Syllabus

Introduction to boundary conditions, ensembles required for deformation. Deformation studies by coding in LAMMPS.
Experiment 1 – Uniaxial tensile deformation
Experiment 2 – Effect of tensile strain rate
Experiment 3 – Effect of temperature- tensile deformation
Experiment 4 – Uniaxial compression test
Experiment 5 – Analysis of deformation mechanism features
Experiment 6 – Pure shear deformation
Experiment 7– Analysis of deformation features during pure shear deformation

To develop codes of deformation: tensile and compression

To investigate the mechanical properties

To Anlyze the defects generated during deformation

1. Predicting the mechanical behavior.
2. Understanding the role of crystal defects.
3. Correlate with the bulk behavior.
4. To determine the deformation mechanisms.
5. To assess the different loading methods on the mechanical properties.
6. Desing the materials with good strength and ductility.

Leasar Richard, Introduction to computational materials science, Cambridge University press