIMULATION; SPHERICAL CONFIGURATION; SPHERICAL HARMONICS; SURFACE AREA; TITANIUM OXIDES