Implementing van der Waals forces for polytope particles in DEM simulations of clay

¹ Tokyo University of Marine Science and Technology, Department of Marine Resources and Energy, Tokyo, Japan
² Japan Agency for Marine-Earth Science and Technology, Center for Mathematical Science and Advanced Technology, Yokohama, Japan
³ Tsukuba University, Department of Engineering Mechanics and Energy, Tsukuba, Japan
⁴ The University of Electro-Communications, Department of Mechanical and Intelligent Systems Engineering, Chofu, Japan

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Published online: 1 December 2025

Abstract

Clay minerals are non-spherical nano-scale particles that usually form flocculated, house-of-card like structures under the influence of inter-molecular forces. Numerical modeling of clays is still in its infancy as the required inter-particle forces are available only for spherical particles. A polytope approach would allow shape-accurate forces and torques while simultaneously being more performant. The Anandarajah solution provides an analytical formulation for van der Waals forces for cuboid particles but in its original form is not suitable for implementation in DEM simulations. In this work, we discuss the necessary changes for a functional implementation of the Anandarajah solution in a DEM simulation of rectangular particles and their extension to cuboid particles.