I have performed MD-simulation to study the dislocation density variation during Uniaxial tensile loading in Copper polycrystals. The dislocation density is of the magnitude of X 10^17 which is significantly higher than the theoretical values . What is the reason behind it ?
Two comments on this:
- The purpose of this forum is to discuss the usage and development of the LAMMPS MD code. NOT to explain your simulation results to you. So a post like this is off-topic. This is a topic for a discussion with your adviser. It would be on-topic if you had a more specific proof that some functionality of LAMMPS is not acting as documented.
- Regardless of the on/off-topic nature of your question, it is also impossible to make an assessment of your simulation results on such a vague description. How can we know that you have not computed the values wrong (e.g. mixed up the units) or whether your simulation(s) was/were done properly in the first place?