Just another WordPress site - Ruhr-Universität Bochum

Doctoral Candidate
Department: Atomistic Modelling and Simulation
Group: Atomistic Simulation of Structural and Phase Stability
ICAMS
ICAMS
Ruhr-Universität Bochum
IC 02-577
Universitätsstr. 150
44801 Bochum
Tel.: +49 234 32 19033
E-Mail: isabel.pietka@rub.de
Research
In my project, I focus on the influence of defects and interfaces on the structural stability in Ni-based superalloys and model the electronic structure by utilizing atomistic simulation methods. This includes high-throughput and large-scale simulations employing ab-initio methods, analytic bond-order potentials, and molecular dynamics. As a part of project C1 of SFB / TR 103 I investigate the effect of refractory elements on extended defects on extended defects in Ni-based superalloys.
Competences
Large-scale simulations
Atomistic modelling
Bond-order potentials
Structural trends superalloys
First-principle calculation
Molecular dynamics
- I. Pietka, R. Drautz, T. Hammerschmidt
strucscan: a lightweight Python-based framework for high-throughput material simulation. Journal of Open Source Software, 7, 4719, (2022)
- 06.12.2021
Isabel Pietka, Ralf Drautz, Thomas Hammerschmidt
Partitioning of transition metals to the γ and γ’ phase of Co-based superalloys
4th Young Material Researchers' day, Bochum, Germany - 01.11.2021
Isabel Pietka, Mariano Forti, Aparna Subramanyam, Alesya Burakovskaya, et al.
Modelling of extended defects in superalloys
Young Researchers Meeting, Kloster Irsee, Germany
- strucscan
Python-based framework for high-throughput material simulation
https://github.com/ICAMS/strucscan
Education
2019. M.Sc., Physics, Ruhr-Universität Bochum
2017. B.Sc., Physics, Ruhr-Universität Bochum