Course Details
Subject {L-T-P / C} : MM4423 : Atomistic Modelling of Materials Laboratory { 0-0-2 / 1}
Subject Nature : Practical
Coordinator : Prof. Natraj Yedla
Syllabus
Modeling, simulation length scales and time scales. Molecular dynamics (MD) simulations: principles, methodology, and applications.
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
Course Objectives
- To learn basics of modeling: length scales, time scales and methods.
- To use molecular dynamics simulations: principles, methodology, applications.
- To code using LAMMPS software
Course Outcomes
1. Prediction of material properties: structure <br />2. Development of alloys.
Essential Reading
- Leasar Richard, Introduction to computational materials science, Cambridge University press
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Supplementary Reading
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