This course introduces atomistic computational techniques used in modern engineering to understand phenomena and predict material properties, behaviour, structure and interactions at nano-scale. The advancement of nanotechnology and manipulation of matter at the molecular level have provided ways for developing new materials with desired properties. The miniaturisation at the nanometre scale requires an understanding of material behaviour which could be much different from that of the bulk. Computational nanotechnology plays a growingly important role in understanding mechanical properties at such a small scale. The aim is to demonstrate how atomistic level simulations can be used to predict the properties of matter under various conditions of load, deformation and flow. The course covers areas mainly related to fluid as well as solid properties, whereas, the methodologies learned can be applied to diverse areas in nanotechnology such as, liquid-solid interfaces, surface engineering, nanorheology, nanotribology and biological systems. This is a course with a modern perspective for engineers who wish to keep abreast with advanced computational tools for material characterisation at the atomic scale.
Through semester assessment (100%)
Understanding of basic principles of Newtonian mechanics, physics and chemistry, fluid mechanics and solid mechanics. General knowledge of how to operate a computer and work with different software is also required.