Melting with Molecular Dynamics

By Sam Reeve1, Alejandro Strachan2

1. Lawrence Livermore National Lab, Livermore, CA 2. Materials Engineering, Purdue University, West Lafayette, IN

Published on


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

  • Understand the process of melting at atomic scales
  • Identify effects of surfaces and specimen size
  • Describe differences between simulation and experiment


This module uses the Nanomaterial Mechanics Explorer: 


Another learning module uses a different simulation tool (, but is otherwise very similar:

Strachan, A. Melting via molecular dynamics simulations.

Cite this work

Researchers should cite this work as follows:

  • Sam Reeve, Alejandro Strachan (2019), "Melting with Molecular Dynamics,"

    BibTex | EndNote