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LAB1 ASSIGNMENT - CRYSTAL STRUCTURE VISUALIZATION MODULE

Each individual is responsible for completing this Crystal Structure Module. We have provided a template to generate your individual four-page report that includes a successful visualization of your design.

1. METAL CRYSTAL STRUCTURES IN SOLID WORKS

As we have discussed in this course, there are several different crystal structures, only a small fraction of which are covered in this class. One challenge in analyzing such structures is visualization; many concepts, including symmetry, interstitial spaces (space in between normally occupied sites), atomic vibrations and their dynamics, and close-packed planes/directions, all depend on our ability to ‘see’ and ‘assemble’ 3D ordered structures. Typically, our approach in materials science involves drawing ball-stick models, as shown in class, or building models in the lab. In mechanical engineering, 3D visualization is crucial for several aspects of design, and modeling software is available.

In this assignment, we combine these visualization objectives with the use of powerful modeling software or AI-assisted tools. The Materials Science topic for this lab is ‘creating metal crystal structures,’ and this will include BCC, FCC, and interstitials.

Software Option               Key Benefits for Students                 Detailed Instructions

SolidWorks Excellent for students (especially those in Mechanical Engineering) looking to build foundational Computer-Aided Design (CAD) skills that are highly valuable for Co-Op portfolios and future careers. Appendix A

VESTA Free, cross-platform (PC and Mac friendly), and often more intuitive for students without an affinity for CAD, as it is designed specifically for crystallographic visualization. Appendix B

Claude AI-assisted tool that helps students quickly generate, refine, and understand crystal structure visualizations and unit-cell descriptions without requiring prior CAD or crystallography software experience. Appendix C

Export to Sheets

SolidWorks is a powerful tool, and there is usually more than one method to accomplish any task; however, absolutely no prior knowledge of SolidWorks or VESTA is required to complete this lab module. We ask each student to do this part of the lab as individuals rather than in a group, as these are valuable skills.

Note on 3D Printing: If you choose to use SolidWorks, your final output will include an .STL file (Stereolithography), which is the standard file format used for 3D printing an actual physical model of your structure. While this is a cool demonstration of your work, 3D printing the model is NOT required for this assignment.

2. TASKS

The objective of this module is to use your chosen software to successfully model and analyze the primary cubic crystal structures.

2.1 CREATE THE BCC CRYSTAL STRUCTURE

Follow the directions listed on the ‘Creating a BCC Crystal Structure Guide’ below (refer to Appendix A, B, or C).

2.2 CREATE THE FCC CRYSTAL STRUCTURES

With what you know now, create the FCC Crystal Structure.

2.3 INSERT AN INTERSTITIAL ATOM (MIND THE GAP!)

Smaller interstitial atoms can be driven into the gaps within these metallic structures (such as carbon atoms diffusing into iron crystal structures to make steel). You will start learning about interstitial spaces as we begin talking about ceramic crystal structures in class.

Let’s investigate how much space there really is.

a. Save your BCC and FCC crystal structures as new files.

b. Insert a single interstitial atom into the tetrahedral interstitial of each structure.

c. Generate additional files and instead insert the interstitial atom into the octahedral interstitial. Make these atoms aslarge asthey can be without overlapping the metalatoms.

2.4 CHARACTERIZE YOUR STRUCTURES

For the BCC and FCC structures you created, answer the following five characterizations, including the required visual or calculation for each:

a. Include a screenshot of the structure you created. Note: Make the unit cell wire-framed to guide the eye.

b. Show how you calculated the lattice parameter?

c. Which is the most packed plane in Miller-Bravais (e.g., {hkl})? Include a visual of the cross-section of this plane that clearly showsthe atomstouching.

d. What is the Atomic Packing Factor (APF)? Show calculation.

e. Take two screenshots showing the placement of the octahedral and tetrahedral interstitialatoms.

2.5 GENERATE AN .STL FILE THAT CAN BE USED TO 3D PRINT YOUR STRUCTURES

Follow the directions on ‘How to 3D print your structure’. Note: You can send your file to the Snell Library forprinting (SolidWorks only).

2.6 GENERATE YOUR INDIVIDUAL 4 PAGE REPORT SUBMISSION

Page 1 – Title page that has your name, lab section, and your best graphic.

Page 2 – Entitled ‘BCC structure’. Containsthe five characterizations (a-e) for the BCCStructure.

Page 3 – Entitled ‘FCC structure’. Containsthe five characterizations(a-e) for the FCCStructure.

Page 4 – Screenshots(images) of your structuresfrom your generated output file. (.STL from SolidWorks or another suitable format from VESTA).

Note: Everybody hasto turn in his/her own Solid Works report. Only one copy of the Solid Works Reportis required.