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Topology of vibrational modes predicts plastic events in glasses.

Zhen Wei WuYixiao ChenWei-Hua WangWalter KobLimei Xu
Published in: Nature communications (2023)
The plastic deformation of crystalline materials can be understood by considering their structural defects such as disclinations and dislocations. Although also glasses are solids, their structure resembles closely the one of a liquid and hence the concept of structural defects becomes ill-defined. As a consequence it is very challenging to rationalize on a microscopic level the mechanical properties of glasses close to the yielding point and to relate plastic events to structural properties. Here we investigate the topological characteristics of the eigenvector field of the vibrational excitations of a two-dimensional glass model, notably the geometric arrangement of the topological defects as a function of vibrational frequency. We find that if the system is subjected to a quasistatic shear, the location of the resulting plastic events correlate strongly with the topological defects that have a negative charge. Our results provide thus a direct link between the structure of glasses prior their deformation and the plastic events during deformation.
Keyphrases
  • density functional theory
  • molecular dynamics simulations
  • energy transfer
  • ionic liquid
  • molecular dynamics