Influence of different configurations of Fe nanoparticles on the melting point: a molecular dynamics simulation

Molecular dynamics simulation is used to explore the changes in melting point of Fe nanomaterials under different initial configurations. What reveals in this simulation is that an S-curve with different curvature appears in the diagram owing to the hindering of total energy supply in larger damping coefficient by changing the temperature-damping coefficient (T-damp). In addition, the change in simulated theoretical melting points are found by comparing the initial configurations of different particles under the same conditions.