Ductile and Brittle Failure in Metals 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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Abstract

In this computational lab you will perform online molecular dynamics (MD) simulations of nanoscale cracks under uniaxial tension through nanoHUB. Simulations with varying temperature and crystal structure will provide information to:

  • Distinguish the atomistic mechanisms of ductile and brittle failure and the relationship with temperature
  • Examine changes in crack propagation with crack length

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), "Ductile and Brittle Failure in Metals with Molecular Dynamics," https://nanohub.org/resources/30008.

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Tags

  1. atomistic modeling and simulation
  2. crack propagation
  3. crystals
  4. damage and failure of materials
  5. materials science
  6. molecular dynamics (MD)
  7. NCN Group - Materials Science
  8. Simulation