The 9th International Conference on Multiscale Materials Modeling

Presentation information

Symposium

G. Modeling Mechanical Behavior of Materials under Harsh Environments

[SY-G4] Symposium G-4

Wed. Oct 31, 2018 4:00 PM - 4:45 PM Room8

Chairs: Keonwook Kang(Yonsei University, Korea), Byeongchan Lee(KyungHee Univ., Korea)

[SY-G4] Weighted Voronoi Tessellation for metallic glasses by molecular dynamics and powder packing by discrete element method

Junyoung Park1, Jaehee Lyu1, Shibutani Yoji2 (1.Dept. of Mechanical Design Engineering, Kumoh National Institute of Technology, Korea, 2.Dept. of Mechanical Engineering, Osaka University, Japan)

Voronoi tessellation technique, or also called as Voronoi analysis, has been quite widely adopted to describe the internal structure of materials from molecular level such as short-range order of icosahedra on metallic glasses to centimeter-order powder level such as occupied volume on powder packing. Especially, Voronoi tessellation technique is applied to the investigations by molecular dynamics or discrete element method. In the ordinary Voronoi tessellation technique, a face is placed halfway between equal-sized atoms or particles. However, as the size of particles or atoms in single material are not same, bisection cannot depict the exact plane to represent a convex polyhedron including an atom or a particle. Moreover, packed particles in an vessel usually has a Gaussian particle size distribution for natural powders and a Rosin-Rammler particle size distribution for pulverized powders. It is not just a problem for size distribution. It makes a huge difference on estimation of occupied volume and number of faces by atoms or particles. Therefore, we suggest an alternative way, Radical Plane Method, to solve these problems in this paper. It shows that the error of results could reach up to 60% differences.