Modeling Dislocation-Stacking Fault Interaction Using Molecular Dynamics

In a number of fcc materials such as copper or aluminum, as well as more complex materials such as twinning induced plasticity (TWIP) steels, the interaction between dislocations and other defects such as stacking faults or twins plays an important role in the hardening behavior of such materials. Interactions of dislocation and twin or stacking fault layers have been studied in this work using molecular dynamics. Depending on the material and the loading conditions, possible interaction modes include (i) penetration of the dislocation into the faulted layer, (ii) reduction of the faulted layer after interaction, (iii) growth of the faulted layer after interaction. Such studies up to this point have been performed without temperature control near zero K (0 to 2 K). In this work, we extend the previous studies to higher temperature with the help of two methods, both based on molecular dynamics (MD) modeling. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim