Melting 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 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

Credits

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

References

Another learning module uses a different simulation tool (https://nanohub.org/tools/matsimtk), but is otherwise very similar:

Strachan, A. Melting via molecular dynamics simulations. https://nanohub.org/resources/22025

Cite this work

Researchers should cite this work as follows:

  • Sam Reeve, Alejandro Strachan (2019), "Melting with molecular dynamics," http://nanohub.org/resources/30012.

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