In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of martensitic transformations and analyze the results in order to:

• Describe the atomistic process of martensitic, solid-solid phase transitions
• Compare different martensitic alloys, their crystal structures, orientation relationships, and their transformation paths
• Describe differences between simulation and experiment

This module uses the Nanomaterial Mechanics Explorer: https://nanohub.org/tools/nanomatmech 

Researchers should cite this work as follows:

• Sam Reeve, Alejandro Strachan (2019), "Martensitic Transformations with Molecular Dynamics," https://nanohub.org/resources/30010.

  BibTex | EndNote

1. atomistic modeling and simulation
2. crystal structures
3. martensite
4. materials science
5. molecular dynamics (MD)
6. NCN Group - Materials Science
7. phase transformation
8. phase transitions
9. Simulation