Mo nanocluster under high pressure: A molecular dynamics study

We have also calculated the melting points of the (Mo)N nanoclusters at different exerted pressures in good agreement with the previous MD results. Our investigations showed that the enthalpy change of melting (ΔHm) decreases as the external pressure increases. It is also shown that the ΔHm increases as the nanocluster size increases. For the first time, using Clausius-Clapeyron equation, the volume change of melting (ΔVm) for the different nanoclusters has been calculated. Our results showed that the ΔVm decreases with increasing the external pressure. It is also shown that the ΔVm for the smaller cluster is greater than the bigger cluster.