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Just another WordPress site - Ruhr-Universität Bochum

ICAMS
M.Sc. Isabel Pietka

Doctoral Candidate

Department: Atomistic Modelling and Simulation

Group: Atomistic Simulation of Structural and Phase Stability

ICAMS

Contact

ICAMS
Ruhr-Universität Bochum
IC 02-577
Universitätsstr. 150
44801 Bochum

Tel.: +49 234 32 19033
E-Mail: isabel.pietka@rub.de

Research

ICAMS 2021

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

Publications
  • 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)
Talks and Posters
  • 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
Software

  • strucscan
    Python-based framework for high-throughput material simulation
    https://github.com/ICAMS/strucscan
Short CV

Education

2019. M.Sc., Physics, Ruhr-Universität Bochum

2017. B.Sc., Physics, Ruhr-Universität Bochum

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