| Project UID | CORE11 |
|---|---|
| Course | MM219: Structure of Materials |
| Project Department | Mechanical Engineering |
| Title of Project | Developing Software Program to Visualise Space Groups in 3D |
| Name of Professor | Abhijeet L. Sangle |
| Year of Study Criteria | Both 2nd Year and 3rd Year UGs |
| Project Description | The project would involve creating a software program using CAD suits such as (AutoCAD, SketchUp, Onshape, etc.) or any other suitable platform to develop interactive 3D models of space groups to depict the various symmetry elements, asymmetric units, relations between various Wycoff positions using examples from existing crystallographic literature data. Furthermore, the final product may be hosted on a website where the user can enter the space-group notation/number or simply chemical composition if known, and the 3D model will be displayed which can be interacted with (e.g., rotating, moving in space, changing perspectives, displaying symmetry elements, asymmetric units, etc.) The project can be further enhanced by adding the impact of point/space group symmetry on tensors of various material properties. A few examples of the proposed outcome of the project exist (e.g., symotter.org, Mercury, Vesta) with varying degrees of capabilities, though a one-stop solution would be beneficial for researchers as well as learners of the broader field of Materials Science. |
| Concepts Required | Pretty much everything including symmetry elements, point/space groups, structure-property relationships, etc. |
| Learning Outcomes | When implemented fully, the project could lead to the development of a single-stop solution to study crystallography and understand structure-property relationships (similar to, but different in some ways symotter.org) |
| Expectations From Students | Should have a good grasp of the concepts of symmetry, point, and space groups; should be willing to learn and dabble in new things; strong inclination/prior experience in software programming/CAD modeling is a plus. |
| Things To Note | The project to execute in its entirety (, i.e., 3D visualization of all 230 space groups with a few examples for every group) can be daunting and even infeasible to complete in a single semester. But, a piece-by-piece or gradual approach with the first batch of students developing some aspects in one semester, followed by the second batch building on top of that, etc. could work. Of course, due credit for the efforts put in would be given in the documentation for the project. |
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