NANO TECHNOLOGY: MOLECULAR SIMULATION

Guruprasad P Yennikoppa, Ravi Katukam

Abstract: Laboratories throughout the world are trying to gain atomically precise control over the matter. This is because all materials are made up of atoms. Material behavior can be easily tracked by analyzing atomic behavior. Also studying at an atomic level help us in resolving problems which are due to atomic level phenomenon like crack propagation. Material model of atoms help in solving many industrial applications such as nanocutting of material, fracture and crack propagation, material deformation including corrosion ete.In this study a brief literature about molecular dynamics simulation is explained. Using this and the existing models an algorithm is framed for a general molecular dynamics simulation in 3-dimension. The same code with some modifications is used to study the behavior of molecules to explain nanocutting in materials and finding mechanical properties of material using molecular dynamics simulation

Keywords: Nano technology, Molecular Simulation, Nano Cutting, Mechanical Properties

DOI: https://doi.org/10.15623/ijret.2015.0424002