Dresden 2020 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 64: Mechanical Properties: Plasticity, fracture, fatigue, wear - II
MM 64.4: Talk
Thursday, March 19, 2020, 18:15–18:30, IFW B
In silico experiments on mechanics of TiN/AlN superlattices: an MD study — •Lukas Löfler1, Matthias Bartosik2, Paul Heinz Mayrhofer2, and David Holec1 — 1Montanuniversität Leoben — 2TU Wien
Nitride-based thin films are commonly used to protect components from harsh environments and high loading occurring in modern applications. A way to improve the mechanical properties of such coatings is to carefully design the microstructure. For instance, combining two materials in a coherent multilayer arrangement with layer thicknesses in the nm range (termed *superlattice*) can enhance both hardness and fracture toughness; two material properties that often seem to be mutually exclusive.
Utilizing molecular dynamics (MD), indentation and tensile loading simulations were performed to investigate the mechanical response of AlN/TiN superlattices on different loading scenarios. For the indentation, a spherical object was gradually moved into the coating displacing atoms. For the tensile loading, the atoms at the top and bottom of the coating were moved so to apply axial tension. For both setups, the forces, stresses and the nucleation of dislocations were analyzed. To gain more insight into the nucleation process of the dislocations, different cores and their structures were calculated for the most common slip systems.