Molecular dynamics simulation of mechanical polishing

Abstract

Mechanical polishing, a nano-finishing process is extensively used for generating smooth surfaces on engineering materials. The mechanism of mechanical polishing is extremely complex due to its random nature of material removal at atomic scale. The need for a better understanding of the process at atomic scale is therefore necessary. Hence, molecular dynamics simulation (MDS) was carried out to understand the behaviour of material removal on two different types of engineering materials viz. aluminium and silicon. In the present work, material removal of rough asperities was modelled and simulated by abrading them with abrasive particles. It was observed that the nanometric abrasion occurs through adhesion de-bonding principle, recoverable phase transformation occurs during the nanometric abrasion on aluminium, and the non-crystalline debris formation during polishing of silicon as brittle crystalline structures. In addition, other attributes are also discussed such as force, stress, chemical stability, effect of abrasive particle, and temperature.