Teilprojekt P1 – Chemistry at the Crack Tip

Third Party Funds Group - Sub project

Overall project details

Overall project: Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)

Overall project speaker:
Prof. Dr.-Ing. Paul Steinmann (Lehrstuhl für Technische Mechanik)

Project Details

Project leader:
Prof. Dr. Bernd Meyer
Prof. Dr.-Ing. Erik Bitzek

Project members:
Prof. Dr. Bernd Meyer
Prof. Dr.-Ing. Erik Bitzek

Contributing FAU Organisations:
Professur für Computational Chemistry
Professur für Werkstoffwissenschaften (Simulation und Werkstoffeigenschaften)
Zentralinstitut für Scientific Computing (ZISC)

Funding source: DFG / Graduiertenkolleg (GRK)
Acronym: GRK2423 - P1
Start date: 02/01/2019
End date: 30/06/2023

Abstract (technical / expert description):

The chemical environment can critically affect the fracture processes,
leading to subcritical crack growth. The inner surfaces of
the cracks are covered by adsorbates from the surrounding liquid or gas
phase. When bonds break in the course of crack propagation, these
adsorbates strongly react with the newly created surfaces, for example,
by saturating the broken bonds. Examples are stress corrosion cracking
in metals and semiconductors or the moisture-driven crack growth in
silica. In both cases, the crack propagation induces and drives the
incorporation of oxygen species, leading to an oxidation/hydroxylation
of the inner surfaces, which completely alters the chemistry at the
crack tip.

In this project we propose to study the complex interplay between bond
breaking at the crack tip and the adsorption/bond saturation with
molecules from the environment by MD simulations. The aim is to obtain
mechanistic insights into environmentally-assisted fracture for model
ceramic materials.

Last updated on 2018-16-08 at 14:15