Possibilities and limitations of convolutional neural network machine learning architectures in the characterisation of achiral orthogonal smectic liquid crystals

Abstract

Machine learning is becoming a valuable tool in the characterisation and property prediction of liquid crystals. It is thus worthwhile to be aware of the possibilities but also the limitations of current machine learning algorithms. In this study we investigated a phase sequence of isotropic – fluid smecticA – hexatic smectic B – soft crystal CrE – crystalline. This is a sequence of transitions between orthogonal phases, which are expected to be difficult to distinguish, because of only minute changes in order. As expected, strong first order transitions such as the liquid to liquid crystal transition and the crystallisation can be distinguished with high accuracy. It is shown that also the hexatic SmB to soft crystal CrE transition is clearly characterised, which represents the transition from short- to long-range order. Limitations of convolutional neural networks can be observed for the fluid to hexatic SmA to SmB transition, where both phases exhibit short-range ordering.