Nowadays the recent growing interest for nanotechnology leads us to want to understand the materials at nano-scale. This thesis aims to deepen into the materials mechanical properties from a molecular point of view. Molecular Dynamics (MD) is the simulation tecnique that is going to be used to understand molecules behavior. The software that uses this kind of simulation is called Lammps and during this thesis we will see how to perform a simulation to extract the elastic constants and other mechanical properties. In order to get a real and useful simulation, a copper nanowire is going to be performed with this program, from which its Young’s Modulus is going to be find and used to describe the mechanical properties.

Outgoing