Molecular dynamics simulation of frictional properties of Pt cluster on graphite under load

Structural lubricity, characterized by nearly frictionless behavior at solid incommensurate interfaces with weak interactions, holds significant technological importance. However, various factors can lead to the breakdown of structural such as spontaneous reorientation a commensurate state, applied load, edge effects, deformations, and wear. To overcome these challenges, clusters be employed interfaces. With their high Young’s modulus stiffness, withstand loads tolerate elastic deformations. Therefore, Pt cluster, which inherently possess contact graphite surface, are expected exhibit superlubric behavior, even under loads, long they sustain contact. Our molecular dynamics (MD) simulations, however, have revealed that cluster on undergo metastable transitions from state resulting in subsequent stick-slip behavior. In absence any external has demonstrated ability maintain almost zero friction force, primarily attributed its interaction graphite. presence an load force leads loss initial between graphite, emergence forces lubricity similar observed comparative simulations conducted for state. It becomes evident maintenance is crucial achieving cluster-graphite systems, while disrupt this higher forces.