Syllabus

Experiment 1 – Creation of cylindrical and spherical particles
Experiment 2 – Melting of cylindrical and spherical particles
Experiment 3 – Quenching of cylindrical and spherical particles
Experiment 4 – Creation of cylindrical and spherical particles with center void
Experiment 5 – Quenching of cylindrical and spherical particles with center void
Experiment 6 – Creation of binary alloys and ternary alloys

Creating and studying the materials models at the nanoscale scale.

1. To create atomic models of crystalline metals of different shapes and sizes: spherical, cylindrical, cube, cuboid nanoparticles
2. To introduce 1-D,2-D ,3-D defects.
3. To programme heat treatment processess: equilibrium and non-equilibrium
4. To model single, multi-component alloy systems.
5. To understand the mechanisms through atomic displacements.
6. To understand the behavior of materials through atomic displacements.

Lee, J. G,, Computational materials science: an introduction, CRC press, 2016

LeSar, R,, Introduction to computational materials science: fundamentals to applications,, Cambridge University Press, 2013