M.Sc. Abril Azócar GuzmánDoctoral Candidate
Group: Mechanical Properties of interfaces
Department of Micromechanical and Macroscopic ModellingICAMS
Tel. +49 234 32 22434
Fax: +49 234 32 14984
Email: Abril Azócar Guzmán
Structure of theΣ5(310) iron symmetrical tilt grain boundary (GB). GB monolayer is occupied with either carbon or hydrogen (orange).
I'm a materials science engineer working with ab initio calculations to bridge the gap between mechanical properties and atomic structure. Currently, my research project is focused on the co-segregation of C and H to bcc Fe grain boundaries. Specifically, how the solution energies of the C and H atoms change under mechanical load and different concentrations. This is achieved by performing ab initio tensile tests, using spin polarized density functional theory (DFT) calculations. Another aspect I'm interested in, is the computational and technical workflows of using such techniques on DFT.
Grain boundary segregation
DFT calculations, mechanical properties of interfaces