Edge effects on the melting process of two-dimensional hexagonal boron nitride

The edge effects on the melting process of hexagonal boron nitride (h-BN) are studied using molecular dynamics simulation. First, the free-standing h-BN configuration containing 10,000 atoms is studied with different armchair/zigzag edge ratios to see the influence of armchair and zigzag edges of the initial configuration on the phase transition process from a crystal to a liquid state. Then, the number of atoms in this critical armchair/zigzag ratio configuration increases to find the standard number of atoms in the initial configuration. Next, the atomic melting mechanism and the phase transition temperature from crystal to liquid of the critical initial free-standing h-BN configuration are studied. Following, the armchair h-BN nanoribbon is created from the critical initial free-standing h-BN configuration to study the melting process and the atomic melting mechanism from crystal to liquid. Finally, the edge effects on the melting process are shown.