Molecular dynamics study of size, temperature and rate dependent thermomechanical properties of copper nanofilms

Molecular dynamics simulations are performed to study the thermomechanical properties of copper nanofilms at different temperatures and extremely-high loading rates. The results show a drastic temperature softening effect on the film strength and modulus. The increase of strain rate could result in a much higher strength while the modulus is relatively less affected. It is shown, based on the stress results, that the observed “smaller is softer” and “smaller is stronger” behaviors of nanofilms might be due to the surface plasticity and the volumetric dislocations, respectively. It is also found that the thinner a nanofilm, the smaller the thermal expansion coefficient. The present work reveals that the quasistatic thermomechanical properties of bulk copper at room temperature might be inadequate for the continuum-based study of thermomechanical response of copper nanofilms due to ultrafast laser heating.