banner MD simulation of crack propagation in brittle crystals

118094 - Introduction to Computational Physics - Fall 2012/13
Liron Ben-Bashat Bergman
Overview Theory Setup Results Manual

The dynamics of crack propagation in brittle crystals is studied.

The model material chosen is silicon crystal for its almost idealy brittle behavior. The crack propagates along the low energy {110}<110> cleavage system.

The simulation is an MD atomistic simulation executed by LAMMPS.
The kinetic energy and strain energy release rate are extracted from the MD results and calculated by fracture mechanics equations.

Project results are compared to previous MD results from IMD simulations conducted by Dr. Fouad Atrash for credibility check of the boundary conditions chosen using LAMMPS.