Martensitic transformations with molecular dynamics

By Sam Reeve1, Alejandro Strachan2

1. Lawrence Livermore National Lab 2. Purdue University

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Abstract

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

Credits

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

Cite this work

Researchers should cite this work as follows:

  • Sam Reeve, Alejandro Strachan (2019), "Martensitic transformations with molecular dynamics," http://nanohub.org/resources/30010.

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