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Unit of study_

AMME5271: Computational Nanotechnology

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.

Code AMME5271
Academic unit Aerospace, Mechanical and Mechatronic
Credit points 6
Assumed knowledge:
Understanding of basic principles of Newtonian mechanics, physics and chemistry, fluid mechanics and solid mechanics

At the completion of this unit, you should be able to:

  • LO1. calculate properties of materials such as simple fluids and polymer melts, solids, explore structure-property relations in various situations
  • LO2. understand specific processes stated in the aims and goals, and apply it to specific problems
  • LO3. relate the microscopic state of materials to their macroscopic properties such as stresses, temperature, strain and viscosity. They will learn how to set up simulations of materials and probe their properties, interpret the results from visualised molecular snapshots
  • LO4. understand basic and advanced theory of molecular dynamics simulation techniques such as force potentials for modelling fluids and solids, statistical analysis and accuracy, and advanced algorithms of high performance computations
  • LO5. be familiar with available scientific software for computational nanotechnology and will learn how to use software and conduct their projects
  • LO6. prepare reports and present their findings in a professional manner
  • LO7. work within a group to conduct research and share work load to achieve common objectives.

Unit outlines

Unit outlines will be available 2 weeks before the first day of teaching for the relevant session.