Molecular dynamics simulation of nanoindentation

Michielsen K, Figge MT, De Raedt H, De Hossen JTM (2004) Molecular dynamics simulation of nanoindentation In: Computer simulation studies incondensed-matter physics XVI pp. 250-255.Springer-Verlag, Berlin Heidelberg. ISBN: 978-3-642-63923.


Molecular dynamics simulations are used to investigate the nucleation and dynamics of dislocations during nanoindentation of a (111) FCC plane. The core structure around the dislocation is visualized by coloring the atoms with deviating coordination number and its Burgers vector is automatically determined. Discontinuities in the load-depth curves are related to the nucleation of edge dislocation dipoles (loading) and the annihilation of dislocations (unloading).

Involved Units and Groups

doi: 10.1007/978-3-642-59293-5_31