ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Interaction of C and Si at interfaces in bainitic steels

In this project we are investigating on the one hand the role of Si in the solubility and diffusion properties of C in different phases and at different phase and grain boundaries as they occur in nanobainitic steels by ab-initio density functional theory calculations. Combined with experimental data this shall lead to a better understanding of the C partitioning during the austenite-ferrite phase transformation. On the other hand we characterize elastic properties and strength of the most important configurations to identify likely crack nucleation sites and understand the crack paths observed experimentally. In the second step we will investigate the influence of alloying elements on the abovementioned properties.

Ferrite supercell containing interstitial C, substitutional Si and a vacancy.

This project is part of the EU project MECBAIN, funded by the research fund for coal and steel (RFCS), RFSPR-11019.

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