/Mat-Sci-Vesta

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Mat-Sci-Vesta

Assignments of CH3052-Material Science for Chemical Engineers course, Spring 2021. Apart from the theoritical questions, contains the following operations in Vesta(and associated data manipulations):

  • Part-1 Basics (Question-1):
    1. Hiding longer bonds
    2. Ball and Stick & Polyhedral Modes
    3. Identifying the Unit Cell
    4. Generating planes and identifying atoms
    5. Generating family of planes
    6. Identifying cell parameters, bond distances and bond lengths
  • Part-2 X-Ray Diffraction (Question-4):
    1. Generating XRD data
    2. Computing hkl associated with each peak from generated XRD data
    3. Computing parameters a (and also dhkl) from XRD
    4. Comparison with experimental XRD