Dislocation Structure and Propagation with Molecular Dynamics

By Sam Reeve1; Alejandro Strachan2

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

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Teaching Materials

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Abstract

In this computational lab you will learn about dislocations via online molecular dynamics (MD) simulations using nanoHUB. The simulations involve various types of dislocations in FCC and BCC crystals. During the learning module you will be able to:

  • Distinguish edge and screw dislocations in FCC and BCC crystals
  • Understand the propagation of both pure dislocation types, including Burger’s vector, line direction, and slip plane

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), "Dislocation Structure and Propagation with Molecular Dynamics," https://nanohub.org/resources/30006.

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Tags

  1. atomistic modeling and simulation
  2. crystals
  3. dislocations
  4. materials science
  5. molecular dynamics (MD)
  6. NCN Group - Materials Science
  7. Simulation