Using all atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few atomic layer CdS shell on the ZnS nanowire leads to a significant change in the stiffness of the core/shell nanowires compared to the stiffness of pure ZnS nanowires. The binding energy between the core and shell region decreases due to the lattice mismatch at the core-shell interface. This reduction in binding energy plays an important role in determining the stiffness of a core/shell nanowire. We have also investigated the effects of the shell on the thermal conductivity and melting behavior of the nanowires.
@article{arxiv.1503.04417,
title = {Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires},
author = {Taraknath Mandal and Chandan Dasgupta and Prabal K. Maiti},
journal= {arXiv preprint arXiv:1503.04417},
year = {2015}
}