MRS Proceedings


Atomistic Modeling of Shock Loading in SiC Ceramics

2012 Multiscale Materials Modeling Conference.

Paulo S. Branicioa1 and Jingyun Zhanga1

a1 Institute of High Performance Computing, Agency for Science, Technology and Research 1 Fusionopolis Way, 16-16 Connexis 138622, Singapore.


Large scale molecular-dynamics simulations of plane shock loading in SiC are performed to reveal the interplay between shock-induced compaction, structural phase transformation (SPT) and plastic deformation. The shock profile is calculated for a wide range of particle velocity from 0.1 km/s to 6.0 km/s. Single crystalline models indicate no induced plasticity or SPT for shock loading below 2.0 km/s. For intermediate particle velocity, between 2.0 km/s and 4.5 km/s the generated shock wave splits into an elastic precursor and a zinc blende to rocksalt structural transformation wave. That is induced by the increase in shock pressure to over 90 GPa and results in a steep increase of density from 3.21 g/cm3 to ∼4.65 g/cm3. For particle velocity greater than 4.5 km/s a single overdriven transformation shock wave is generated. These simulation results provide an atomistic view of the dynamic effects of shock impact on single crystal high-strength ceramics.

Key Words:

  • phase transformation;
  • simulation;
  • crystal