Classifying the age of a glass based on structural properties: A machine learning approach
Giulia Janzen, C. Smit, Samantha Visbeek, Vincent E. Debets, Chengjie Luo, Cornelis Storm, Simone Ciarella, Liesbeth M. C. Janssen
Abstract
It is well established that physical aging of amorphous solids is governed by a marked change in dynamical properties as the material becomes older. Conversely, structural properties such as the radial distribution function exhibit only a very weak age dependence, usually deemed negligible with respect to the numerical noise. Here we demonstrate that the extremely weak age-dependent changes in structure are, in fact, sufficient to reliably assess the age of a glass with the support of machine learning. We employ a supervised learning method to predict the age of a glass based on the system's instantaneous radial distribution function. Specifically, we train a multilayer perceptron for a model glass former quenched to different temperatures and find that this neural network can accurately classify the age of our system across at least 4 orders of magnitude in time. Our analysis also reveals which structural features encode the most useful information. Overall, this work shows that through the aid of machine learning, a simple structure-dynamics link can, indeed, be established for physically aged glasses.