How Surface Governs Vibration-Induced Degradation of Glass Structure: A View from Molecular Dynamics

Silica glass has been widely used in various fields, including optics, manufacturing, and aerospace, due to its excellent properties. However, mechanical fields encountered during services will lead to the performance degradation or even failure. These remain not fully understood due to the limitations of experimental techniques and the disordered structures of glass and their complex responses. In this study, characteristics of structural responses and evolution mechanisms under the vibration field are systematically analyzed through MD simulations. Fourier transform of the RMSD, as well as the reduced pair distribution function, G(r), have been applied to analyze the glass structure. In addition, the vibration field can induce significant alterations to the structural order, especially for the surface models. These changes manifest as the enhanced high-frequency vibrations, loosened local structures, and rearranged ring topologies, leading to progressive order degradation within the network. This study provides an insight into structural transformations in glass under complex mechanical environments.