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
                                
                                                       Overview


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 a low energy cleavage system in Si which is the {110}<110> system.

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

Project results will be compared with past results achieved from IMD simulations conducted by Dr. Fouad Atrash for credibility check of the boundary conditions chosen using LAMMPS.