Course Details
Subject {L-T-P / C} : MM4425 : Moleular Modelling of Materials Deformation behavior Laboratory { 0-0-3 / 2}
Subject Nature : Practical
Coordinator : Prof. Natraj Yedla
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
Course Objectives
- To develop codes of deformation: tensile and compression
- To investigate the mechanical properties
- To Anlyze the defects generated during deformation
Course Outcomes
1. Predecting the mechanical behavior <br />2. Undestanding the role of crystal defects. <br />3. Correlate with the bulk behavior.
Essential Reading
- Leasar Richard, Introduction to computational materials science, Cambridge University press
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Supplementary Reading
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