Impact Behavior in T-carbon Nanostructures: A Molecular Dynamics Study

RH Zhou and CJ Huang and MS Wu, INTERNATIONAL JOURNAL OF APPLIED MECHANICS, 17, 2550050 (2025).

DOI: 10.1142/S1758825125500504

The mechanisms governing the impact resistance of T-carbon nanostructures remain inadequately understood. This study employs molecular dynamics simulations to systematically investigate the effects of impact speed and temperature on the impact resistance of T-carbon nanostructures. Analysis of atomic coordination numbers reveals that the T-carbon undergoes a phase transition from sp3 to sp2 hybridization under impact loading. This structural transformation results in a deformed nanostructure with a high proportion of sp2 bonds, which imparts exceptional resistance to impact loading along the 100, 110 and 111 crystallographic orientations. The results further show that increasing impact speed and temperature promotes a higher proportion of sp2 hybridization, which is intrinsically linked to the fracture behavior of the tetrahedral units in T-carbon nanostructures. Additionally, at high temperatures, the tetrahedral structure becomes loose and the tetrahedrons are easily broken when the inter-tetrahedron bond angles are slightly deformed, which promotes phase transition. These findings provide valuable insights and a strategic framework for designing next-generation carbon-based materials with superior impact resistance.

Return to Publications page