Estimation of Particle Location in Granular Materials Based on Graph Neural Networks

Micromachines (Basel). 2023 Mar 23;14(4):714. doi: 10.3390/mi14040714.

Abstract

Particle locations determine the whole structure of a granular system, which is crucial to understanding various anomalous behaviors in glasses and amorphous solids. How to accurately determine the coordinates of each particle in such materials within a short time has always been a challenge. In this paper, we use an improved graph convolutional neural network to estimate the particle locations in two-dimensional photoelastic granular materials purely from the knowledge of the distances for each particle, which can be estimated in advance via a distance estimation algorithm. The robustness and effectiveness of our model are verified by testing other granular systems with different disorder degrees, as well as systems with different configurations. In this study, we attempt to provide a new route to the structural information of granular systems irrelevant to dimensionality, compositions, or other material properties.

Keywords: coordinate prediction; distance estimation algorithm; distance information; graph convolutional network; particle locations; two-dimensional photoelastic granular materials.