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Simulation of Heat Affected Zone Martensite Tempering using Molecular Dynamics in LAMMPS

Hassan Rezayat
Department of Mechanical, Aerospace & Biomedical Engineering, University of Tennessee

This page shows the result from Molacular Dynamics simulation of a Fe-C system using LAMMPS.

In martensitic steels, the root cause for heat affected zone softening and resultant degradation in local mechanical properties is attributed to martensite decomposition into softer structure with ferrite and cementite, due to thermal cycles. In this work, we studied the effect of heating cycle on martensite tempering using a three-dimensional MD simulation for an Iron-Carbon system with 1.48wt.%C. Modified embedded-atom method (MEAM) for Fe-C was used. Results showed that carbon atoms get activate by increasing temperature. A migration of carbon atoms was not observed for this system.

Interactive Structure


Color Legend:

  • Gray = Carbon atoms
  • Gold = Iron atoms

posted: April 2016.