Machine Learning Characterization of Structural Defects in Amorphous Packings of Dimers and Ellipses

Abstract: Structural defects within amorphous packings of symmetric particles can be characterized using a machine learning approach that incorporates structure functions of radial distances and angular arrangement. This yields a scalar field, \emph{softness}, that correlates with the probability that a particle is about to rearrange. However, when particle shapes are elongated, as in the case of dimers and ellipses, we find the standard structure functions produce imprecise softness measurements. Moreover, ellipses exhibit deformation profiles in stark contrast to circular particles. In order to account for effects of orientation and alignment, we introduce new structure functions to recover predictive performance of softness, as well as provide physical insight to local and extended dynamics. We study a model disordered solid, a bidisperse two-dimensional granular pillar, driven by uniaxial compression and composed entirely of monomers, dimers, or ellipses. We demonstrate how the computation of softness via support vector machine extends to dimers and ellipses with the introduction of new orientational structure functions. Then, we highlight the spatial extent of rearrangements and defects, as well as their cross-correlation, for each particle shape. Finally, we demonstrate how an additional machine learning algorithm, recursive feature elimination, provides an avenue to better understand how softness arises from particular structural aspects. We identify the most crucial structure functions in determining softness and discuss their physical implications.